Bibliografic database on Semiconductors, Heterostructures and Biophysics

Doped Fullerene

• 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)
• 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)
• 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 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)
• First-Principles Study of Electron-Conduction Properties of C60 Bridges
  Tomoya Ono and Kikuji Hirose
  Phys. Rev. Lett. 98, 026804 (2007)
• Jahn-Teller effects in the C602+ cation undergoing D2h distortion
  Ian D. Hands, Wajood A. Diery, Colin A. Bates, and Janette L. Dunn
  Phys. Rev. B 76, 085426 (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)
• Boron nitride fullerene B36N36 doped with transition metal atoms: First-principles calculations
  Ronaldo J. Batista, Mário S. Mazzoni, and Helio Chacham
  Phys. Rev. B 75, 035417 (2007)
• Prediction and Observation of Crystal Structures of Oppositely Charged Colloids
  A.-P. Hynninen, C. G. Christova, R. van Roij, A. van Blaaderen, and M. Dijkstra
  Phys. Rev. Lett. 96, 138308 (2006)
• Nondissociative Adsorption of H2 Molecules in Light-Element-Doped Fullerenes
  Yong-Hyun Kim, Yufeng Zhao, Andrew Williamson, Michael J. Heben, and S. B. Zhang
  Phys. Rev. Lett. 96, 016102 (2006)
• Electron-phonon coupling in halogen-doped carbon clathrates from first principles
  F. Zipoli, M. Bernasconi, and G. Benedek
  Phys. Rev. B 74, 205408 (2006)
• Charged and magnetic fullerenes of silicon by metal encapsulation: Predictions from ab initio calculations
  Vijay Kumar, Abhishek Kumar Singh, and Yoshiyuki Kawazoe
  Phys. Rev. B 74, 125411 (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)
• Electron Delocalization and Dimerization in Solid C59N Doped C60 Fullerene
  A. Rockenbauer, G. Csányi, F. Fülöp, S. Garaj, L. Korecz, R. Lukács, F. Simon, L. Forró, S. Pekker, and A. Jánossy
  Phys. Rev. Lett. 94, 066603 (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)
• 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)
• In situ photoelectron spectroscopy investigation of silicon cluster growth on fullerene surfaces
  P. Reinke and P. Oelhafen
  Phys. Rev. B 71, 045420 (2005)
• 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)
• Tuning spectral properties of fullerenes by substitutional doping
  R.-H. Xie, G. W. Bryant, G. Sun, T. Kar, Z. Chen, V. H. Smith, Jr., Y. Araki, N. Tagmatarchis, H. Shinohara, and O. Ito
  Phys. Rev. B 69, 201403 (2004)
• Dynamical screening and absorption within a strictly localized basis implementation of time-dependent LDA: From small clusters and molecules to aza-fullerenes
  X. Blase and P. Ordejón
  Phys. Rev. B 69, 085111 (2004)
• Nonadiabatic high-Tc superconductivity in hole-doped fullerenes
  P. Paci, E. Cappelluti, C. Grimaldi, L. Pietronero, and S. Strässler
  Phys. Rev. B 69, 024507 (2004)
• Selective pulse implementation of two-qubit gates for spin- 3 / 2 -based fullerene quantum-information processing
  M. Feng and J. Twamley
  Phys. Rev. A 70, 032318 (2004)
• Readout scheme of the fullerene-based quantum computer by a single-electron transistor
  M. Feng and J. Twamley
  Phys. Rev. A 70, 030303 (2004)
• Field doping of C60 crystals: Polarization and Stark splitting
  S. Wehrli, E. Koch, and M. Sigrist
  Phys. Rev. B 68, 115412 (2003)
• Possibility of Coupling to haloform molecules in intercalated C60
  E. Koch and O. Gunnarsson
  Phys. Rev. B 67, 161402 (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)
• Quantum-cellular-automata quantum computing with endohedral fullerenes
  J. Twamley
  Phys. Rev. A 67, 052318 (2003)
• Electrical resistivity at large temperatures: Saturation and lack thereof
  M. Calandra and O. Gunnarsson
  Phys. Rev. B 66, 205105 (2002)
• Topology and energetics of metal-encapsulating Si fullerenelike cage clusters
  T. Miyazaki, H. Hiura, and T. Kanayama
  Phys. Rev. B 66, 121403 (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)
• Enhancing Tc in field-doped fullerenes by applying uniaxial stress
  E. Koch
  Phys. Rev. B 66, 081401 (2002)
• Molecular dynamics study of the fragmentation of silicon-doped fullerenes
  C.-C. Fu, J. Fava, R. Weht, and M. Weissmann
  Phys. Rev. B 66, 045405 (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)
• 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)
• Se atom incorporation in fullerenes by using nuclear recoil and ab initio molecular dynamics simulation
  T. Ohtsuki, K. Ohno, K. Shiga, Y. Kawazoe, and H. Yuki
  Phys. Rev. B 65, 073402 (2002)
• Three-dimensional crystalline carbon: Stable polymers of C20 fullerene
  S. Okada, Y. Miyamoto, and M. Saito
  Phys. Rev. B 64, 245405 (2001)
• Direct observation of charge-transfer dynamics in a conjugated conducting polymer poly(3-octylthiophene)-fullerene composite by time-resolved infrared spectroscopy
  J. Wang, Y. Li, X. Hong, and M. A. El-Sayed
  Phys. Rev. B 64, 235413 (2001)
• High-frequency (95 GHz) electron paramagnetic resonance study of the photoinduced charge transfer in conjugated polymer-fullerene composites
  J. D. Ceuster, E. Goovaerts, A. Bouwen, J. C. Hummelen, and V. Dyakonov
  Phys. Rev. B 64, 195206 (2001)
• Formation of Sb- and Te-doped fullerenes by using nuclear recoil and molecular-dynamics simulations
  T. Ohtsuki, K. Ohno, K. Shiga, Y. Kawazoe, Y. Maruyama, K. Shikano, and K. Masumoto
  Phys. Rev. B 64, 125402 (2001)
• Quantitative assessment of the vibronic coupling in C-60 via doping effects in Raman scattering experiments
  I. D. Hands, J. L. Dunn, and C. A. Bates
  Phys. Rev. B 63, 245414 (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)
• C28: A possible room temperature organic superconductor
  N. Breda, R. A. Broglia, G. Colò, G. Onida, D. Provasi, and E. Vigezzi
  Phys. Rev. B 62, 130 (2000)
• Screening, Coulomb Pseudopotential, and Superconductivity in Alkali-Doped Fullerenes
  E. Koch, O. Gunnarsson, and R. M. Martin
  Phys. Rev. Lett. 83, 620 (1999)
• Role of the van Hove singularity on the critical temperature of doped fullerenes
  B. K. Agrawal, S. Agrawal, and P. S. Yadav
  Phys. Rev. B 60, 9305 (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)
• Filling dependence of the Mott transition in the degenerate Hubbard model
  E. Koch, O. Gunnarsson, and R. M. Martin
  Phys. Rev. B 60, 15714 (1999)
• Formation of As- and Ge-doped heterofullerenes
  T. Ohtsuki, K. Ohno, K. Shiga, Y. Kawazoe, Y. Maruyama, and K. Masumoto
  Phys. Rev. B 60, 1531 (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)
• Metal-insulator transition in a degenerate Hubbard model
  P. Mahadevan and D. D. Sarma
  Phys. Rev. B 59, 1739 (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)
• Nitrogen doping in purely sp2 bonded forms of carbon
  G. Jungnickel, P. K. Sitch, Th. Frauenheim, B. R. Eggen, M. I. Heggie, C. D. Latham, and C. S. G. Cousins
  Phys. Rev. B 57, R661 (1998)
• 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)
• 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)
• Pauli susceptibility of A3C60 (A=K,Rb)
  F. Aryasetiawan, O. Gunnarsson, E. Koch, and R. M. Martin
  Phys. Rev. B 55, R10165 (1997)
• Raman spectra on TDAE-C60 single crystals
  K. Pokhodnia, J. Demsar, A. Omerzu, D. Mihailovic, and H. Kuzmany
  Phys. Rev. B 55, 3757 (1997)
• Cage Destruction in Metal-Fullerene Clusters
  F. Tast, N. Malinowski, S. Frank, M. Heinebrodt, I. M. L. Billas, and T. P. Martin
  Phys. Rev. Lett. 77, 3529 (1996)
• Lower critical fields of alkali-metal-doped fullerene superconductors
  V. Buntar, F. M. Sauerzopf, and H. W. Weber
  Phys. Rev. B 54, R9651 (1996)
• Mott transition in degenerate Hubbard models: Application to doped fullerenes
  O. Gunnarsson, E. Koch, and R. M. Martin
  Phys. Rev. B 54, R11026 (1996)
• Photoluminescence-detected magnetic-resonance study of fullerene-doped pi -conjugated polymers
  P. A. Lane, J. Shinar, and K. Yoshino
  Phys. Rev. B 54, 9308 (1996)
• Theory of superconducting Tc of doped fullerenes
  A. S. Alexandrov and V. V. Kabanov
  Phys. Rev. B 54, 3655 (1996)
• Charge transfer in alkali-metal-doped polymeric fullerenes
  J. Winter, H. Kuzmany, A. Soldatov, P. -A. Persson, P. Jacobsson, and B. Sundqvist
  Phys. Rev. B 54, 17486 (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)
• Nonlinear optical properties of the substituted fullerenes C59X (X=B,N)
  J. Dong, J. Jiang, J. Yu, Z. D. Wang, and D. Y. Xing
  Phys. Rev. B 52, 9066 (1995)
• Pairing in alkaline-earth-metal-doped fullerenes
  D. M. Deaven, P. E. Lammert, and D. S. Rokhsar
  Phys. Rev. B 52, 16377 (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)
• 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)
• 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)
• Hubbard model and fullerenes: Stability of the Nagaoka state
  A. M. C. de Souza
  Phys. Rev. B 51, 1315 (1995)
• 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)
• Critical magnetic fields of superconducting Ba6C60
  V. Korenivski, K. V. Rao, and Z. Iqbal
  Phys. Rev. B 50, 13890 (1994)
• Electronic states of the Ba-C60 compounds
  M. Knupfer, F. Stepniak, and J. H. Weaver
  Phys. Rev. B 49, 7620 (1994)
• Multiband effects on the superconductivity in doped C60
  H. Choi and M. J. Rice
  Phys. Rev. B 49, 7048 (1994)
• Optical properties of the alkali-metal-doped superconducting fullerenes: K3C60 and Rb3C60
  L. Degiorgi, E. J. Nicol, O. Klein, G. Grüner, P. Wachter, S.‐M. Huang, J. Wiley, and R. B. Kaner
  Phys. Rev. B 49, 7012 (1994)
• Thermoelectric power of superconducting fullerenes
  D. T. Morelli
  Phys. Rev. B 49, 655 (1994)
• Conduction-band plasmons in cluster-type compounds: Application to fullerides and quantum-dot arrays
  V. V. Kresin and V. Z. Kresin
  Phys. Rev. B 49, 2715 (1994)
• Isotopic disorder in superconducting fullerenes
  D. M. Deaven and D. S. Rokhsar
  Phys. Rev. B 48, 4114 (1993)
• Electronic pairing mechanism in fullerenes: Interactions and correlations
  P. E. Lammert and D. S. Rokhsar
  Phys. Rev. B 48, 4103 (1993)
• Intramolecular-vibrational-mode softening in alkali-metal-saturated C70 films
  K. Wang, P. Zhou, A. M. Rao, P. C. Eklund, R. A. Jishi, and M. S. Dresselhaus
  Phys. Rev. B 48, 3501 (1993)
• Consequences of extended-range interactions in the correlation-induced model of superconductivity in the fullerenes
  W. E. Goff and P. Phillips
  Phys. Rev. B 48, 3491 (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)
• Disintegration of C60 by heavy-ion irradiation
  R. Kalish, A. Samoiloff, A. Hoffman, C. Uzan
  Phys. Rev. B 48, 18235 (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)
• Orientational phases for M3C60
  T. Yildirim, S. Hong, A. B. Harris, and E. J. Mele
  Phys. Rev. B 48, 12262 (1993)
• Generalized spin-density-wave state of the Hubbard model for C12 and C60 clusters
  L. Bergomi, J. P. Blaizot, Th. Jolicoeur, and E. Dagotto
  Phys. Rev. B 47, 5539 (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)
• Dominance of the spin-dipolar NMR relaxation mechanism in fullerene superconductors
  V. P. Antropov, I. I. Mazin, O. K. Andersen, A. I. Liechtenstein, and O. Jepsen
  Phys. Rev. B 47, 12373 (1993)
• Observation of photorefractivity in a fullerene-doped polymer composite
  Yue Zhang, Yiping Cui, and Paras N. Prasad
  Phys. Rev. B 46, 9900 (1992)
• Observation of photorefractivity in a fullerene-doped polymer composite
  Y. Zhang, Y. Cui, and P. N. Prasad
  Phys. Rev. B 46, 9900 (1992)
• C60: Interacting electrons on a spherical molecule
  G. N. Murthy and A. Auerbach
  Phys. Rev. B 46, 331 (1992)
• Electronic structures of solid BC59
  Yoshiyuki Miyamoto, Noriaki Hamada, Atsushi Oshiyama, and Susumu Saito
  Phys. Rev. B 46, 1749 (1992)
• Coupling strength in superconducting fullerenes
  V. Z. Kresin
  Phys. Rev. B 46, 14883 (1992)
• Calculation of the superconducting critical temperature in doped fullerenes
  H. Zheng and K.‐H. Bennemann
  Phys. Rev. B 46, 11993 (1992)
• Symmetry for lattice modes in C60 and alkali-metal-doped C60
  G. Dresselhaus, M. S. Dresselhaus, and P. C. Eklund
  Phys. Rev. B 45, 6923 (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)
• Quantitative theory of superconductivity in doped C60
  I. I. Mazin, S. N. Rashkeev, V. P. Antropov, O. Jepsen, A. I. Liechtenstein, and O. K. Andersen
  Phys. Rev. B 45, 5114 (1992)
• Electron-phonon coupling strength and implications for superconductivity in alkali-metal-doped fullerenes
  R. A. Jishi and M. S. Dresselhaus
  Phys. Rev. B 45, 2597 (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)
• 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
  Kikuo Harigaya
  Phys. Rev. B 45, 13676 (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)
• Electronic and geometric structures of C70
  S. Saito and A. Oshiyama
  Phys. Rev. B 44, 11532 (1991)

  Superconductivity