ELECTRON EXCITATIONS IN SOLID C-60 - ENERGY-GAP, BAND DISPERSIONS, AND EFFECTS OF ORIENTATIONAL DISORDER

被引：194
|
作者：
SHIRLEY, EL [1 ]
LOUIE, SG [1 ]
机构：
[1] LAWRENCE BERKELEY LAB, DIV MAT SCI, BERKELEY, CA 94720 USA
来源：
PHYSICAL REVIEW LETTERS | 1993年 / 71卷 / 01期
关键词：
D O I：
10.1103/PhysRevLett.71.133
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Electron excitation energies and photoemission spectra in undoped, solid C60 are calculated using a quasiparticle approach. The effects of orientational disorder and electron correlations are studied. We find a band gap of 2.15 eV, in good agreement with experiment, and approximately 1 eV widths for the highest-occupied-molecular-orbital (HOMO) and lowest-unoccupied-molecular-orbital (LUMO) bands. Calculated angle-resolved, inverse photoemission spectra for the LUMO bands show very little angular dependence, explaining recent experimental work on epitaxial thin films. The present results suggest that undoped, solid C60 is a standard band insulator.
引用
收藏
页码：133 / 136
页数：4
相关论文
共 50 条
  • [41] DISCONTINUOUS VOLUME CHANGE AT THE ORIENTATIONAL-ORDERING TRANSITION IN SOLID C-60
    HEINEY, PA
    VAUGHAN, GBM
    FISCHER, JE
    COUSTEL, N
    COX, DE
    COPLEY, JRD
    NEUMANN, DA
    KAMITAKAHARA, WA
    CREEGAN, KM
    COX, DM
    MCCAULEY, JP
    SMITH, AB
    PHYSICAL REVIEW B, 1992, 45 (08): : 4544 - 4547
  • [42] INTERMOLECULAR AND INTRAMOLECULAR PHONONS IN SOLID C60 - EFFECTS OF ORIENTATIONAL DISORDER AND PRESSURE
    YU, J
    BI, LS
    KALIA, RK
    VASHISHTA, P
    PHYSICAL REVIEW B, 1994, 49 (07): : 5008 - 5019
  • [43] ELECTRON-STIMULATED POLYMERIZATION OF SOLID C-60
    ZHAO, YB
    POIRIER, DM
    PECHMAN, RJ
    WEAVER, JH
    APPLIED PHYSICS LETTERS, 1994, 64 (05) : 577 - 579
  • [44] CORRELATION-EFFECTS IN SOLID C-60
    LOF, RW
    VANVEENENDAAL, MA
    KOOPMANS, B
    HEESSELS, A
    JONKMAN, HT
    SAWATZKY, GA
    INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 1992, 6 (23-24): : 3915 - 3921
  • [45] ORIENTATIONAL DISORDER AND ELECTRONIC STATES IN C-60 AND A3C60, WHERE A IS AN ALKALI-METAL
    GELFAND, MP
    LU, JP
    PHYSICAL REVIEW LETTERS, 1992, 68 (07) : 1050 - 1053
  • [46] ELECTRIC-CONDUCTIVITY AND BAND-GAP OF SOLID C-60 UNDER HIGH-PRESSURE
    SAITO, Y
    SHINOHARA, H
    KATO, M
    NAGASHIMA, H
    OHKOHCHI, M
    ANDO, Y
    CHEMICAL PHYSICS LETTERS, 1992, 189 (03) : 236 - 240
  • [47] Free energy of the solid C60 fullerene orientational order-disorder transition
    Chang, Jaeeon
    Sandler, Stanley I.
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (05):
  • [48] LOW-ENERGY EXCITONS IN SOLID C-60
    TALIANI, C
    MUCCINI, M
    ZAMBONI, R
    KAJZAR, F
    MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1994, 256 : 187 - 198
  • [49] Energy relaxation dynamics of photoexcited C-60 solid
    Yang, SI
    Suh, YD
    Jin, SM
    Kim, SK
    Park, J
    Shin, EJ
    Kim, D
    JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (22): : 9223 - 9226
  • [50] INTERMOLECULAR INTERACTIONS AND THE NATURE OF ORIENTATIONAL ORDERING IN THE SOLID FULLERENES C-60 AND C-70
    CHENG, A
    KLEIN, M
    PARRINELLO, M
    SPRIK, M
    PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1992, 341 (1661): : 327 - 336
12345