INVESTIGATION OF MULTILAYER RELAXATION ON AL(110) WITH THE USE OF SELF-CONSISTENT TOTAL-ENERGY CALCULATIONS

被引:136
作者
HO, KM
BOHNEN, KP
机构
[1] KERNFORSCHUNGSZENTRUM KARLSRUHE GMBH,INST NUKL FESTKORPERPHYS,D-7500 KARLSRUHE 1,FED REP GER
[2] IOWA STATE UNIV SCI & TECHNOL,DEPT PHYS,AMES,IA 50011
来源
PHYSICAL REVIEW B | 1985年 / 32卷 / 06期
关键词
D O I
10.1103/PhysRevB.32.3446
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:3446 / 3450
页数:5
相关论文
共 28 条
[11]  
HELLMANN H, 1937, EINFUHRUNG QUANTECHE
[12]   VIBRATIONAL FREQUENCIES VIA TOTAL-ENERGY CALCULATIONS - APPLICATIONS TO TRANSITION-METALS [J].
HO, KM ;
FU, CL ;
HARMON, BN .
PHYSICAL REVIEW B, 1984, 29 (04) :1575-1587
[13]   DIELECTRIC MATRIX SCHEME FOR FAST CONVERGENCE IN SELF-CONSISTENT ELECTRONIC-STRUCTURE CALCULATIONS [J].
HO, KM ;
IHM, J ;
JOANNOPOULOS, JD .
PHYSICAL REVIEW B, 1982, 25 (06) :4260-4262
[14]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[15]   STRUCTURE OF THE AL-GAAS(110) INTERFACE FROM AN ENERGY-MINIMIZATION APPROACH [J].
IHM, J ;
JOANNOPOULOS, JD .
PHYSICAL REVIEW B, 1982, 26 (08) :4429-4435
[16]   THE SURFACE-STRUCTURE OF V(100) [J].
JENSEN, V ;
ANDERSEN, JN ;
NIELSEN, HB ;
ADAMS, DL .
SURFACE SCIENCE, 1982, 116 (01) :66-84
[17]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[18]   ABINITIO CALCULATION OF THE STATIC STRUCTURAL-PROPERTIES OF AL [J].
LAM, PK ;
COHEN, ML .
PHYSICAL REVIEW B, 1981, 24 (08) :4224-4229
[19]   ABINITIO CALCULATION OF PHONON FREQUENCIES OF AL [J].
LAM, PK ;
COHEN, ML .
PHYSICAL REVIEW B, 1982, 25 (10) :6139-6145
[20]  
MORUZZI VL, 1978, CALCULATED ELECTRONI