CALCULATION OF THE ELECTRIC-FIELD GRADIENT TENSOR FROM ENERGY-BAND STRUCTURES

被引:14
作者
BLAHA, P
SORANTIN, P
AMBROSCH, C
SCHWARZ, K
机构
来源
HYPERFINE INTERACTIONS | 1989年 / 51卷 / 1-4期
关键词
D O I
10.1007/BF02407802
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
引用
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页码:917 / 923
页数:7
相关论文
共 15 条
[1]   ELECTRON-DENSITIES AND CHEMICAL BONDING IN TIC, TIN, AND TIO DERIVED FROM ENERGY-BAND CALCULATIONS [J].
BLAHA, P ;
SCHWARZ, K .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (04) :1535-1552
[2]   1ST-PRINCIPLES CALCULATION OF THE ELECTRIC-FIELD GRADIENT IN HCP METALS [J].
BLAHA, P ;
SCHWARZ, K ;
DEDERICHS, PH .
PHYSICAL REVIEW B, 1988, 37 (06) :2792-2796
[3]   1ST-PRINCIPLES CALCULATION OF THE ELECTRIC-FIELD GRADIENT OF LI3N [J].
BLAHA, P ;
SCHWARZ, K ;
HERZIG, P .
PHYSICAL REVIEW LETTERS, 1985, 54 (11) :1192-1195
[4]  
BRIX P, 1986, Z NATURFORSCH A, V41, P3
[5]  
DAS TP, 1986, Z NATURFORSCH A, V41, P47
[6]   NMR-SPECTRA OF LI AND N IN SINGLE-CRYSTALS OF LI3N - DISCUSSION OF IONIC NATURE [J].
DIFFERT, K ;
MESSER, R .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1980, 13 (05) :717-724
[7]  
HA TK, 1986, Z NATURFORSCH A, V41, P163
[8]   THE ELECTRIC-FIELD GRADIENT AT THE POSITION OF COPPER IN CU2O AND ELECTRONIC CHARGE-DENSITY ANALYSIS BY MEANS OF K-FACTORS [J].
HAFNER, SS ;
NAGEL, S .
PHYSICS AND CHEMISTRY OF MINERALS, 1983, 9 (01) :19-22
[9]   ITINERANT FERROMAGNETISM IN FEE COBALT [J].
JANAK, JF .
SOLID STATE COMMUNICATIONS, 1978, 25 (02) :53-55
[10]   HARTREE-FOCK CLUSTER INVESTIGATIONS OF ELECTRONIC-STRUCTURE AND NUCLEAR-QUADRUPOLE INTERACTION IN THE SUPERIONIC CONDUCTOR LI3N [J].
KELIRES, PC ;
MISHRA, KC ;
DAS, TP .
HYPERFINE INTERACTIONS, 1987, 34 (1-4) :289-292