A THEORETICAL-STUDY OF RELAXATION AND RECONSTRUCTION OF THE (111) SURFACE OF DIAMOND

被引：7
作者：
BARONE, V
LELJ, F
RUSSO, N
TOSCANO, M
ILLAS, F
RUBIO, J
机构：
[1] UNIV CALABRIA, DIPARTIMENTO CHIM, I-87030 RENDE, ITALY
[2] UNIV BARCELONA, FAC QUIM TARRAGONA, DEPT QUIM FIS, E-43005 TARRAGONA, SPAIN
来源：
SURFACE SCIENCE | 1985年 / 162卷 / 1-3期
关键词：
D O I：
10.1016/0039-6028(85)90891-X
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 ;
摘要：
引用
收藏
页码：169 / 174
页数：6
相关论文
共 32 条
[1]   MODEL HAMILTONIANS IN THE STUDY OF CHEMISORPTION AND CATALYSIS [J].
ABBATE, G ;
BARONE, V ;
LELJ, F ;
IACONIS, E ;
RUSSO, N .
SURFACE SCIENCE, 1985, 152 (APR) :690-701
[2]   CLEAVED SI(111) SURFACES - GEOMETRICAL AND ANNEALING BEHAVIOR [J].
AUER, PP ;
MONCH, W .
SURFACE SCIENCE, 1979, 80 (01) :45-55
[3]   SURFACE RELAXATION AND RECONSTRUCTION IN DIAMOND-LIKE CRYSTALS [J].
BARONE, V ;
LELJ, F ;
RUSSO, N ;
ABBATE, G .
SOLID STATE COMMUNICATIONS, 1984, 49 (09) :925-928
[4]  
BARONE V, 1982, INT J QUANTUM CHE S2, V21, P813
[5]  
BATRA IP, 1975, PHYS REV LETT, V14, P1377
[6]  
DITCHFIELD R, 1971, J CHEM PHYS, V54, P725
[7]   THEORETICAL METHOD TO DETERMINE ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS [J].
DURAND, P ;
BARTHELAT, JC .
THEORETICA CHIMICA ACTA, 1975, 38 (04) :283-302
[8]   SURFACE STRUCTURES AND PROPERTIES OF DIAMOND-STRUCTURE SEMICONDUCTORS [J].
HANEMAN, D .
PHYSICAL REVIEW, 1961, 121 (04) :1093-&
[9]   INTERPRETATION OF LOW ENERGY ELECTRON DIFFRACTION DATA TO PREDICT SURFCE ATOM ARRANGEMENTS [J].
HANSEN, NR ;
HANEMAN, D .
SURFACE SCIENCE, 1964, 2 :566-574
[10]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].
HEHRE, WJ ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+
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