MICROSCOPIC THEORY OF SURFACE SEGREGATION IN BINARY-ALLOYS

被引：18

作者：

DREYSSE, H

WILLE, LT

DEFONTAINE, D

机构：

[1] FLORIDA ATLANTIC UNIV,DEPT PHYS,BOCA RATON,FL 33431

[2] UNIV CALIF BERKELEY,DEPT MAT SCI & MINERAL ENGN,BERKELEY,CA 94720

来源：

SOLID STATE COMMUNICATIONS | 1991年 / 78卷 / 05期

关键词：

D O I：

10.1016/0038-1098(91)90683-M

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

A new method, involving a series of coupled electronic structure calculations and free energy minimizations, has been developed to determine surface compositions in binary alloys. Layer- and concentration-dependent point and pair interactions are calculated self-consistently by means of a configurational averaging procedure within the tight-binding recursion method and the Bragg-Williams approximation. Results for the segregation profile of Ti(c)Rh1-c above the bulk order-disorder temperature are discussed and found to be in good agreement with experiment.

引用

页码：355 / 358

页数：4

共 36 条

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[J]. JOURNAL OF PHYSICS F-METAL PHYSICS, 1983, 13 (12): : 2543 - 2567
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