Electronic properties
- Magnetic Field Effects in π-Conjugated Polymer-Fullerene Blends: Evidence for Multiple Components
F. J. Wang, Heinz Bässler, and Z. Valy Vardeny
Phys. Rev. Lett. 101, 236805 (2008)
- Metal Atom Catalyzed Enlargement of Fullerenes
Chuanhong Jin, Haiping Lan, Kazu Suenaga, Lianmao Peng, and Sumio Iijima
Phys. Rev. Lett. 101, 176102 (2008)
- Switchable ErSc2N Rotor within a C80 Fullerene Cage: An Electron Paramagnetic Resonance and Photoluminescence Excitation Study
John J. L. Morton, Archana Tiwari, Geraldine Dantelle, Kyriakos Porfyrakis, Arzhang Ardavan, and G. Andrew D. Briggs
Phys. Rev. Lett. 101, 013002 (2008)
- 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)
- Reducing the Molecule-Substrate Coupling in C60-Based Nanostructures by Molecular Interactions
K. J. Franke, G. Schulze, N. Henningsen, I. Fernández-Torrente, J. I. Pascual, S. Zarwell, K. Rück-Braun, M. Cobian, and N. Lorente
Phys. Rev. Lett. 100, 036807 (2008)
- Family of boron fullerenes : General constructing schemes, electron counting rule, and ab initio calculations
Qing-Bo Yan, Xian-Lei Sheng, Qing-Rong Zheng, Li-Zhi Zhang, and Gang Su
Phys. Rev. B 78, 201401 (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)
- Estimates of effective Hubbard model parameters for C20 isomers
Fei Lin and Erik S. Sørensen
Phys. Rev. B 78, 085435 (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)
- Modeling spin interactions in carbon peapods using a hybrid density functional theory
Ling Ge, Barbara Montanari, John H. Jefferson, David G. Pettifor, Nicholas M. Harrison, and G. Andrew D. Briggs
Phys. Rev. B 77, 235416 (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)
- Enhanced thermal stability and spin-lattice relaxation rate of N@ C60 inside carbon nanotubes
S. Tóth, D. Quintavalle, B. Náfrádi, L. Korecz, L. Forró, and F. Simon
Phys. Rev. B 77, 214409 (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)
- Probing high-pressure properties of single-wall carbon nanotubes through fullerene encapsulation
Ch. Caillier, D. Machon, A. San-Miguel, R. Arenal, G. Montagnac, H. Cardon, M. Kalbac, M. Zukalova, and L. Kavan
Phys. Rev. B 77, 125418 (2008)
- Static dielectric response of icosahedral fullerenes from C60 to C2160 characterized by an all-electron density functional theory
Rajendra R. Zope, Tunna Baruah, Mark R. Pederson, and B. I. Dunlap
Phys. Rev. B 77, 115452 (2008)
- Optimizing organic photovoltaics using tailored heterojunctions: A photoinduced absorption study of oligothiophenes with low band gaps
R. Schueppel, K. Schmidt, C. Uhrich, K. Schulze, D. Wynands, J. L. Brédas, E. Brier, E. Reinold, H.-B. Bu, P. Baeuerle, B. Maennig, M. Pfeiffer, and K. Leo
Phys. Rev. B 77, 085311 (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)
- First-principles study of a hybrid carbon material: Imperfect fullerenes covalently bonded to defective single-walled carbon nanotubes
Tiezhu Meng, Chong-Yu Wang, and Shan-Ying Wang
Phys. Rev. B 77, 033415 (2008)
- Endohedrally confined helium: Study of mirror collapses
D. M. Mitnik, J. Randazzo, and G. Gasaneo
Phys. Rev. A 78, 062501 (2008)
- Bell-state preparation for fullerene -based electron spins in distant nanotubes
W. L. Yang, H. Wei, X. L. Zhang, and M. Feng
Phys. Rev. A 78, 054301 (2008)
- Theoretical study of molecular electronic excitations and optical transitions of C60
A. V. Nikolaev, I. V. Bodrenko, and E. V. Tkalya
Phys. Rev. A 77, 012503 (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)
- First-Principles Study of Electron -Conduction Properties of C60 Bridges
Tomoya Ono and Kikuji Hirose
Phys. Rev. Lett. 98, 026804 (2007)
- Collective mode properties in a paired fullerene -ion plasma
W. Oohara, Y. Kuwabara, and R. Hatakeyama
Phys. Rev. E 75, 056403 (2007)
- Strong correlation effects in the fullerene C20 studied using a one-band Hubbard model
Fei Lin, Erik S. Sørensen, Catherine Kallin, and A. John Berlinsky
Phys. Rev. B 76, 033414 (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)
- First- and second-electron affinities of C60 and C70 isomers
Henning Zettergren, Manuel Alcamí, and Fernando Martín
Phys. Rev. A 76, 043205 (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)
- 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)
- 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)
- ( 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)
- Optimally stuffed fullerene structures of silicon nanoclusters
J. Wang, X. Zhou, G. Wang, and J. Zhao
Phys. Rev. B 71, 113412 (2005)
- Optical manifestations of the condensation of topological defects in continuous layer multishell carbon nanoparticles
P. V. Pikhitsa, Y. J. Kim, M. W. Kim, S. Yang, T. W. Noh, and M. Choi
Phys. Rev. B 71, 073402 (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)
- Phonon Spectromicroscopy of Carbon Nanostructures with Atomic Resolution
L. Vitali, M. Burghard, M. A. Schneider, L. Liu, S. Y. Wu, C. S. Jayanthi, and K. Kern
Phys. Rev. Lett. 93, 136103 (2004)
- Rigid crystalline phases of polymerized fullerenes
S. Berber, E. Osawa, and D. Tománek
Phys. Rev. B 70, 085417 (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)
- Local magnetism in rare-earth metals encapsulated in fullerenes
C. De Nadaï, A. Mirone, S. S. Dhesi, P. Bencok, N. B. Brookes, I. Marenne, P. Rudolf, N. Tagmatarchis, H. Shinohara, and T. J. S. Dennis
Phys. Rev. B 69, 184421 (2004)
- 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)
- 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)
- Raman scattering in C60 and C48N12 aza-fullerene: First-principles study
R.-H. Xie, G. W. Bryant, and V. H. Smith, Jr.
Phys. Rev. B 67, 155404 (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)
- 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)
- 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)
- Imaging Delocalized Electron Clouds: Photoionization of C60 in Fourier Reciprocal Space
A. Rüdel, R. Hentges, U. Becker, H. S. Chakraborty, M. E. Madjet, and J. M. Rost
Phys. Rev. Lett. 89, 125503 (2002)
- Electrical resistivity at large temperatures: Saturation and lack thereof
M. Calandra and O. Gunnarsson
Phys. Rev. B 66, 205105 (2002)
- 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)
- Stability and electronic properties of Si-doped carbon fullerenes
R. Guirado-López
Phys. Rev. B 65, 165421 (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)
- Surface and Bulk Normal State Transport Properties in K3C60
A. Goldoni, L. Sangaletti, F. Parmigiani, G. Comelli, and G. Paolucci
Phys. Rev. Lett. 87, 076401 (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 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)
- Phases for the azafullerides RbxC59N
T. Pichler, H. Kuzmany, N. Tagmatarchis, and K. Prassides
Phys. Rev. B 63, 140301 (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)
- Dynamic and electronic properties of Ce@C80: Comparative studies by the time-differential perturbed angular correlation technique with 140Ce (<--140La) probes in graphite and diamond
W. Sato, K. Sueki, Y. Achiba, H. Nakahara, Y. Ohkubo, and K. Asai
Phys. Rev. B 63, 024405 (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)
- Z Oscillations in Ion-Induced Fullerene Fragmentation
O. Hadjar, P. Földi, R. Hoekstra, R. Morgenstern, and T. Schlathölter
Phys. Rev. Lett. 84, 4076 (2000)
- Plasmon excitations in graphitic carbon spheres measured by EELS
T. Stöckli, J.-M. Bonard, A. Châtelain, Z. L. Wang, and P. Stadelmann
Phys. Rev. B 61, 5751 (2000)
- 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)
- 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)
- Metallic properties of the ternary fullerides ABa2C60 (A=K,Rb,Cs)
K.-F. Thier, C. Goze, M. Mehring, F. Rachdi, T. Yildirim, and J. E. Fischer
Phys. Rev. B 59, 10536 (1999)
- Synthesis and Structure of Silicon-doped Heterofullerenes
C. Ray, M. Pellarin, J. L. Lermé, J. L. Vialle, M. Broyer, X. Blase, P. Mélinon, P. Kéghélian, and A. Perez
Phys. Rev. Lett. 80, 5365 (1998)
- Plasmon excitations in graphitic carbon spheres
T. Stöckli, J.-M. Bonard, A. Châtelain, Z. Lin Wang, and P. Stadelmann
Phys. Rev. B 57, 15599 (1998)
- Electronic Tuning of Dynamical Charge Transfer at an Interface: K Doping of C60/Ag(111)
A. Peremans, Y. Caudano, P. A. Thiry, P. Dumas, W. Q. Zhang, A. Le Rille, and A. Tadjeddine
Phys. Rev. Lett. 78, 2999 (1997)
- Electronic properties of fullerenes with nonpositive Gaussian curvature: Finite zeolites
J. L. Ricardo-Chávez, J. Dorantes-Dávila, M. Terrones, and H. Terrones
Phys. Rev. B 56, 12143 (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)
- 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)
- 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)
- Near constancy of the pressure dependence of Tc across families of organic and fullerene superconductors
V. H. Crespi and M. L. Cohen
Phys. Rev. B 53, 56 (1996)
- Structural and electronic properties of polymeric fullerene chains
M. Springborg
Phys. Rev. B 52, 2935 (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)
- Nonadiabatic superconductivity. I. Vertex corrections for the electron-phonon interactions
L. Pietronero, S. Strässler, and C. Grimaldi
Phys. Rev. B 52, 10516 (1995)
- Charge transfer, doping, and interface morphologies for Al-C60
D. W. Owens, C. M. Aldao, D. M. Poirier, and J. H. Weaver
Phys. Rev. B 51, 17068 (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)
- Collective electronic excitations in C60 crystals
X. Wu and S. E. Ulloa
Phys. Rev. B 49, 7825 (1994)
- Electronic states of the Ba-C60 compounds
M. Knupfer, F. Stepniak, and J. H. Weaver
Phys. Rev. B 49, 7620 (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)
- 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)
- 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)
- 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)
- 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)
- 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)
- Magnetic properties of TDAE-C60 and TDAE-C70, where TDAE is tetrakis(dimethylamino)ethylene
K. Tanaka, A. A. Zakhidov, K. Yoshizawa, K. Okahara, T. Yamabe, K. Yakushi, K. Kikuchi, S. Suzuki, I. Ikemoto, and Y. Achiba
Phys. Rev. B 47, 7554 (1993)
- Dimerization structures of metallic and semiconducting fullerene tubules
K. Harigaya and M. Fujita
Phys. Rev. B 47, 16563 (1993)
- Electronic properties of hydrogen-bonded fullerenes and potassium fullerides
T. R. Ohno, C. Gu, J. H. Weaver, L. P. F. Chibante, and R. E. Smalley
Phys. Rev. B 47, 13848 (1993)
- Continuum approximation to fullerene molecules
J. González, F. Guinea, and M. A. H. Vozmediano
Phys. Rev. Lett. 69, 172 (1992)
- Doping-induced distortions and bonding in K6C60 and Rb6C60
W. Andreoni, F. Gygi, and M. Parrinello
Phys. Rev. Lett. 68, 823 (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)
- 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)
- 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)