Structure of Fullerenes
- Stuffing Improves the Stability of Fullerenelike Boron Clusters
Dasari L. V. K. Prasad and Eluvathingal D. Jemmis
Phys. Rev. Lett. 100, 165504 (2008)
- Erratum: B80 Fullerene : An Ab Initio Prediction of Geometry, Stability, and Electronic Structure [Phys. Rev. Lett. 98, 166804 (2007)]
Nevill Gonzalez Szwacki, Arta Sadrzadeh, and Boris I. Yakobson
Phys. Rev. Lett. 100, 159901 (2008)
- Resonant Electron Heating and Molecular Phonon Cooling in Single C60 Junctions
G. Schulze, K. J. Franke, A. Gagliardi, G. Romano, C. S. Lin, A. L. Rosa, T. A. Niehaus, Th. Frauenheim, A. Di Carlo, A. Pecchia, and J. I. Pascual
Phys. Rev. Lett. 100, 136801 (2008)
- Modifying the endohedral La-ion location in both neutral and positively charged polyhydroxylated metallofullerenes
J. G. Rodríguez-Zavala, I. Padilla-Osuna, and R. A. Guirado-López
Phys. Rev. B 78, 155426 (2008)
- Electron transfer and localization in endohedral metallofullerenes : Ab initio density functional theory calculations
Shenyuan Yang, Mina Yoon, Christian Hicke, Zhenyu Zhang, and Enge Wang
Phys. Rev. B 78, 115435 (2008)
- Theoretical study of the electronic structure of fullerene -cubane cocrystals
V. Zólyomi, J. Koltai, J. Kürti, and S. Pekker
Phys. Rev. B 78, 115405 (2008)
- Vibrational stability and electronic structure of a B80 fullerene
Tunna Baruah, Mark R. Pederson, and Rajendra R. Zope
Phys. Rev. B 78, 045408 (2008)
- Effect of packing on the cohesive and electronic properties of methanofullerene crystals
J. M. Nápoles-Duarte, M. Reyes-Reyes, J. L. Ricardo-Chavez, R. Garibay-Alonso, and R. López-Sandoval
Phys. Rev. B 78, 035425 (2008)
- Room-temperature dissociative hydrogen chemisorption on boron-doped fullerenes
Hoonkyung Lee, Jia Li, Gang Zhou, Wenhui Duan, Gunn Kim, and Jisoon Ihm
Phys. Rev. B 77, 235101 (2008)
- Face-centered-cubic B80 metal: Density functional theory calculations
Qing-Bo Yan, Qing-Rong Zheng, and Gang Su
Phys. Rev. B 77, 224106 (2008)
- High-pressure phase transition in Rb6C60
R. Poloni, G. Aquilanti, P. Toulemonde, S. Pascarelli, S. Le Floch, D. Machon, D. Martinez-Blanco, G. Morard, and A. San-Miguel
Phys. Rev. B 77, 205433 (2008)
- Formation of silicon-fullerene -linked nanowires inside carbon nanotubes: A molecular-dynamics and first-principles study
Kengo Nishio, Taisuke Ozaki, Tetsuya Morishita, and Masuhiro Mikami
Phys. Rev. B 77, 201401 (2008)
- Looking underneath fullerenes on Au(110): Formation of dimples in the substrate
M. Hinterstein, X. Torrelles, R. Felici, J. Rius, M. Huang, S. Fabris, H. Fuess, and M. Pedio
Phys. Rev. B 77, 153412 (2008)
- High-pressure stability of Cs6C60
R. Poloni, D. Machon, M. V. Fernandez-Serra, S. Le Floch, S. Pascarelli, G. Montagnac, H. Cardon, and A. San-Miguel
Phys. Rev. B 77, 125413 (2008)
- High-symmetry low-energy structures of C60H60 and related fullerenes and nanotubes
Aristides D. Zdetsis
Phys. Rev. B 77, 115402 (2008)
- Geometries, stabilities, and reactions of carbon clusters: Towards a microscopic theory of fullerene formation
Yusuke Ueno and Susumu Saito
Phys. Rev. B 77, 085403 (2008)
- Electronic and optical properties of polyicosahedral Si nanostructures : A first-principles study
Kengo Nishio, Taisuke Ozaki, Tetsuya Morishita, Wataru Shinoda, and Masuhiro Mikami
Phys. Rev. B 77, 075431 (2008)
- Local transport gap in C60 nanochains on a pentacene template
D. B. Dougherty, W. Jin, W. G. Cullen, G. Dutton, J. E. Reutt-Robey, and S. W. Robey
Phys. Rev. B 77, 073414 (2008)
- First-principles study of interaction of molecular hydrogen with Li-doped carbon nanotube peapod structures
Li Chen, Yiming Zhang, Nikhil Koratkar, Puru Jena, and Saroj K. Nayak
Phys. Rev. B 77, 033405 (2008)
- Positron scattering from C20
Ralph Carey, Robert R. Lucchese, and F. A. Gianturco
Phys. Rev. A 78, 012706 (2008)
- B80 Fullerene : An Ab Initio Prediction of Geometry, Stability, and Electronic Structure
Nevill Gonzalez Szwacki, Arta Sadrzadeh, and Boris I. Yakobson
Phys. Rev. Lett. 98, 166804 (2007)
- High-symmetry high-stability silicon fullerenes : A first-principles study
Aristides D. Zdetsis
Phys. Rev. B 76, 075402 (2007)
- Structure and properties of computer-simulated fullerene -based ultralow- k dielectric materials
K. Zagorodniy, H. Hermann, and M. Taut
Phys. Rev. B 75, 245430 (2007)
- High-temperature formation of concentric fullerene -like structures within foam-like carbon: Experiment and molecular dynamics simulation
D. W. Lau, D. G. McCulloch, N. A. Marks, N. R. Madsen, and A. V. Rode
Phys. Rev. B 75, 233408 (2007)
- Structural and electronic properties of the fullerene isomers of Si38 : A systematic theoretical study
Zacharias G. Fthenakis, Remco W. Havenith, Madhu Menon, and Patrick W. Fowler
Phys. Rev. B 75, 155435 (2007)
- Hydrogenated caged clusters of Si, Ge, and Sn and their endohedral doping with atoms: Ab initio calculations
Vijay Kumar and Yoshiyuki Kawazoe
Phys. Rev. B 75, 155425 (2007)
- Simulations on the effects of confinement and Ni-catalysis on the formation of tubular fullerene structures from peapod precursors
Haibin Su, Robert J. Nielsen, Adri C. T. van Duin, and William A. Goddard III
Phys. Rev. B 75, 134107 (2007)
- Effect of encapsulated atoms on the electronic structure of the fullerene cage: A case study on La2@C78 and Ti2C2@C78 via ultraviolet photoelectron spectroscopy
Shojun Hino, Masayuki Kato, Daisuke Yoshimura, Hiroe Moribe, Hisashi Umemoto, Yasuhiro Ito, Toshiki Sugai, Hisanori Shinohara, Minoru Otani, Yoshihide Yoshimoto, and Susumu Okada
Phys. Rev. B 75, 125418 (2007)
- Identification of fullerene -like CdSe nanoparticles from optical spectroscopy calculations
Silvana Botti and Miguel A. Marques
Phys. Rev. B 75, 035311 (2007)
- Polymerization of the rotor-stator compound C60 -cubane under pressure
A. Iwasiewicz-Wabnig, B. Sundqvist, É. Kováts, I. Jalsovszky, and S. Pekker
Phys. Rev. B 75, 024114 (2007)
- First- and second-electron affinities of C60 and C70 isomers
Henning Zettergren, Manuel Alcamí, and Fernando Martín
Phys. Rev. A 76, 043205 (2007)
- Effect of symmetry on the electronic structure of spheroidal fullerenes in a weak uniform magnetic field
M. Pudlak, R. Pincak, and V. A. Osipov
Phys. Rev. A 75, 065201 (2007)
- Electronic structure of spheroidal fullerenes in a weak uniform magnetic field: A continuum field-theory model
M. Pudlak, R. Pincak, and V. A. Osipov
Phys. Rev. A 75, 025201 (2007)
- Structural , Electronic, and Chemical Properties of Nanoporous Carbon
Johan M. Carlsson and Matthias Scheffler
Phys. Rev. Lett. 96, 046806 (2006)
- Influence of local fullerene orientation on the electronic properties of Na2AC60 (A=Cs,Rb,K) compounds
Péter Matus, Henri Alloul, György Kriza, Véronique Brouet, Philip M. Singer, Slaven Garaj and László Forró
Phys. Rev. B 74, 214509 (2006)
- Carbon films obtained from fullerenes deposited on germanium: Experimental and simulated results
E. B. Halac, A. G. Dall'Asén, E. Burgos, and M. Reinoso
Phys. Rev. B 74, 174104 (2006)
- Electron-electron correlations in fullerene C60 probed by incoherent scattering of x rays
C. Petrillo, F. Sacchetti, A. Orecchini, R. De Renzi, and M. Ricco
Phys. Rev. B 74, 085404 (2006)
- Filling factor and electronic structure of Dy3N@C80 filled single-wall carbon nanotubes studied by photoemission spectroscopy
H. Shiozawa, H. Rauf, T. Pichler, M. Knupfer, M. Kalbac, S. Yang, L. Dunsch, B. Büchner, D. Batchelor, and H. Kataura
Phys. Rev. B 73, 205411 (2006)
- Electronic structure of pristine and potassium-doped Y@C82 metallofullerene
C. Ton-That, A. G. Shard, V. R. Dhanak, H. Shinohara, J. S. Bendall, and M. E. Welland
Phys. Rev. B 73, 205406 (2006)
- Adsorption of fullerenes Cn (n=32,36,40,44,48,60) on the GaAs(001)-c(4×4) reconstructed surface
Chenggang Zhou, Jinping Wu, Bo Han, Shujuan Yao, and Hansong Cheng
Phys. Rev. B 73, 195324 (2006)
- Photoemission and inverse photoemission study of the electronic structure of C60 fullerenes encapsulated in single-walled carbon nanotubes
H. Shiozawa, H. Ishii, H. Kihara, N. Sasaki, S. Nakamura, T. Yoshida, Y. Takayama, T. Miyahara, S. Suzuki, Y. Achiba, T. Kodama, M. Higashiguchi, X. Y. Chi, M. Nakatake, K. Shimada, H. Namatame, M. Taniguchi, and H. Kataura
Phys. Rev. B 73, 075406 (2006)
- Dynamical core-hole screening in the x-ray absorption spectra of graphite, C60 , and carbon nanotubes: A first-principles electronic structure study
O. Wessely, O. Eriksson, and M. I. Katsnelson
Phys. Rev. B 73, 075402 (2006)
- Lowest-energy endohedral fullerene structures of SiN (30â
Li Ma, Jijun Zhao, Jianguang Wang, Baolin Wang, and Guanghou Wang
Phys. Rev. A 73, 063203 (2006)
- Fullerene in a Metal-Organic Matrix: Design of the Electronic Structure
S. Hamel, V. Timoshevskii, and M. Côté
Phys. Rev. Lett. 95, 146403 (2005)
- Structures of Si and Ge Nanowires in the Subnanometer Range
R. Kagimura, R. W. Nunes, and H. Chacham
Phys. Rev. Lett. 95, 115502 (2005)
- Direct Imaging of the Alkali Metal Site in K-Doped Fullerene Peapods
L. Guan, K. Suenaga, Z. Shi, Z. Gu, and S. Iijima
Phys. Rev. Lett. 94, 045502 (2005)
- Monte Carlo based modeling of carbon nanostructured surfaces
T. C. Petersen, I. K. Snook, I. Yarovsky, and D. G. McCulloch
Phys. Rev. B 72, 125417 (2005)
- First-principles investigation of Au-covered carbon fullerenes
R. J. C. Batista, M. S. C. Mazzoni, L. O. Ladeira, and H. Chacham
Phys. Rev. B 72, 085447 (2005)
- Electronic structures of the pristine and K-intercalated Tm3 N@ C80 endohedral fullerenes
X. Liu, M. Krause, J. Wong, T. Pichler, L. Dunsch, and M. Knupfer
Phys. Rev. B 72, 085407 (2005)
- Real-space electronic-structure calculations with a time-saving double-grid technique
T. Ono and K. Hirose
Phys. Rev. B 72, 085115 (2005)
- ( C6 H5 )5 C60 H at Si (111) - (7 x 7) and Ag:Si (111) - (sqrt[3] x sqrt[3]) R30
M. A. Phillips, J. N. O’Shea, P. R. Birkett, J. Purton, H. W. Kroto, D. R. M. Walton, R. Taylor, and P. Moriarty
Phys. Rev. B 72, 075426 (2005)
- Hyperdiamond and hyperlonsdaleit: Possible crystalline phases of fullerene C28
G. Seifert, A. N. Enyashin, and T. Heine
Phys. Rev. B 72, 012102 (2005)
- Metallic phase in the metal-intercalated higher fullerene Rb8.8(7) C84
Y. Rikiishi, Y. Kashino, H. Kusai, Y. Takabayashi, E. Kuwahara, Y. Kubozono, T. Kambe, T. Takenobu, Y. Iwasa, N. Mizorogi, S. Nagase, and S. Okada
Phys. Rev. B 71, 224118 (2005)
- Chemisorption of C28 fullerene on c (4 x 4) reconstructed GaAs(001) surface: A density functional theory study
S. Yao, C. Zhou, L. Ning, J. Wu, Z. Pi, H. Cheng, and Y. Jiang
Phys. Rev. B 71, 195316 (2005)
- Energetics and packing of fullerenes in nanotube peapods
M. Yoon, S. Berber, and D. Tománek
Phys. Rev. B 71, 155406 (2005)
- Well-shielded cerium atoms: Electronic structure of adsorbed Ce@ C82 on Si surfaces
K. Schulte, L. Wang, P. J. Moriarty, J. Purton, S. Patel, H. Shinohara, M. Kanai, and T. J. S. Dennis
Phys. Rev. B 71, 115437 (2005)
- Molecular dynamics simulation of the growth of thin films by deposition of carbon atoms and C60 molecules on diamond and silicon substrates
E. B. Halac, M. Reinoso, A. G. Dall’Asén, and E. Burgos
Phys. Rev. B 71, 115431 (2005)
- Stabilizing the silicon fullerene Si20 by thorium encapsulation
A. K. Singh, V. Kumar, and Y. Kawazoe
Phys. Rev. B 71, 115429 (2005)
- Optimally stuffed fullerene structures of silicon nanoclusters
J. Wang, X. Zhou, G. Wang, and J. Zhao
Phys. Rev. B 71, 113412 (2005)
- In situ photoelectron spectroscopy investigation of silicon cluster growth on fullerene surfaces
P. Reinke and P. Oelhafen
Phys. Rev. B 71, 045420 (2005)
- C60 single domain growth on indium phosphide and its reaction with atomic hydrogen
M. Eremtchenko, S. Döring, R. Temirov, and J. A. Schaefer
Phys. Rev. B 71, 045410 (2005)
- Observation of Ordered Phases of Fullerenes in Carbon Nanotubes
A. N. Khlobystov, D. A. Britz, A. Ardavan, and G. A. D. Briggs
Phys. Rev. Lett. 92, 245507 (2004)
- Thermal Contraction of Carbon Fullerenes and Nanotubes
Y.-K. Kwon, S. Berber, and D. Tománek
Phys. Rev. Lett. 92, 015901 (2004)
- Atomistic versus two-body central potential models of C60: A comparative molecular dynamics study
M. C. Abramo, C. Caccamo, D. Costa, G. Pellicane, and R. Ruberto
Phys. Rev. E 69, 031112 (2004)
- Density functional calculations for C60 peapods
O. Dubay and G. Kresse
Phys. Rev. B 70, 165424 (2004)
- Electron-phonon interactions in C28 -derived molecular solids
N. A. Romero, J. Kim, and R. M. Martin
Phys. Rev. B 70, 140504 (2004)
- Resolution of the binding configuration in nitrogen-doped carbon nanotubes
L. H. Chan, K. H. Hong, D. Q. Xiao, T. C. Lin, S. H. Lai, W. J. Hsieh, and H. C. Shih
Phys. Rev. B 70, 125408 (2004)
- Rigid crystalline phases of polymerized fullerenes
S. Berber, E. Osawa, and D. Tománek
Phys. Rev. B 70, 085417 (2004)
- Self-assembled alkali and alkaline earth metal nanopatterns on Fe3 O4 ( 001 )
G. Mariotto, S. F. Ceballos, S. Murphy, N. Berdunov, C. Seoighe, and I. V. Shvets
Phys. Rev. B 70, 035417 (2004)
- Tantalum-fullerene clusters: A first-principles study of static properties and dynamical behavior
L. M. Ramaniah, M. Boero, and M. Laghate
Phys. Rev. B 70, 035411 (2004)
- First-principles study of the effect of charge on the stability of a diamond nanocluster surface
N. Park, S. Park, N.-M. Hwang, J. Ihm, S. Tejima, and H. Nakamura
Phys. Rev. B 69, 195411 (2004)
- Structure and transport properties of isomer-separated C82
Y. Kubozono, Y. Rikiishi, K. Shibata, T. Hosokawa, S. Fujiki, and H. Kitagawa
Phys. Rev. B 69, 165412 (2004)
- Density modes in spherical 4He shells
M. Barranco, E. S. Hernández, R. Mayol, and M. Pi
Phys. Rev. B 69, 134502 (2004)
- Anomalous endohedral structure of Gd@C82 metallofullerenes
E. Nishibori, K. Iwata, M. Sakata, M. Takata, H. Tanaka, H. Kato, and H. Shinohara
Phys. Rev. B 69, 113412 (2004)
- Structure and energetics of polyhydroxylated carbon fullerenes
J. G. Rodríguez-Zavala and R. A. Guirado-López
Phys. Rev. B 69, 075411 (2004)
- Computer simulation study of the ground-state structures of singly ionized clusters of C60 molecules
C. Rey, J. García-Rodeja, and L. J. Gallego
Phys. Rev. B 69, 073404 (2004)
- Phase transitions and cooperative Jahn-Teller effects in fullerene anions
J. L. Dunn
Phys. Rev. B 69, 064303 (2004)
- Rotation, translation, charge transfer, and electronic structure of C60 on Cu(111) surface
L.-L. Wang and H.-P. Cheng
Phys. Rev. B 69, 045404 (2004)
- Confinement resonances in photoelectron angular distributions from endohedral atoms
M. Ya. Amusia, A. S. Baltenkov, V. K. Dolmatov, S. T. Manson, and A. Z. Msezane
Phys. Rev. A 70, 023201 (2004)
- Heat-Induced Transformation of Nanodiamond into a Tube-Shaped Fullerene: A Molecular Dynamics Simulation
G.-D. Lee, C. Z. Wang, J. Yu, E. Yoon, and K. M. Ho
Phys. Rev. Lett. 91, 265701 (2003)
- Pair-Ion Plasma Generation using Fullerenes
W. Oohara and R. Hatakeyama
Phys. Rev. Lett. 91, 205005 (2003)
- Resonant Electron Transfer in Collisions between Two Fullerene Ions
H. Bräuning, R. Trassl, A. Diehl, A. Theiß, E. Salzborn, A. A. Narits, and L. P. Presnyakov
Phys. Rev. Lett. 91, 168301 (2003)
- Metastable Frenkel Pair Defect in Graphite: Source of Wigner Energy?
C. P. Ewels, R. H. Telling, A. A. El-Barbary, M. I. Heggie, and P. R. Briddon
Phys. Rev. Lett. 91, 025505 (2003)
- Nucleation of Single-Walled Carbon Nanotubes
X. Fan, R. Buczko, A. A. Puretzky, D. B. Geohegan, J. Y. Howe, S. T. Pantelides, and S. J. Pennycook
Phys. Rev. Lett. 90, 145501 (2003)
- Stabilization of Si60 Cage Structure
Q. Sun, Q. Wang, P. Jena, B. K. Rao, and Y. Kawazoe
Phys. Rev. Lett. 90, 135503 (2003)
- Orbital Hybridization and Charge Transfer in Carbon Nanopeapods
Y. Cho, S. Han, G. Kim, H. Lee, and J. Ihm
Phys. Rev. Lett. 90, 106402 (2003)
- Direct Imaging of Sc2@C84 Molecules Encapsulated Inside Single-Wall Carbon Nanotubes by High Resolution Electron Microscopy with Atomic Sensitivity
K. Suenaga, T. Okazaki, C.-R. Wang, S. Bandow, H. Shinohara, and S. Iijima
Phys. Rev. Lett. 90, 055506 (2003)
- Stability of Small Carbon-Nitride Heterofullerenes
D. Schultz, R. Droppa, Jr., F. Alvarez, and M. C. dos Santos
Phys. Rev. Lett. 90, 015501 (2003)
- Electronic structure and rebonding in the onionlike As@Ni12@As20 cluster
T. Baruah, R. R. Zope, S. L. Richardson, and M. R. Pederson
Phys. Rev. B 68, 241404 (2003)
- Electronic structures of fullerenes and metallofullerenes studied by surface potential analysis
M. Shiraishi, K. Shibata, R. Maruyama, and M. Ata
Phys. Rev. B 68, 235414 (2003)
- Jahn-Teller effects in the fullerene anion C2-60
S. Sookhun, J. L. Dunn, and C. A. Bates
Phys. Rev. B 68, 235403 (2003)
- Fullerene shape transformations via Stone-Wales bond rotations
Y. Zhao, Y. Lin, and B. I. Yakobson
Phys. Rev. B 68, 233403 (2003)
- Resonance and high-pressure Raman studies on carbon peapods
P. M. Rafailov, C. Thomsen, and H. Kataura
Phys. Rev. B 68, 193411 (2003)
- Ab initio calculations of electronic structures, polarizabilities, Raman and infrared spectra, optical gaps, and absorption spectra of M@Si16 (M=Ti and Zr) clusters
V. Kumar, T. M. Briere, and Y. Kawazoe
Phys. Rev. B 68, 155412 (2003)
- Energetics and electronic structures of one-dimensional fullerene chains encapsulated in zigzag nanotubes
M. Otani, S. Okada, and A. Oshiyama
Phys. Rev. B 68, 125424 (2003)
- Defective fullerenes and nanotubes as molecular magnets: An ab initio study
Y.-H. Kim, J. Choi, K. J. Chang, and D. Tománek
Phys. Rev. B 68, 125420 (2003)
- Strongly size-dependent electronic properties in C60-encapsulated zigzag nanotubes and lower size limit of carbon nanopeapods
J. Lu, S. Nagase, S. Zhang, and L. Peng
Phys. Rev. B 68, 121402 (2003)
- Field doping of C60 crystals: Polarization and Stark splitting
S. Wehrli, E. Koch, and M. Sigrist
Phys. Rev. B 68, 115412 (2003)
- Electron-state control of carbon nanotubes by space and encapsulated fullerenes
S. Okada, M. Otani, and A. Oshiyama
Phys. Rev. B 67, 205411 (2003)
- Possibility of Coupling to haloform molecules in intercalated C60
E. Koch and O. Gunnarsson
Phys. Rev. B 67, 161402 (2003)
- Polaron in a one-dimensional C60 crystal
V. R. Belosludov, T. M. Inerbaev, R. V. Belosludov, and Y. Kawazoe
Phys. Rev. B 67, 155410 (2003)
- Erratum: Electronic and transport properties of single-wall carbon nanotubes encapsulating fullerene-based structures [Phys. Rev. B 64, 115409 (2001)]
D.-H. Kim, H.-S. Sim, and K. J. Chang
Phys. Rev. B 67, 129903 (2003)
- Theoretical identification of C20 carbon clusters: Prevalence of the monocyclic isomer and existence of the smallest fullerene and bowl isomer
J. Lu, S. Re, Y.-k. Choe, S. Nagase, Y. Zhou, R. Han, L. Peng, X. Zhang, and X. Zhao
Phys. Rev. B 67, 125415 (2003)
- In situ growth and thermal treatment of nanostructured carbon produced by supersonic cluster beam deposition: An electron spectroscopy investigation
E. Magnano, C. Cepek, M. Sancrotti, F. Siviero, S. Vinati, C. Lenardi, P. Piseri, E. Barborini, and P. Milani
Phys. Rev. B 67, 125414 (2003)
- Structure and electronic states of capped carbon nanotubes by a tight-binding approach
Y. Kasahara, R. Tamura, and M. Tsukada
Phys. Rev. B 67, 115419 (2003)
- Photoemission spectroscopy of clean and potassium-intercalated carbon onions
M. Montalti, S. Krishnamurthy, Y. Chao, Yu. V. Butenko, V. L. Kuznetsov, V. R. Dhanak, M. R. C. Hunt, and L. Siller
Phys. Rev. B 67, 113401 (2003)
- Pressure-induced structural phase transition in fullerides doped with rare-earth metals
D. H. Chi, Y. Iwasa, K. Uehara, T. Takenobu, T. Ito, T. Mitani, E. Nishibori, M. Takata, M. Sakata, Y. Ohishi, K. Kato, and Y. Kubozono
Phys. Rev. B 67, 094101 (2003)
- Contrasting bonding behavior of thiol molecules on carbon fullerene structures
J. C. Mixteco-Sánchez and R. A. Guirado-López
Phys. Rev. A 68, 053204 (2003)
- First-principles studies of the geometry and energetics of the Si36 cluster
Q. Sun, Q. Wang, P. Jena, S. Waterman, and Y. Kawazoe
Phys. Rev. A 67, 063201 (2003)
- Crystal structures and electronic properties of haloform-intercalated C60
R. Windiks, A. Bill, B. Delley, and V. Z. Kresin
Phys. Rev. B 66, 195418 (2002)
- Clustering of H2 molecules encapsulated in fullerene structures
R. E. Barajas-Barraza and R. A. Guirado-López
Phys. Rev. B 66, 155426 (2002)
- Topology and energetics of metal-encapsulating Si fullerenelike cage clusters
T. Miyazaki, H. Hiura, and T. Kanayama
Phys. Rev. B 66, 121403 (2002)
- Structural transition in (C60)n clusters
W. Branz, N. Malinowski, A. Enders, and T. P. Martin
Phys. Rev. B 66, 094107 (2002)
- Optimization of geometrical structure and simulation of the spectra of third-order nonlinear optical polarizabilities in C59Si and C58Si2 heterofullerenes
W.-D. Cheng, D.-S. Wu, H. Zhang, D.-G. Chen, and H.-X. Wang
Phys. Rev. B 66, 085422 (2002)
- Energetics of the formation of dimers and solids of boron nitride fullerenes
S. S. Alexandre, R. W. Nunes, and H. Chacham
Phys. Rev. B 66, 085406 (2002)
- Memory effect in the deposition of C20 fullerenes on a diamond surface
A. J. Du, Z. Y. Pan, Y. K. Ho, Z. Huang, and Z. X. Zhang
Phys. Rev. B 66, 035405 (2002)
- Acoustic and thermal transport properties of hard carbon formed from C60 fullerene
J. C. Lasjaunias, M. Saint-Paul, A. Bilusic, A. Smontara, S. Gradecak, A. M. Tonejc, A. Tonejc, and N. Kitamura
Phys. Rev. B 66, 014302 (2002)
- First-principles calculations of metal stabilized Si20 cages
Q. Sun, Q. Wang, T. M. Briere, V. Kumar, Y. Kawazoe, and P. Jena
Phys. Rev. B 65, 235417 (2002)
- Stability and electronic properties of Si-doped carbon fullerenes
R. Guirado-López
Phys. Rev. B 65, 165421 (2002)
- Raman study of the two-dimensional polymers Na4C60 and tetragonal C60
T. Wågberg and B. Sundqvist
Phys. Rev. B 65, 155421 (2002)
- Generating charge densities of fullerenes
L.-W. Wang
Phys. Rev. B 65, 153410 (2002)
- Mechanisms involved in the formation of onionlike carbon nanostructures synthesized by ion implantation at high temperature
Th. Cabioc
Phys. Rev. B 65, 132103 (2002)
- Si-C bonding in films prepared by heterofullerene deposition
P. Mélinon, X. Blase, P. Kéghélian, A. Perez, C. Ray, M. Pellarin, M. Broyer, and B. Champagnon
Phys. Rev. B 65, 125321 (2002)
- Filling factors, structural, and electronic properties of C60 molecules in single-wall carbon nanotubes
X. Liu, T. Pichler, M. Knupfer, M. S. Golden, J. Fink, H. Kataura, Y. Achiba, K. Hirahara, and S. Iijima
Phys. Rev. B 65, 045419 (2002)
- Electronic structure of periodic curved surfaces: Topological band structure
H. Aoki, M. Koshino, D. Takeda, H. Morise, and K. Kuroki
Phys. Rev. B 65, 035102 (2002)
- Diffraction of Complex Molecules by Structures Made of Light
O. Nairz, B. Brezger, M. Arndt, and A. Zeilinger
Phys. Rev. Lett. 87, 160401 (2001)
- Theoretical Identification of the Smallest Fullerene, C20
M. Saito and Y. Miyamoto
Phys. Rev. Lett. 87, 035503 (2001)
- Solitonic Fullerene Structures in Light Atomic Nuclei
R. A. Battye and P. M. Sutcliffe
Phys. Rev. Lett. 86, 3989 (2001)
- Three-dimensional crystalline carbon: Stable polymers of C20 fullerene
S. Okada, Y. Miyamoto, and M. Saito
Phys. Rev. B 64, 245405 (2001)
- Photoemission study of chemisorption of C60 on InP(100)
Y. Chao, K. Svensson, D. Radosavkic, V. R. Dhanak, L. Siller, and M. R. C. Hunt
Phys. Rev. B 64, 235331 (2001)
- Semiconducting form of the first-row elements: C60 chain encapsulated in BN nanotubes
S. Okada, S. Saito, and A. Oshiyama
Phys. Rev. B 64, 201303 (2001)
- Theoretical study of the structural and electronic properties of two-dimensionally polymerized fullerene clusters with 2, 3, 4, and 7 C60 molecules
J. M. Cabrera-Trujillo and J. Robles
Phys. Rev. B 64, 165408 (2001)
- Electronic structure, bonding nature, and charge transfer in Ba@Si20 and Si20 clusters: An ab initio study
T. Nagano, K. Tsumuraya, H. Eguchi, and D. J. Singh
Phys. Rev. B 64, 155403 (2001)
- Electron diffraction study of one-dimensional crystals of fullerenes
K. Hirahara, S. Bandow, K. Suenaga, H. Kato, T. Okazaki, H. Shinohara, and S. Iijima
Phys. Rev. B 64, 115420 (2001)
- Electronic and transport properties of single-wall carbon nanotubes encapsulating fullerene-based structures
D.-H. Kim, H.-S. Sim, and K. J. Chang
Phys. Rev. B 64, 115409 (2001)
- Electronic structure and optical properties of concentric-shell fullerenes from electron-energy-loss spectroscopy in transmission
T. Pichler, M. Knupfer, M. S. Golden, J. Fink, and T. Cabioc
Phys. Rev. B 63, 155415 (2001)
- Bond formation in titanium fulleride compounds studied through x-ray emission spectroscopy
M. Nyberg, Y. Luo, L. Qian, J.-E. Rubensson, C. Såthe, D. Ding, J.-H. Guo, T. Käämbre, and J. Nordgren
Phys. Rev. B 63, 115117 (2001)
- Ab initio study of silicon-multisubstituted neutral and charged fullerenes
C.-C. Fu, M. Weissmann, M. Machado, and P. Ordejón
Phys. Rev. B 63, 085411 (2001)
- Pressure-induced phase in tetragonal two-dimensional polymeric C60
K. P. Meletov, J. Arvanitidis, E. Tsilika, S. Assimopoulos, G. A. Kourouklis, S. Ves, A. Soldatov, and K. Prassides
Phys. Rev. B 63, 054106 (2001)
- Structure and energetics of boron nitride fullerenes: The role of stoichiometry
S. S. Alexandre, H. Chacham, and R. W. Nunes
Phys. Rev. B 63, 045402 (2001)
- Erratum: Giant multilayer fullerene structures with symmetrically arranged defects [Phys. Rev. B 62, 6979 (2000)]
A. Pérez-Garrido
Phys. Rev. B 63, 039902 (2001)
- Formation mechanism and structural and electronic properties of metal-substituted fullerenes C69M (M=Co, Rh, and Ir)
D. Changgeng, Y. Jinlong, H. Rongsheng, and W. Kelin
Phys. Rev. A 64, 043201 (2001)
- Spontaneous Formation and Stability of Small GaP Fullerenes
V. Tozzini, F. Buda, and A. Fasolino
Phys. Rev. Lett. 85, 4554 (2000)
- Study of C60/Au(110)-p(6 x 5) Reconstruction from In-Plane X-Ray Diffraction Data
M. Pedio, R. Felici, X. Torrelles, P. Rudolf, M. Capozi, J. Rius, and S. Ferrer
Phys. Rev. Lett. 85, 1040 (2000)
- Lowest-energy structure of (C60)n clusters and thermal effects
W. Zhang, L. Liu, J. Zhuang, and Y. Li
Phys. Rev. B 62, 8276 (2000)
- Single atom inside or outside a dielectric or metallic bubble
M. Boustimi, J. Baudon, J. Robert, A. Semlali, and B. Labani
Phys. Rev. B 62, 7593 (2000)
- Giant multilayer fullerene structures with symmetrically arranged defects
A. Pérez-Garrido
Phys. Rev. B 62, 6979 (2000)
- Structures and electronic properties of small carbon nanotube tori
D.-H. Oh, J. Mee Park, and K. S. Kim
Phys. Rev. B 62, 1600 (2000)
- Solid C36 as hexaclathrate form of carbon
M. Menon, E. Richter, and L. Chernozatonskii
Phys. Rev. B 62, 15420 (2000)
- Carbon clusters near the crossover to fullerene stability
P. R. C. Kent, M. D. Towler, R. J. Needs, and G. Rajagopal
Phys. Rev. B 62, 15394 (2000)
- Proof for trivalent Sc ions in Sc2@C84 from high-energy spectroscopy
T. Pichler, Z. Hu, C. Grazioli, S. Legner, M. Knupfer, M. S. Golden, J. Fink, F.M.F. de Groot, M.R.C. Hunt, P. Rudolf, R. Follath, Ch. Jung, L. Kjeldgaard, P. Brühwiler, M. Inakuma, and H. Shinohara
Phys. Rev. B 62, 13196 (2000)
- Electron-phonon interaction in C70
D. Provasi, N. Breda, R. A. Broglia, G. Colò, H. E. Roman, and G. Onida
Phys. Rev. B 61, 7775 (2000)
- Distorted icosahedral cage structure of Si60 clusters
B.-x. Li, P.-l. Cao, and D.-l. Que
Phys. Rev. B 61, 1685 (2000)
- Far-infrared vibrational properties of high-pressure high-temperature C60 polymers and the C60 dimer
V. C. Long, J. L. Musfeldt, K. Kamarás, G. B. Adams, J. B. Page, Y. Iwasa, and W. E. Mayo
Phys. Rev. B 61, 13191 (2000)
- Triangle Scandium Cluster Imprisoned in a Fullerene Cage
M. Takata, E. Nishibori, M. Sakata, M. Inakuma, E. Yamamoto, and H. Shinohara
Phys. Rev. Lett. 83, 2214 (1999)
- Vibrational behavior of Na4C60 in the monomer and two-dimensional polymer states
H. Schober, B. Renker, and R. Heid
Phys. Rev. B 60, 998 (1999)
- Core-hole effects in x-ray-absorption spectra of fullerenes
M. Nyberg, Y. Luo, L. Triguero, L. G. M. Pettersson, and H. Ågren
Phys. Rev. B 60, 7956 (1999)
- Band gap of essentially fourfold-coordinated amorphous diamond synthesized from C60 fullerene
H. Hirai, M. Terauchi, M. Tanaka, and K. Kondo
Phys. Rev. B 60, 6357 (1999)
- Electron-beam-induced fragmentation in ultrathin C60 films on Si(100)-2 x 1-H: Mechanisms of cage destruction
M. R. C. Hunt, J. Schmidt, and R. E. Palmer
Phys. Rev. B 60, 5927 (1999)
- Ultraviolet photoelectron spectra of C100, C110, and potassium-doped C110
K. Iwasaki, K. Umishita, S. Hino, T. Miyamae, K. Kikuchi, and Y. Achiba
Phys. Rev. B 60, 5044 (1999)
- Structural and electronic properties of germanium clathrates Ge46 and K8Ge46
J. Zhao, A. Buldum, J. Ping Lu, and C. Y. Fong
Phys. Rev. B 60, 14177 (1999)
- Fullerene-structured nanowires of silicon
B. Marsen and K. Sattler
Phys. Rev. B 60, 11593 (1999)
- Concentric-shell fullerenes and diamond particles: A molecular-dynamics study
F. Fugaciu, H. Hermann, and G. Seifert
Phys. Rev. B 60, 10711 (1999)
- Field-induced diffusion of gold and related phase transformations in the C60 and C70 fullerenes
L. Firlej, N. Kirova, and A. Zahab
Phys. Rev. B 59, 16028 (1999)
- Electron-Phonon Interactions in Solid C36
M. Côté, J. C. Grossman, M. L. Cohen, and S. G. Louie
Phys. Rev. Lett. 81, 697 (1998)
- Electronic Structure of Small Fullerenes: Evidence for the High Stability of C32
H. Kietzmann, R. Rochow, G. Ganteför, W. Eberhardt, K. Vietze, G. Seifert, and P. W. Fowler
Phys. Rev. Lett. 81, 5378 (1998)
- Fragmentation Partners from Collisional Dissociation of C60
R. Vandenbosch, B. P. Henry, C. Cooper, M. L. Gardel, J. F. Liang, and D. I. Will
Phys. Rev. Lett. 81, 1821 (1998)
- Electronic and structural properties of multiwall carbon nanotubes
Y.-K. Kwon and D. Tománek
Phys. Rev. B 58, R16001 (1998)
- Electronic structure of the singly bonded (C60)x fullerene polymer
P. R. Surján, A. Lázár, and M. Kállay
Phys. Rev. B 58, 3490 (1998)
- Molecular-dynamics study of the Girifalco-model C60 at two high-temperature isotherms
M. C. Abramo and G. Coppolino
Phys. Rev. B 58, 2372 (1998)
- Possible high-pressure phase of diamond
S. Serra, G. Benedek, M. Facchinetti, and L. Miglio
Phys. Rev. B 57, 5661 (1998)
- Erratum: Infrared spectra of one- and two-dimensional fullerene polymer structures: RbC60 and rhombohedral C60 [Phys. Rev. B 55, 10 999 (1997)]
K. Kamarás, Y. Iwasa, and L. Forró
Phys. Rev. B 57, 5543 (1998)
- Fused fullerenes and multiply connected carbon clusters: Proposed new forms of carbon
M. Menon, E. Richter, and K. R. Subbaswamy
Phys. Rev. B 57, 4063 (1998)
- Comment on "Pressure and temperature diagram of polymerized fullerite"
B. Sundqvist
Phys. Rev. B 57, 3164 (1998)
- Continuous growth of higher fullerenes through adducting small carbon clusters and annealing
Y. Xia, Y. Mu, Y. Xing, R. Wang, C. Tan, and L. Mei
Phys. Rev. B 57, 14950 (1998)
- Measurement of Pair Interactions and 1.5
R. M. Macfarlane, G. Wittmann, P. H. M. van Loosdrecht, M. de Vries, D. S. Bethune, S. Stevenson, and H. C. Dorn
Phys. Rev. Lett. 79, 1397 (1997)
- On-Ball Doping of Fullerenes: The Electronic Structure of C59N Dimers from Experiment and Theory
T. Pichler, M. Knupfer, M. S. Golden, S. Haffner, R. Friedlein, J. Fink, W. Andreoni, A. Curioni, M. Keshavarz-K, C. Bellavia-Lund, A. Sastre, J.-C. Hummelen, and F. Wudl
Phys. Rev. Lett. 78, 4249 (1997)
- Intramolecular Charge Disproportionation and the Band Structure of A3C60 Superconductors
A. Ceulemans, L. F. Chibotaru, and F. Cimpoesu
Phys. Rev. Lett. 78, 3725 (1997)
- Concentric carbon structures
E. Pasqualini
Phys. Rev. B 56, 7751 (1997)
- Prediction of the structures of clusters of C60 molecules using an atom-atom interaction potential
J. García-Rodeja, C. Rey, and L. J. Gallego
Phys. Rev. B 56, 6466 (1997)
- Coordination-number defects and ring formulation of fullerenelike clusters produced by C60-C60 collision
Y. Xia, Y. Mu, Y. Xing, C. Tan, and L. Mei
Phys. Rev. B 56, 4979 (1997)
- Charge-transfer range for photoexcitations in conjugated polymer/fullerene bilayers and blends
D. Vacar, E. S. Maniloff, D. W. McBranch, and A. J. Heeger
Phys. Rev. B 56, 4573 (1997)
- Electron-momentum spectroscopy of fullerene
M. Vos, S. A. Canney, I. E. McCarthy, S. Utteridge, M. T. Michalewicz, and E. Weigold
Phys. Rev. B 56, 1309 (1997)
- Quasiperiodic icosahedral graphite sheets and high-genus fullereneswith nonpositive Gaussian curvature
H. Terrones and M. Terrones
Phys. Rev. B 55, 9969 (1997)
- Photoemission and electron-energy-loss-spectroscopy study of C60 monolayers adsorbed on Cs-precovered Au(110) and of bulk distilled CsxC60
M. R. C. Hunt, P. Rudolf, and S. Modesti
Phys. Rev. B 55, 7889 (1997)
- Localization of substrate-induced modification in the electronic structureof C60sat fullerene-metal interfaces
M. R. C. Hunt, P. Rudolf, and S. Modesti
Phys. Rev. B 55, 7882 (1997)
- Clusters and layers of C60 molecules supported on a graphite substrate
C. Rey, J. García
Phys. Rev. B 55, 7190 (1997)
- Dirac-Fock-Slater calculations on the geometric and electronic structure of neutral and multiply charged C60 fullerenes
T. Bastug, P. Kürpick, J. Meyer, W.‐D. Sepp, B. Fricke, and A. Rosén
Phys. Rev. B 55, 5015 (1997)
- Infrared and Raman studies of pressure-polymerized C60s
A. M. Rao, P. C. Eklund, J‐L. Hodeau, L. Marques, and M. Nunez
Phys. Rev. B 55, 4766 (1997)
- Role of ambient gas on laser-ablated plumes for thin carbon film deposition
R. K. Thareja and R. K. Dwivedi
Phys. Rev. B 55, 2600 (1997)
- Infrared spectra of one- and two-dimensional fullerene polymer structures:RbC60 and rhombohedral C60
K. Kamarás, Y. Iwasa, and L. Forró
Phys. Rev. B 55, 10999 (1997)
- Freedom and Constraints of a Metal Atom Encapsulated in Fullerene Cages
W. Andreoni and A. Curioni
Phys. Rev. Lett. 77, 834 (1996)
- First Principles Study of a New Large-Gap Nonoporous Silicon Crystal: Hex-Si40
E. Galvani, G. Onida, S. Serra, and G. Benedek
Phys. Rev. Lett. 77, 3573 (1996)
- Orientation of Adsorbed C60 Molecules Determined via X-Ray Photoelectron Diffraction
R. Fasel, P. Aebi, R. G. Agostino, D. Naumovic, J. Osterwalder, A. Santaniello, and L. Schlapbach
Phys. Rev. Lett. 76, 4733 (1996)
- Low-mass secondary-ion ejection from molecular solids by MeV heavy ions: Radial velocity distributions
R. M. Papaléo, P. Demirev, J. Eriksson, P. Håkansson, and B. U. R. Sundqvist
Phys. Rev. B 54, 3173 (1996)
- Symmetrized projector quantum Monte Carlo studies of the ground state of C60
B. Srinivasan, S. Ramasesha, and H. R. Krishnamurthy
Phys. Rev. B 54, 1692 (1996)
- Structure of polygonal defects in graphitic carbon sheets
S. Ihara, S. Itoh, K. Akagi, R. Tamura, and M. Tsukada
Phys. Rev. B 54, 14713 (1996)
- Scanning tunneling microscopy of C60/Al(111)-6 x 6: Inequivalent molecular sites and electronic structures
M. K. ‐J. Johansson, A. J. Maxwell, S. M. Gray, P. A. Brühwiler, D. C. Mancini, L. S. O. Johansson, and N. Mårtensson
Phys. Rev. B 54, 13472 (1996)
- Structure, dynamics, and phase transitions in the fullerene derivatives C60O and C61H2
C. Meingast, G. Roth, L. Pintschovius, R. H. Michel, C. Stoermer, M. M. Kappes, P. A. Heiney, L. Brard, R. M. Strongin, and A. B. Smith, III
Phys. Rev. B 54, 124 (1996)
- Pressure-induced polymerization of fullerenes: A comparative study of C60 and C70
C. S. Sundar, P. Ch. Sahu, V. S. Sastry, G. V. N. Rao, V. Sridharan, M. Premila, A. Bharathi, Y. Hariharan, T. S. Radhakrishnan, D. V. S. Muthu, and A. K. Sood
Phys. Rev. B 53, 8180 (1996)
- Electron-beam analysis of polymerized KC60
N. G. Chopra, J. Hone, and A. Zettl
Phys. Rev. B 53, 8155 (1996)
- Electronic structures of fullerenes Cn with Ih symmetry and n=20k2
A. C. Tang, F. Q. Huang, and R. Z. Liu
Phys. Rev. B 53, 7442 (1996)
- Variational Hilbert-space-truncation approach to quantum Heisenberg antiferromagnets on frustrated clusters
N. A. Modine and E. Kaxiras
Phys. Rev. B 53, 2546 (1996)
- Structure and energetics of giant fullerenes: An order-N molecular-dynamics study
S. Itoh, P. Ordejón, D. A. Drabold, and R. M. Martin
Phys. Rev. B 53, 2132 (1996)
- Theoretical study of the binding of Na clusters encapsulated in the C240 fullerene
J. M. Cabrera
Phys. Rev. B 53, 16059 (1996)
- Collective excitations of multishell carbon microstructures: Multishell fullerenes and coaxial nanotubes
C. Yannouleas, E. N. Bogachek, and U. Landman
Phys. Rev. B 53, 10225 (1996)
- Interactions of the Na2 dimer with a C60 molecule
A. S. Hira and A. K. Ray
Phys. Rev. A 54, 2205 (1996)
- Common Electronic Structure and Pentagon Pairing in Extractable Fullerenes
S. Saito, S. Okada, S.-i. Sawada, and N. Hamada
Phys. Rev. Lett. 75, 685 (1995)
- Structure and Stability of Molecular Carbon: Importance of Electron Correlation
J. C. Grossman, L. Mitas, and K. Raghavachari
Phys. Rev. Lett. 75, 3870 (1995)
- Molecular Geometry Optimization with a Genetic Algorithm
D. M. Deaven and K. M. Ho
Phys. Rev. Lett. 75, 288 (1995)
- Linear Scaling Method for Phonon Calculations from Electronic Structure
P. Ordejón, D. A. Drabold, R. M. Martin, and S. Itoh
Phys. Rev. Lett. 75, 1324 (1995)
- Nonadiabatic Superconductivity: Electron-Phonon Interaction Beyond Migdal's Theorem
C. Grimaldi, L. Pietronero, and S. Strässler
Phys. Rev. Lett. 75, 1158 (1995)
- Fullerene Dimers: Cohesive Energy, Electronic Structure, and Vibrational Modes
M. R. Pederson and A. A. Quong
Phys. Rev. Lett. 74, 2319 (1995)
- Morphology of Nested Fullerenes
D. J. Srolovitz, S. A. Safran, M. Homyonfer, and R. Tenne
Phys. Rev. Lett. 74, 1779 (1995)
- Stable Configurations of Carbon Clusters: Chains, Rings, and Fullerenes
H. Handschuh, G. Ganteför, B. Kessler, P. S. Bechthold, and W. Eberhardt
Phys. Rev. Lett. 74, 1095 (1995)
- C60 on Al(111): Covalent bonding and surface reconstruction
A. J. Maxwell, P. A. Brühwiler, S. Andersson, D. Arvanitis, B. Hernnäs, O. Karis, D. C. Mancini, N. Mårtensson, S. M. Gray, M. K. ‐J. Johansson, and L. S. O. Johansson
Phys. Rev. B 52, R5546 (1995)
- Radial distribution function of a new form of amorphous diamond shock induced from C60 fullerene
H. Hirai, Y. Tabira, K. Kondo, T. Oikawa, and N. Ishizawa
Phys. Rev. B 52, 6162 (1995)
- Structural and electronic properties of polymeric fullerene chains
M. Springborg
Phys. Rev. B 52, 2935 (1995)
- Theoretical study of cubic structures based on fullerene carbon clusters: C28C and (C28)2
L. M. Zeger, Y. Juan, E. Kaxiras, and A. Antonelli
Phys. Rev. B 52, 2125 (1995)
- Electronic structures of C60 and C70 adsorbed on the Cu(111) surface and intramolecular STM images
Y. Maruyama, K. Ohno, and Y. Kawazoe
Phys. Rev. B 52, 2070 (1995)
- Theoretical studies of multishell fullerenes
A. C. Tang and F. Q. Huang
Phys. Rev. B 52, 17435 (1995)
- Fullerene nanotubes in electric fields
L. Lou, P. Nordlander, and R. E. Smalley
Phys. Rev. B 52, 1429 (1995)
- First-principles calculation of the electronic and optical properties of the organic superconductor kappa -(BEDT-TTF)2Cu(NCS)2
Y. Xu, W. Y. Ching, Y. C. Jean, and Y. Lou
Phys. Rev. B 52, 12946 (1995)
- Thermal decomposition of a fullerene mix
S. D. Leifer, D. G. Goodwin, M. S. Anderson, and J. R. Anderson
Phys. Rev. B 51, 9973 (1995)
- Structural aspects of C82 and C76 crystals studied by x-ray diffraction
H. Kawada, Y. Fujii, H. Nakao, Y. Murakami, T. Watanuki, H. Suematsu, K. Kikuchi, Y. Achiba, and I. Ikemoto
Phys. Rev. B 51, 8723 (1995)
- Structure and stability of molybdenum carbide clusters (MoC4)n (n=1 to 4) and their anions
P. Wei and W. Yang
Phys. Rev. B 51, 7224 (1995)
- Electronic structure of Si46 and Na2Ba6Si46
S. Saito and A. Oshiyama
Phys. Rev. B 51, 2628 (1995)
- Fast and versatile method for full-potential total energies: Applications to ordered and disordered alloys
V. P. Antropov and B. N. Harmon
Phys. Rev. B 51, 1918 (1995)
- Changes in structure and electronic state from C60 fullerene to amorphous diamond
H. Hirai and K. Kondo
Phys. Rev. B 51, 15555 (1995)
- Electronic structure and transport properties of fullerene nanotubules
Z. Wang, M. Luo, D. Yan, H. Ying, and W. Li
Phys. Rev. B 51, 13833 (1995)
- Electronic structures of giant fullerenes with Ih symmetry
A. C. Tang and F. Q. Huang
Phys. Rev. B 51, 13830 (1995)
- Polymorphism of carbon forms: Polyhedral morphology and electronic structures
M. Fujita, T. Umeda, and M. Yoshida
Phys. Rev. B 51, 13778 (1995)
- Orientationally ordered states in solid C60
J. Q. You, T. Xie, and B. Y. Tang
Phys. Rev. B 51, 1358 (1995)
- Temperature-dependent vibrational spectra of carbon nanotubes
P. V. Huong, R. Cavagnat, P. M. Ajayan, and O. Stephan
Phys. Rev. B 51, 10048 (1995)
- Multilayer metal coverage of fullerene molecules
U. Zimmermann, N. Malinowski, U. Näher, S. Frank, and T. P. Martin
Phys. Rev. Lett. 72, 3542 (1994)
- Fullerenes from camphor: A natural source
K. Mukhopadhyay, K. M. Krishna, and M. Sharon
Phys. Rev. Lett. 72, 3182 (1994)
- Melting the fullerenes: A molecular dynamics study
S. G. Kim and D. Tománek
Phys. Rev. Lett. 72, 2418 (1994)
- Midinfrared conductivity in orientationally disordered doped fullerides
M. S. Deshpande, E. J. Mele, M. J. Rice, and H‐Y. Choi
Phys. Rev. B 50, 6993 (1994)
- Instability of tetrahedral bonding for the C100 molecule
M. I. Heggie, C. D. Latham, R. Jones, and P. R. Briddon
Phys. Rev. B 50, 5937 (1994)
- Epitaxial growth of C60 on Ag(110) studied by scanning tunneling microscopy and tunneling spectroscopy
T. David, J. K. Gimzewski, D. Purdie, B. Reihl, and R. R. Schlittler
Phys. Rev. B 50, 5810 (1994)
- Boron hydride analogues of the fullerenes
A. A. Quong, M. R. Pederson, and J. Q. Broughton
Phys. Rev. B 50, 4787 (1994)
- Charge transfer at aluminum-C60 interfaces in thin-film multilayer structures
A. F. Hebard, C. B. Eom, Y. Iwasa, K. B. Lyons, G. A. Thomas, D. H. Rapkine, R. M. Fleming, R. C. Haddon, J. M. Phillips, J. H. Marshall, and R. H. Eick
Phys. Rev. B 50, 17740 (1994)
- Photoemission study of iron deposited on fullerenes
M. W. Ruckman, B. Xia, and D. Shih
Phys. Rev. B 50, 17682 (1994)
- Magic numbers of silicon clusters
J. Pan and M. V. Ramakrishna
Phys. Rev. B 50, 15431 (1994)
- Vibrational spectra of multishell fullerenes
T. F. Nagy, K. J. Conley, and D. Tománek
Phys. Rev. B 50, 12207 (1994)
- Molecular-dynamics study of the structure, binding energy, and melting of small clusters of fullerene molecules using Girifalco's spherical model
C. Rey, L. J. Gallego, and J. A. Alonso
Phys. Rev. B 49, 8491 (1994)
- Molecular geometry in fullerene C60: A direct determination of the bond-length difference dC
P. Damay and F. Leclercq
Phys. Rev. B 49, 7790 (1994)
- Structure of C20: Bicyclic ring versus cage
M. Sawtarie, M. Menon, and K. R. Subbaswamy
Phys. Rev. B 49, 7739 (1994)
- Collective level crossings on nanotubes and multipole excitations on fullerenes
P. S. Davids, L. Wang, A. Saxena, and A. R. Bishop
Phys. Rev. B 49, 5682 (1994)
- Electronic structure of single- and multiple-shell carbon fullerenes
Y. Lin and F. Nori
Phys. Rev. B 49, 5020 (1994)
- Computation of the ultraviolet absorption and electron inelastic scattering cross section of multishell fullerenes
A. A. Lucas, L. Henrard, and Ph. Lambin
Phys. Rev. B 49, 2888 (1994)
- Electronic and geometric structure of La@xaC82 and C82: Theory and experiment
D. M. Poirier, M. Knupfer, J. H. Weaver, W. Andreoni, K. Laasonen, M. Parrinello, D. S. Bethune, K. Kikuchi, and Y. Achiba
Phys. Rev. B 49, 17403 (1994)
- Collective electronic excitations in metal-coated C60
A. Rubio, J. A. Alonso, J. M. López, and M. J. Stott
Phys. Rev. B 49, 17397 (1994)
- Effects of molecular orientation on the electronic structure of fcc C60
B. Gu, Y. Maruyama, J. Yu, K. Ohno, and Y. Kawazoe
Phys. Rev. B 49, 16202 (1994)
- Isomers of the toroidal forms of graphitic carbon
S. Itoh and S. Ihara
Phys. Rev. B 49, 13970 (1994)
- Structure and properties of C60 dimers by generalized tight-binding molecular dynamics
M. Menon, K. R. Subbaswamy, and M. Sawtarie
Phys. Rev. B 49, 13966 (1994)
- Structure and phase transition of the 6,5-annulene isomer of C61H2
A. N. Lommen, P. A. Heiney, G. B. M. Vaughan, P. W. Stephens, D. Liu, D. Li, A. L. Smith, A. R. McGhie, R. M. Strongin, L. Brard, and A. B. Smith, III
Phys. Rev. B 49, 12572 (1994)
- Production of diamondlike carbon films through random compact cluster stacking
V. Paillard, P. Mélinon, V. Dupuis, A. Perez, J. P. Perez, G. Guiraud, J. Fornazero, and G. Panczer
Phys. Rev. B 49, 11433 (1994)
- Shape of large single- and multiple-shell fullerenes
J. P. Lu and W. Yang
Phys. Rev. B 49, 11421 (1994)
- Ab initio molecular-orbital calculation for C70 and seven isomers of C80
K. Nakao, N. Kurita, and M. Fujita
Phys. Rev. B 49, 11415 (1994)
- Superparamagnetism in carbon-coated Co particles produced by the Kratschmer carbon arc process
M. E. McHenry, S. A. Majetich, J. O. Artman, M. DeGraef, and S. W. Staley
Phys. Rev. B 49, 11358 (1994)
- Maximum entropy approach for linear scaling in the electronic structure problem
D. A. Drabold and O. F. Sankey
Phys. Rev. Lett. 70, 3631 (1993)
- Bonding and electronic properties of a multicomponent fullerene C12B24N24 by a non-local-density-functional calculation
K. Kobayashi and N. Kurita
Phys. Rev. Lett. 70, 3542 (1993)
- Structure and energetics of single and multilayer fullerene cages
A. Maiti, C. J. Brabec, and J. Bernholc
Phys. Rev. Lett. 70, 3023 (1993)
- New model for icosahedral carbon clusters and the structure of collapsed fullerite
L. Zeger and E. Kaxiras
Phys. Rev. Lett. 70, 2920 (1993)
- Ultraviolet photoelectron spectra of C82 and KxC82
S. Hino, K. Matsumoto, S. Hasegawa, K. Iwasaki, K. Yakushi, T. Morikawa, T. Takahashi, K. Seki, K. Kikuchi, S. Suzuki, I. Ikemoto, and Y. Achiba
Phys. Rev. B 48, 8418 (1993)
- Model for icosahedral aperiodic graphite structures
J. L. Aragón, H. Terrones, and D. Romeu
Phys. Rev. B 48, 8409 (1993)
- Bonding and electronic properties of substituted fullerenes C58B2 and C58N2
N. Kurita, K. Kobayashi, H. Kumahora, and K. Tago
Phys. Rev. B 48, 4850 (1993)
- Precise determination of the molecular geometry in fullerene C60 powder: A study of the structure factor by neutron scattering in a large momentum-transfer range
F. Leclercq, P. Damay, M. Foukani, P. Chieux, M. C. Bellissent
Phys. Rev. B 48, 2748 (1993)
- Doping-induced spectral evolution in C60: Evidence of immiscible stoichiometric phases in AxC60 (A=K,Rb; x=0, 3, and 6) thin films
W. L. Wilson, A. F. Hebard, L. R. Narasimhan, and R. C. Haddon
Phys. Rev. B 48, 2738 (1993)
- Covalent container compound: Empty, endohedral, and exohedral C28 complexes
M. R. Pederson and N. Laouini
Phys. Rev. B 48, 2733 (1993)
- Electronic structure of a stepped graphite surface
K. Kobayashi
Phys. Rev. B 48, 1757 (1993)
- Electronic states of group-IV endohedral atoms in C28
K. Jackson, E. Kaxiras, and M. R. Pederson
Phys. Rev. B 48, 17556 (1993)
- Structure sequence and possible superconductivity in potassium-doped fullerene C70Kx
M. Kobayashi, Y. Akahama, H. Kawamura, H. Shinohara, H. Sato, and Y. Saito
Phys. Rev. B 48, 16877 (1993)
- Preparation and properties of carbon-coated magnetic nanocrystallites
S. A. Majetich, J. O. Artman, M. E. McHenry, N. T. Nuhfer, and S. W. Staley
Phys. Rev. B 48, 16845 (1993)
- Stability of multishell fullerenes
D. Tománek, W. Zhong, and E. Krastev
Phys. Rev. B 48, 15461 (1993)
- Orientational phases for M3C60
T. Yildirim, S. Hong, A. B. Harris, and E. J. Mele
Phys. Rev. B 48, 12262 (1993)
- Erratum: Electronic structure and nonlinear optical properties of the fullerenes C60 and C70: A valence-effective-Hamiltonian study
Z. Shuai and J. L. Brédas
Phys. Rev. B 48, 11520 (1993)
- Formation of fullerenes in MeV-ion sputtering from organic solids
G. Brinkmalm, P. Demirev, D. Fenyö, P. Håkansson, J. Kopniczky, and B. U. R. Sundqvist
Phys. Rev. B 47, 7560 (1993)
- Toroidal form of carbon C360
S. Itoh, S. Ihara, and J. Kitakami
Phys. Rev. B 47, 1703 (1993)
- Dimerization structures of metallic and semiconducting fullerene tubules
K. Harigaya and M. Fujita
Phys. Rev. B 47, 16563 (1993)
- Bulk and surface dynamics of graphite with the bond charge model
G. Benedek and G. Onida
Phys. Rev. B 47, 16471 (1993)
- Adsorption of C60 and C84 on the Si(100)2 x 1 surface studied by using the scanning tunneling microscope
X.‐D. Wang, T. Hashizume, H. Shinohara, Y. Saito, Y. Nishina, and T. Sakurai
Phys. Rev. B 47, 15923 (1993)
- Electron-energy-loss studies of RbxC60 and RbxC70 (x=0, 3, and 6)
E. Sohmen and J. Fink
Phys. Rev. B 47, 14532 (1993)
- Photoexcitation spectroscopy of conducting-polymer
L. Smilowitz, N. S. Sariciftci, R. Wu, C. Gettinger, A. J. Heeger, and F. Wudl
Phys. Rev. B 47, 13835 (1993)
- Overlayer growth and molecular structures of C84 and other large fullerenes: A scanning-tunneling-microscopy study
Y. Z. Li, J. C. Patrin, M. Chander, J. H. Weaver, K. Kikuchi, and Y. Achiba
Phys. Rev. B 47, 10867 (1993)
- Structural and electronic properties of C84: A first-principles study
X. Wang, C. Z. Wang, B. L. Zhang, and K. M. Ho
Phys. Rev. Lett. 69, 69 (1992)
- Are fullerene tubules metallic?
J. W. Mintmire, B. I. Dunlap, and C. T. White
Phys. Rev. Lett. 68, 631 (1992)
- Predicted new low energy forms of carbon
M. O
Phys. Rev. Lett. 68, 2325 (1992)
- Electronic and optical properties of the Vanderbilt-Tersoff model of negative-curvature fullerene
W. Y. Ching, M. Huang, and Y. Xu
Phys. Rev. B 46, 9910 (1992)
- Ground states of large icosahedral fullerenes
R. Saito, G. Dresselhaus, and M. S. Dresselhaus
Phys. Rev. B 46, 9906 (1992)
- Structure and dynamics of C60 and C70 from tight-binding molecular dynamics
C. Z. Wang, C. T. Chan, and K. M. Ho
Phys. Rev. B 46, 9761 (1992)
- Systematic study of structures and stabilities of fullerenes
B. L. Zhang, C. H. Xu, C. Z. Wang, C. T. Chan, and K. M. Ho
Phys. Rev. B 46, 7333 (1992)
- Precursors to C60 fullerene formation
C. J. Brabec, E. B. Anderson, B. N. Davidson, S. A. Kajihara, Q.‐M. Zhang, J. Bernholc, and D. Tománek
Phys. Rev. B 46, 7326 (1992)
- Nucleation of carbon clusters via an accretion model
X. Jing and J. R. Chelikowsky
Phys. Rev. B 46, 5028 (1992)
- Infrared spectroscopy through the orientational phase transition in fullerene films
L. R. Narasimhan, D. N. Stoneback, A. F. Hebard, R. C. Haddon, and C. K. N. Patel
Phys. Rev. B 46, 2591 (1992)
- Electronic structure of schwarzite
R. Phillips, D. A. Drabold, T. Lenosky, G. B. Adams, and O. F. Sankey
Phys. Rev. B 46, 1941 (1992)
- Electronic structures of solid BC59
Y. Miyamoto, N. Hamada, A. Oshiyama, and S. Saito
Phys. Rev. B 46, 1749 (1992)
- Electronic structure and nonlinear optical properties of the fullerenes C60 and C70: A valence-effective-Hamiltonian study
Z. Shuai and J. L. Brédas
Phys. Rev. B 46, 16135 (1992)
- Energies of fullerenes
J. Tersoff
Phys. Rev. B 46, 15546 (1992)
- Nucleation of carbon clusters
X. Jing and J. R. Chelikowsky
Phys. Rev. B 46, 15503 (1992)
- C60 and C70 fullerenes and potassium fullerides
P. J. Benning, D. M. Poirier, T. R. Ohno, Y. Chen, M. B. Jost, F. Stepniak, G. H. Kroll, J. H. Weaver, J. Fure, and R. E. Smalley
Phys. Rev. B 45, 6899 (1992)
- Carbon fibers based on C60 and their symmetry
M. S. Dresselhaus, G. Dresselhaus, and R. Saito
Phys. Rev. B 45, 6234 (1992)
- Electronic and geometric structures of C76 and C84
S. Saito, S. Sawada, and N. Hamada
Phys. Rev. B 45, 13845 (1992)
- Phase separation in KxC60 (0 <= x <= 6) as obtained from in situ Raman spectroscopy
T. Pichler, M. Matus, J. Kürti, and H. Kuzmany
Phys. Rev. B 45, 13841 (1992)
- Nonlocal-density-functional bond-energy calculations of cage-shaped carbon fullerenes: C32 and C60
K. Kobayashi, N. Kurita, H. Kumahora, K. Tago, and K. Ozawa
Phys. Rev. B 45, 13690 (1992)
- Lattice distortion and energy-level structures in doped C60 and C70 molecules studied with the extended Su-Schrieffer-Heeger model: Polaron excitations and optical absorption
K. Harigaya
Phys. Rev. B 45, 13676 (1992)
- Energetics of nanoscale graphitic tubules
D. H. Robertson, D. W. Brenner, and J. W. Mintmire
Phys. Rev. B 45, 12592 (1992)
- From C60 to a fullerene tube: Systematic analysis of lattice and electronic structures by the extended Su-Schrieffer-Heeger model
K. Harigaya
Phys. Rev. B 45, 12071 (1992)
- Landau quantization of electrons on a sphere
H. Aoki and H. Suezawa
Phys. Rev. A 46, R1163 (1992)
- Growth regimes of carbon clusters
D. Tománek and M. A. Schluter
Phys. Rev. Lett. 67, 2331 (1991)
- Stiffness of a solid composed of C60 clusters
Y. Wang, D. Tománek, and G. F. Bertsch
Phys. Rev. B 44, 6562 (1991)
- Electronic and vibrational properties of C60 at finite temperature from ab initio molecular dynamics
B. P. Feuston, W. Andreoni, M. Parrinello, and E. Clementi
Phys. Rev. B 44, 4056 (1991)
- Group-IV covalent clusters: Si45 and C44 versus Si44 and C45
D. W. Brenner, B. I. Dunlap, J. A. Harrison, J. W. Mintmire, R. C. Mowrey, D. H. Robertson, and C. T. White
Phys. Rev. B 44, 3479 (1991)
- C60 bonding and energy-level alignment on metal and semiconductor surfaces
T. R. Ohno, Y. Chen, S. E. Harvey, G. H. Kroll, J. H. Weaver, R. E. Haufler, and R. E. Smalley
Phys. Rev. B 44, 13747 (1991)
- Radial distribution function of C60: Structure of fullerene
F. Li, D. Ramage, J. S. Lannin, and J. Conceicao
Phys. Rev. B 44, 13167 (1991)
- Electronic and geometric structures of C70
S. Saito and A. Oshiyama
Phys. Rev. B 44, 11532 (1991)
- Local-density-functional calculation of photoelectron spectra of fullerenes
J. W. Mintmire, B. I. Dunlap, D. W. Brenner, R. C. Mowrey, and C. T. White
Phys. Rev. B 43, 14281 (1991)