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
[42]   REDETERMINATION OF NUCLEAR QUADRUPOLE MOMENTS FROM HYPERFINE INTERACTIONS IN COMPOUNDS [J].
SAWATZKY, GA ;
HUPKES, J .
PHYSICAL REVIEW LETTERS, 1970, 25 (02) :100-&
[43]   OPTIMIZATION OF STATISTICAL EXCHANGE PARAMETER-ALPHA FOR FREE ATOMS H THROUGH NB [J].
SCHWARZ, K .
PHYSICAL REVIEW B-SOLID STATE, 1972, 5 (07) :2466-&
[44]   CRYSTALLINE FIELDS IN CORUNDUM-TYPE LATTICES [J].
SHARMA, RR ;
DAS, TP .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (11) :3581-&
[45]   NUCLEAR QUADRUPOLE MOMENT OF AL-27 IN AL2O3 [J].
SHARMA, RR .
PHYSICAL REVIEW LETTERS, 1970, 25 (23) :1622-&
[46]   NUCLEAR MAGNETIC DIPOLE COUPLING IN AL2O3 [J].
SILVER, AH ;
LAMBE, J ;
KUSHIDA, T .
PHYSICAL REVIEW, 1962, 125 (04) :1147-&
[47]  
Slater J.C., 1972, ADV QUANTUM CHEM, V6, P1, DOI [10.1016/S0065-3276(08)60541- 9, DOI 10.1016/S0065-3276(08)60541-9]
[48]   EFFECT OF THE ATOMIC CORE ON THE MAGNETIC HYPERFINE STRUCTURE [J].
STERNHEIMER, R .
PHYSICAL REVIEW, 1952, 86 (03) :316-324
[49]   OVERLAP CONTRIBUTION TO ELECTRIC FIELD GRADIENT IN AN IONIC COMPLEX [J].
TAYLOR, DR .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (01) :536-&
[50]   ELECTRONIC-STRUCTURES OF MG, AL AND SI IN OCTAHEDRAL COORDINATION WITH OXYGEN FROM SCF XALPHA MO CALCULATIONS [J].
TOSSELL, JA .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1975, 36 (11) :1273-1280