DEFORMATION CHARGE-DISTRIBUTION AND TOTAL ENERGY FOR PEROVSKITES

被引:50
作者
WEYRICH, KH
SIEMS, R
机构
来源
ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER | 1985年 / 61卷 / 01期
关键词
D O I
10.1007/BF01308943
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:63 / 68
页数:6
相关论文
共 14 条
[1]   LINEAR METHODS IN BAND THEORY [J].
ANDERSEN, OK .
PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083
[2]   OXYGEN POLARIZABILITY IN FERROELECTRIC PHASE-TRANSITIONS [J].
BUSSMANN, A ;
BILZ, H ;
ROENSPIESS, R ;
SCHWARZ, K .
FERROELECTRICS, 1980, 25 (1-4) :343-346
[3]  
CAMP PE, 1983, AB INITIO CALCULATIO
[4]   NONSPHERICAL CHARGE-DISTRIBUTIONS AND ELECTROSTATIC INTERACTIONS IN CRYSTALS [J].
CHRISTENSEN, NE .
PHYSICAL REVIEW B, 1984, 29 (10) :5547-5553
[5]   X-RAY AND NEUTRON DIFFRACTION STUDY OF TETRAGONAL BARIUM TITANATE [J].
HARADA, J ;
PEDERSEN, T ;
BARNEA, Z .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 :336-&
[6]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[7]  
KUNC K, 1983, AB INITIO CALCULATIO
[8]   ENERGY-BANDS FOR KNIF3, SRTIO3, KMOO3, AND KTAO3 [J].
MATTHEISS, LF .
PHYSICAL REVIEW B, 1972, 6 (12) :4718-4740
[9]   MOLECULAR-ORBITAL STUDIES OF ABO3 PEROVSKITES BY THE SCF-MS-X-ALPHA METHOD - LOCAL-DENSITIES OF STATES, CHEMICAL BONDING AND OPTICAL-TRANSITIONS [J].
MICHELCALENDINI, FM ;
CHERMETTE, H ;
WEBER, J .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1980, 13 (08) :1427-1441
[10]   ORIGIN OF RAMAN-SCATTERING AND FERROELECTRICITY IN OXIDIC PEROVSKITES [J].
MIGONI, R ;
BILZ, H ;
BAUERLE, D .
PHYSICAL REVIEW LETTERS, 1976, 37 (17) :1155-1158