SIMPLE ELECTRONIC MODEL FOR OXYGEN NONSTOICHIOMETRY IN LA2-XSRXCUO4-Y

被引：1

作者：

ALIGIA, AA

KOVAL, S

MIGONI, R

机构：

[1] COMIS NACL ENERGIA ATOM,INST BALSEIRO,RA-8400 BARILOCHE,RIO NEGRO,ARGENTINA

[2] UNIV NACL ROSARIO,INST FIS ROSARIO,RA-2000 ROSARIO,ARGENTINA

来源：

SOLID STATE COMMUNICATIONS | 1995年 / 95卷 / 01期

关键词：

HIGH-T-C SUPERCONDUCTORS; POINT DEFECTS;

D O I：

10.1016/0038-1098(95)00215-4

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We have calculated the loss in electrostatic and covalent energy when an O-2 ion is removed from the apical or plane positions in La2-xSrxCuO4-y. The Sr+2 ions are assumed to replace randomly La+3 ions. The electrostatic energy at an O position is calculated for each configuration of its nearest La, Sr ions, taking the rest of the ions into account by means of a self-consistent calculation of the average Madelung potential. The covalent energy is included by means of a simple expression which fits the dependence of the energy of the t - J model with the number of holes. We obtain a qualitative agreement with the observed dependence of the total number of vacancies y versus the Sr content x.

引用

页码：21 / 24

页数：4

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