Monte Carlo determination of heteroepitaxial misfit structures

被引：5

作者：

Baker, J ^{[1
]}

Lindgard, PA ^{[1
]}

机构：

[1] RISO NATL LAB,DEPT CONDENSED MATTER PHYS,DK-4000 ROSKILDE,DENMARK

来源：

PHYSICAL REVIEW B | 1996年 / 54卷 / 16期

关键词：

D O I：

10.1103/PhysRevB.54.R11137

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We use Monte Carlo simulations to determine the structure of KBr overlayers on a NaCl(001) substrate, a system with large (17%) heteroepitaxial misfit. The equilibrium relaxation structure is determined for films of 2-6 ML, for which extensive helium-atom scattering data exist for comparison. The films are found to rumple with a periodicity in agreement with the diffraction peak positions, and with rumple magnitudes in agreement with those calculated from relative diffraction peak heights. Satellite peaks and streaks in the diffuse x-ray scattering are predicted.

引用

页码：11137 / 11140

页数：4

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