DEFECT CLUSTERS IN WUSTITE, FE1-XO

被引：46

作者：

ANDERSON, AB

GRIMES, RW

HEUER, AH

机构：

[1] Case Western Reserve Univ, Dep of, Metallurgy & Materials Science,, Cleveland, OH, USA, Case Western Reserve Univ, Dep of Metallurgy & Materials Science, Cleveland, OH, USA

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 1984年 / 55卷 / 03期

关键词：

CRYSTALS; -; Defects;

D O I：

10.1016/0022-4596(84)90289-5

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A quantum chemical approach based on predominantly covalent 'normalized ion energies' has been developed for estimating structures and energies for defect clusters in quenched nonstoichiometric wustite (Fe//1// minus //xO). Small defect clusters of zinc blende structure show special stability over other clusters considered. Of these, either a 13:5 or 16:7 defect cluster (13 or 16 Fe**3** plus vacancies and 5 or 7 tetrahedral Fe**3** plus interstitials) have the proper structure and composition to account for the observed P prime and P double prime phases in wustite.

引用

页码：353 / 361

页数：9

共 27 条

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