Calculated electronic and optical properties of a graphite intercalation compound: LiC6

被引:11
作者
Ahuja, R [1 ]
Auluck, S [1 ]
Eriksson, O [1 ]
Johansson, B [1 ]
机构
[1] UNIV ROORKEE,DEPT PHYS,ROORKEE 247667,UTTAR PRADESH,INDIA
关键词
D O I
10.1088/0953-8984/9/45/012
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We have used the linear muffin-tin orbital method, without geometrical approximations, to calculate the electronic structure of LiC6. Using our self-consistent solution, we have calculated the anisotropic frequency-dependent dielectric function and the reflectivity spectrum. The calculated reflectivity spectrum is in good agreement with the experimental data.
引用
收藏
页码:9845 / 9852
页数:8
相关论文
共 35 条
  • [1] Optical properties of graphite from first-principles calculations
    Ahuja, R
    Auluck, S
    Wills, JM
    Alouani, M
    Johansson, B
    Eriksson, O
    [J]. PHYSICAL REVIEW B, 1997, 55 (08): : 4999 - 5005
  • [2] LINEAR METHODS IN BAND THEORY
    ANDERSEN, OK
    [J]. PHYSICAL REVIEW B, 1975, 12 (08): : 3060 - 3083
  • [3] SYNTHESIS AND PROPERTIES OF LITHIUM-GRAPHITE INTERCALATION COMPOUNDS
    BASU, S
    ZELLER, C
    FLANDERS, PJ
    FUERST, CD
    JOHNSON, WD
    FISCHER, JE
    [J]. MATERIALS SCIENCE AND ENGINEERING, 1979, 38 (03): : 275 - 283
  • [4] PHOTOEMISSION STUDIES OF GRAPHITE HIGH-ENERGY CONDUCTION-BAND AND VALENCE-BAND STATES USING SOFT-X-RAY SYNCHROTRON RADIATION EXCITATION
    BIANCONI, A
    HAGSTROM, SBM
    BACHRACH, RZ
    [J]. PHYSICAL REVIEW B, 1977, 16 (12): : 5543 - 5548
  • [5] BAND-STRUCTURE MODEL AND DYNAMICAL DIELECTRIC FUNCTION IN LOWEST STAGES OF GRAPHITE ACCEPTOR COMPOUNDS
    BLINOWSKI, J
    HAU, NH
    RIGAUX, C
    VIEREN, JP
    LETOULLEC, R
    FURDIN, G
    HEROLD, A
    MELIN, J
    [J]. JOURNAL DE PHYSIQUE, 1980, 41 (01): : 47 - 58
  • [6] SPECIAL POINTS IN BRILLOUIN ZONE
    CHADI, DJ
    COHEN, ML
    [J]. PHYSICAL REVIEW B, 1973, 8 (12): : 5747 - 5753
  • [7] CHARGE-TRANSFER EFFECTS IN GRAPHITE INTERCALATES - ABINITIO CALCULATIONS AND NEUTRON-DIFFRACTION EXPERIMENT
    CHAN, CT
    KAMITAKAHARA, WA
    HO, KM
    EKLUND, PC
    [J]. PHYSICAL REVIEW LETTERS, 1987, 58 (15) : 1528 - 1531
  • [8] THE DE-HAAS-VAN-ALPHEN EFFECT OF THE STAGE-1 ALCL3 GRAPHITE-INTERCALATION COMPOUND
    CHIEN, TR
    MARCHESAN, D
    UMMAT, PK
    DATARS, WR
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 1994, 6 (16) : 3031 - 3038
  • [9] NUCLEAR MAGNETIC-RESONANCE OF INTERSTITIAL LITHIUM IN GRAPHITE
    CONARD, J
    ESTRADE, H
    [J]. MATERIALS SCIENCE AND ENGINEERING, 1977, 31 : 173 - 176
  • [10] DELHAES P, 1976, J PHYS LETT-PARIS, V37, pL127, DOI 10.1051/jphyslet:01976003705012700