STRUCTURAL AND ELECTRONIC-PROPERTIES OF GRAPHITE VIA AN ALL-ELECTRON TOTAL-ENERGY LOCAL-DENSITY APPROACH

被引:111
作者
JANSEN, HJF
FREEMAN, AJ
机构
[1] NORTHWESTERN UNIV,DEPT PHYS & ASTRON,EVANSTON,IL 60201
[2] OREGON STATE UNIV,DEPT PHYS,CORVALLIS,OR 97331
来源
PHYSICAL REVIEW B | 1987年 / 35卷 / 15期
关键词
D O I
10.1103/PhysRevB.35.8207
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:8207 / 8214
页数:8
相关论文
共 18 条
[1]   PHOTOEMISSION STUDIES OF GRAPHITE HIGH-ENERGY CONDUCTION-BAND AND VALENCE-BAND STATES USING SOFT-X-RAY SYNCHROTRON RADIATION EXCITATION [J].
BIANCONI, A ;
HAGSTROM, SBM ;
BACHRACH, RZ .
PHYSICAL REVIEW B, 1977, 16 (12) :5543-5548
[2]  
BLACKSLEE OL, 1970, J APPL PHYS, V41, P3373
[3]   DENSITY-FUNCTIONAL STUDY OF INTERPLANAR BINDING IN GRAPHITE [J].
DIVINCENZO, DP ;
MELE, EJ ;
HOLZWARTH, NAW .
PHYSICAL REVIEW B, 1983, 27 (04) :2458-2469
[4]   CHARGE-TRANSFER AND NON-RIGID-BAND EFFECTS IN THE GRAPHITE COMPOUND LIC6 [J].
EBERHARDT, W ;
MCGOVERN, IT ;
PLUMMER, EW ;
FISHER, JE .
PHYSICAL REVIEW LETTERS, 1980, 44 (03) :200-204
[5]   ALL ELECTRON LOCAL DENSITY DETERMINATION OF THE SURFACE-ENERGY OF TRANSITION-METALS - W(001) AND V(001) [J].
FU, CL ;
OHNISHI, S ;
JANSEN, HJF ;
FREEMAN, AJ .
PHYSICAL REVIEW B, 1985, 31 (02) :1168-1171
[6]   PRESSURE AND TEMPERATURE DEPENDENCES OF ELASTIC-CONSTANTS OF COMPRESSION-ANNEALED PYROLYTIC-GRAPHITE [J].
GAUSTER, WB ;
FRITZ, IJ .
JOURNAL OF APPLIED PHYSICS, 1974, 45 (08) :3309-3314
[7]   X-RAY FORM-FACTORS AND THE ELECTRONIC-STRUCTURE OF GRAPHITE [J].
HOLZWARTH, NAW ;
LOUIE, SG ;
RABII, S .
PHYSICAL REVIEW B, 1982, 26 (10) :5382-5390
[8]   TOTAL-ENERGY FULL-POTENTIAL LINEARIZED AUGMENTED-PLANE-WAVE METHOD FOR BULK SOLIDS - ELECTRONIC AND STRUCTURAL-PROPERTIES OF TUNGSTEN [J].
JANSEN, HJF ;
FREEMAN, AJ .
PHYSICAL REVIEW B, 1984, 30 (02) :561-569
[9]  
KELLY BT, 1981, PHYSICS GRAPHITE, P80
[10]   ANGLE-RESOLVED PHOTOEMISSION AND SECONDARY-ELECTRON EMISSION FROM SINGLE-CRYSTAL GRAPHITE [J].
LAW, AR ;
BARRY, JJ ;
HUGHES, HP .
PHYSICAL REVIEW B, 1983, 28 (09) :5332-5335