Apparent discrepancies between thermodynamic data and theoretical calculations of the formation energy of an oxygen vacancy in silica

被引：16

作者：

Boureau, G

Carniato, S

机构：

[1] Laboratoire de Chimie Physique, Matière et Rayonnement, Univ. Pierre et Marie Curie, 75231 Paris Cedex 05, 11, rue Pierre et Marie Curie

来源：

SOLID STATE COMMUNICATIONS | 1996年 / 98卷 / 06期

关键词：

insulators; surfaces and interfaces; point defects; thermodynamic properties;

D O I：

10.1016/0038-1098(96)00148-2

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Quite recently ab initio determinations of the formation energy of an oxygen vacancy have become available. These results have been shown to be hard to reconcile with thermodynamic data.

引用

页码：485 / 487

页数：3

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