MOLECULAR SCF CALCULATIONS TO MODEL (111) SURFACE-STATES AND RELAXATION OF DIAMOND

被引:35
作者
SNYDER, LC
WASSERMAN, Z
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D O I
10.1016/0039-6028(78)90341-2
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
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页码:407 / 413
页数:7
相关论文
共 15 条
[1]   SURFACE STATES AND SURFACE BONDS OF SI(111) [J].
APPELBAUM, JA ;
HAMANN, DR .
PHYSICAL REVIEW LETTERS, 1973, 31 (02) :106-109
[2]  
COTTRELL TL, 1954, STRENGTHS CHEMICAL B
[3]   SURFACE RECONSTRUCTION ON SEMICONDUCTORS [J].
HARRISON, WA .
SURFACE SCIENCE, 1976, 55 (01) :1-19
[4]  
HEHREM WJ, QCPE236 GAUSSIAN70 A
[5]  
HODGMANN CD, 1949, HDB CHEMISTRY PHYSIC
[6]  
NEUMANN DB, QCPE199 POLYATOM SYS
[7]   ATOMIC DENSITIES OF STATES NEAR SI (111) SURFACES [J].
PANDEY, KC ;
PHILLIPS, JC .
PHYSICAL REVIEW B, 1976, 13 (02) :750-760
[8]  
Pauling L., 1960, NATURE CHEM BOND INT
[9]   SELF-CONSISTENT ORBITALS FOR RADICALS [J].
POPLE, JA ;
NESBET, RK .
JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (03) :571-572
[10]  
PRICE WC, 1968, MOLECULAR SPECTROSCO