STRUCTURAL PHASE-DIAGRAM OF BABIO3 IN THE POTENTIAL INDUCED BREATHING MODEL

被引：8

作者：

IVANOV, OV

MAKSIMOV, EG

MAZIN, II

机构：

[1] P.N. Lebedev Physical Institute, Academy of Sciences, the USSR, Moscow

来源：

SOLID STATE COMMUNICATIONS | 1990年 / 76卷 / 11期

关键词：

D O I：

10.1016/0038-1098(90)90573-T

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Structural stability of BaBiO3 and of BaKBi2O6 is studied using an ionic density- functional-based model. The Experimental structure is reasonably reproduced. It is shown that there is no instability against charge disproprtionation and against breathing distortion separatly, but there is an instability against them both simultaniously. This proves that at least partially the breathing instability is not due to the "nesting" effect. BaKBi2O6 is stable in the cubic structure, as in the experiment. © 1990.

引用

页码：1267 / 1272

页数：6

共 22 条

[1] IONIC CONTRIBUTIONS TO LATTICE INSTABILITIES AND PHONON-DISPERSION IN LA2CUO4 [J].