FORMATION ENERGIES AND ABUNDANCES OF INTRINSIC POINT-DEFECTS AT GAAS/ALAS(100) INTERFACE

被引：5

作者：

HEINEMANN, M

SCHEFFLER, M

机构：

[1] Fritz-Haber-Institut der Max-Planck-Gesellschaft, D-1000 Berlin 33

来源：

APPLIED SURFACE SCIENCE | 1992年 / 56-8卷 / pt B期

关键词：

D O I：

10.1016/0169-4332(92)90312-L

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Formation energies and electronic structures of all intrinsic point defects on quasi-T(d) sites at the GaAs/AlAs(100) interface were calculated as a function of the chemical potentials of the electrons and atoms using density-functional theory. The results show that Al(Ga) and Ga(Al) will always be present in significant concentrations. Furthermore, we find that under As-rich conditions the cation vacancies and the anion antisite defects can occur in significant concentrations, whereas under As-poor conditions the cation antisites, cation interstitials and anion vacancies will play an important role.

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页码：628 / 631

页数：4

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