ELECTRON-DENSITIES AND CHEMICAL BONDING IN TIC, TIN, AND TIO DERIVED FROM ENERGY-BAND CALCULATIONS

被引：118
作者：
BLAHA, P
SCHWARZ, K
机构：
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1983年 / 23卷 / 04期
关键词：
D O I：
10.1002/qua.560230435
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
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页码：1535 / 1552
页数：18
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[11]   RECENT INVESTIGATIONS ON THE ELECTRONIC-STRUCTURE OF THE 4TH-GROUP AND 5TH-GROUP TRANSITION-METAL MONOCARBIDES, MONONITRIDES, AND MONOXIDES [J].
NECKEL, A .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (04) :1317-1353
[12]   RESULTS OF SELF-CONSISTENT BAND-STRUCTURE CALCULATIONS FOR SCN, SCO, TIC, TIN, TIO, VC, VN AND VO [J].
NECKEL, A ;
RASTL, P ;
EIBLER, R ;
WEINBERGER, P ;
SCHWARZ, K .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1976, 9 (04) :579-592
[13]   BAND-STRUCTURE OF SOLID-STATE - INTERPRETATION OF NATURE OF CHEMICAL BOND IN SOME TRANSITION-METAL COMPOUNDS IN TERMS OF ENERGY-BAND STRUCTURE CALCULATIONS [J].
NECKEL, A ;
SCHWARZ, K ;
EIBLER, R ;
WEINBERGER, P ;
RASTL, P .
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1975, 79 (11) :1053-1063
[14]   CALCULATION OF X-RAY-EMISSION SPECTRA OF VC AND VN [J].
SCHWARZ, K ;
NECKEL, A .
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1975, 79 (11) :1071-1077
[15]   ENERGY-BAND STRUCTURE AND X-RAY-EMISSION SPECTRA OF ZRC AND ZRN [J].
SCHWARZ, K ;
RIPPLINGER, H ;
NECKEL, A .
ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1982, 48 (01) :79-87
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