DENSITY-FUNCTIONAL THEORY FOR THE ENERGY OF CRYSTALS - TEST OF THE IONIC MODEL

被引:55
作者
MUHLHAUSEN, C [1 ]
GORDON, RG [1 ]
机构
[1] HARVARD UNIV, DEPT CHEM, CAMBRIDGE, MA 02138 USA
来源
PHYSICAL REVIEW B | 1981年 / 24卷 / 04期
关键词
D O I
10.1103/PhysRevB.24.2147
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:2147 / 2160
页数:14
相关论文
共 46 条
[1]   ANALYSIS OF CRYSTAL BINDING OF ALKALI AND ALKALINE-EARTH CHALCOGENIDES [J].
AGARWAL, GG ;
SHARMA, OP ;
SHARMA, JC ;
SHARMA, HP ;
SHANKER, J .
JOURNAL OF INORGANIC & NUCLEAR CHEMISTRY, 1977, 39 (12) :2131-2134
[2]   ELECTRONEGATIVITY VALUES FROM THERMOCHEMICAL DATA [J].
ALLRED, AL .
JOURNAL OF INORGANIC & NUCLEAR CHEMISTRY, 1961, 17 (3-4) :215-221
[3]  
[Anonymous], 1968, METAL HYDRIDES
[4]  
[Anonymous], 1975, J PHYS CHEM REF DATA, V4, P1
[5]  
BAUGHAN EC, 1959, T FARADAY SOC, V55, P736
[6]   A PSEUDOPOTENTIAL APPROACH TO CRYSTALLINE LITHIUM HYDRIDE [J].
BERGGREN, KF .
JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1969, 2 (05) :802-&
[7]  
BERGGREN KF, 1971, INT J QUANTUM CHEM, V4, P431
[8]  
Bradley RS, 1929, PHILOS MAG, V7, P1081
[9]   INFRARED AND RAMAN-SPECTRA AND LATTICE-DYNAMICS OF SUPERIONIC CONDUCTOR LI3N [J].
CHANDRASEKHAR, HR ;
BHATTACHARYA, G ;
MIGONI, R ;
BILZ, H .
PHYSICAL REVIEW B, 1978, 17 (02) :884-893
[10]   JANAF THERMOCHEMICAL TABLES, 1978 SUPPLEMENT [J].
CHASE, MW ;
CURNUTT, JL ;
MCDONALD, RA ;
SYVERUD, AN .
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1978, 7 (03) :793-940