THEORY OF SURFACE RUMPLING IN ROCK-SALT STRUCTURED IONIC-CRYSTALS

被引：41

作者：

SAWADA, S ^{[1
]}

NAKAMURA, K ^{[1
]}

机构：

[1] UNIV TOKYO,INST SOLID STATE PHYS,TOKYO 106,JAPAN

来源：

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1979年 / 12卷 / 06期

关键词：

D O I：

10.1088/0022-3719/12/6/030

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Surface lattice relaxations at finite temperatures are studied on the basis of Verwey's model for rock-salt structured ionic crystals with an (001) surface plane, with particular reference to sodium halide crystals. The temperature dependence of the ionic displacements, mean-square displacements (MSD) and induced moments of the surface ions are obtained in the classical limit with the framework of the extended self-consistent Einstein model. The MSD of cations perpendicular to the surface is found to hardly exceed that of the bulk ions. Unless the degree of rumpling is small at T=0K, the rumpling becomes enhanced and the induced moments of the anions grow at finite temperatures. Brief discussions on the mechanisms of the rumpling are also given.

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页码：1183 / 1193

页数：11

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