CLUSTER CALCULATION OF ELECTRONIC-STRUCTURE AND QUADRUPOLE INTERACTION IN ALPHA-AL2O3

被引:32
作者
NAGEL, S
机构
来源
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1985年 / 18卷 / 19期
关键词
D O I
10.1088/0022-3719/18/19/007
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:3673 / 3685
页数:13
相关论文
共 51 条
[11]  
Brytov I. A., 1978, Soviet Physics - Solid State, V20, P384
[12]   CALCULATION OF ONE-ELECTRON PROPERTIES FROM X-ALPHA MULTIPLE-SCATTERING WAVEFUNCTIONS [J].
CASE, DA ;
KARPLUS, M .
CHEMICAL PHYSICS LETTERS, 1976, 39 (01) :33-38
[13]   ELECTRONIC-STRUCTURE OF ALPHA-ALUMINA AND ITS DEFECT STATES [J].
CIRACI, S ;
BATRA, IP .
PHYSICAL REVIEW B, 1983, 28 (02) :982-992
[14]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&
[15]   VARIATIONAL APPROACH TO THE QUADRUPOLE POLARIZABILITY OF IONS [J].
DAS, TP ;
BERSOHN, R .
PHYSICAL REVIEW, 1956, 102 (03) :733-738
[16]  
DOUGLAS FC, 1970, THESIS U CONNECTICUT
[17]   ABINITIO DETERMINATION OF FE-57(M) QUADRUPOLE-MOMENT FROM MOSSBAUER DATA [J].
DUFF, KJ ;
MISHRA, KC ;
DAS, TP .
PHYSICAL REVIEW LETTERS, 1981, 46 (25) :1611-1614
[18]   ENERGY-LEVELS OF A = 21-44 NUCLEI .5. [J].
ENDT, PM ;
VANDERLE.C .
NUCLEAR PHYSICS A, 1973, A214 (OCT29) :1-625
[19]   THE ENERGY-BAND STRUCTURE OF CORUNDUM [J].
EVARESTOV, RA ;
ERMOSHKIN, AN ;
LOVCHIKOV, VA .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1980, 99 (01) :387-396
[20]  
FISCHER DW, 1970, ADVANCES XRAY ANALYS, V13, P159