ATOMISTIC COMPUTER-SIMULATIONS OF YTTRIUM-IRON-GARNET (YIG) AS AN APPROACH TO MATERIALS DEFECT CHEMISTRY .1. INTRINSIC DEFECTS

被引：60

作者：

DONNERBERG, H ^{[1
]}

CATLOW, CRA ^{[1
]}

机构：

[1] UCL ROYAL INST GREAT BRITAIN, DAVY FARADAY RES LAB, LONDON W1X 4BS, ENGLAND

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1993年 / 5卷 / 18期

关键词：

D O I：

10.1088/0953-8984/5/18/017

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

In this paper we report results of atomistic simulation studies of the formation of intrinsic defect structures in YIG. Using calculated defect formation energies we obtain energies for defect reactions, from which we determine the most favourable defect processes in yttrium iron garnet. Finally, we comment on some electronic properties of YIG crystals.

引用

页码：2947 / 2960

页数：14

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