SELF-CONSISTENT LOCAL-ORBITAL METHOD FOR CALCULATING SURFACE ELECTRONIC-STRUCTURE - APPLICATION TO CU(100)

被引：189
作者：
SMITH, JR
GAY, JG
ARLINGHAUS, FJ
机构：
来源：
PHYSICAL REVIEW B | 1980年 / 21卷 / 06期
关键词：
D O I：
10.1103/PhysRevB.21.2201
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
引用
收藏
页码：2201 / 2221
页数：21
相关论文
共 67 条
[1]   ELECTRONIC-STRUCTURE OF AN ORDERED MONOLAYER OF CU ON ZN(0001) [J].
ABBATI, I ;
BRAICOVICH, L ;
BERTONI, CM ;
CALANDRA, C ;
MANGHI, F .
PHYSICAL REVIEW LETTERS, 1978, 40 (07) :469-472
[2]   ELECTRONIC-STRUCTURE OF SOLID-SURFACES [J].
APPELBAUM, JA ;
HAMANN, DR .
REVIEWS OF MODERN PHYSICS, 1976, 48 (03) :479-496
[3]   ELECTRONIC-STRUCTURE OF CU(111) SURFACE [J].
APPELBAUM, JA ;
HAMANN, DR .
SOLID STATE COMMUNICATIONS, 1978, 27 (09) :881-883
[4]   SELF-CONSISTENT ELECTRONIC-STRUCTURE OF A CU(100) MONOLAYER [J].
ARLINGHAUS, FJ ;
GAY, JG ;
SMITH, JR .
PHYSICAL REVIEW B, 1979, 20 (04) :1332-1334
[5]   EVEN-TEMPERED ATOMIC ORBITALS .3. ECONOMIC DEPLOYMENT OF GAUSSIAN PRIMITIVES IN EXPANDING ATOMIC SCF ORBITALS [J].
BARDO, RD ;
RUEDENBERG, K .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) :5956-5965
[6]   GAUSSIAN-ORBITAL BASIS SETS FOR FIRST-ROW TRANSITION-METAL ATOMS [J].
BASCH, H ;
HORNBACK, CJ ;
MOSKOWITZ, JW .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (04) :1311-+
[7]   SELF-CONSISTENT CALCULATION OF ELECTRONIC-STRUCTURE OF THIN COPPER-FILMS [J].
BERTONI, CM ;
BISI, O ;
CALANDRA, C ;
MANGHI, F .
THIN SOLID FILMS, 1977, 43 (03) :251-259
[8]   SP-D HYBRIDIZATION EFFECTS ON ELECTRONIC-STRUCTURE OF (100) SURFACE IN COPPER [J].
BERTONI, CM ;
BISI, O ;
CALANDRA, C ;
NIZZOLI, F ;
SANTORO, G .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1976, 6 (02) :L41-L44
[9]  
BLAKELY JM, 1976, SURFACE PHYSICS CRYS
[10]   ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM [J].
BOYS, SF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063) :542-554
1234567