Comparison of vacancy and antisite defects in GaAs and InGaAs through hybrid functionals

被引：55

作者：

Komsa, Hannu-Pekka ^{[1
]}

Pasquarello, Alfredo ^{[1
]}

机构：

[1] Ecole Polytech Fed Lausanne, CSEA, CH-1015 Lausanne, Switzerland

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2012年 / 24卷 / 04期

基金：

瑞士国家科学基金会;

关键词：

IDENTIFICATION; INTERFACES; CHARGE;

D O I：

10.1088/0953-8984/24/4/045801

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The formation energies and charge transition levels of vacancy and antisite defects in GaAs and In0.5Ga0.5As are calculated through hybrid density functionals. In As-rich conditions, the As antisite is the most stable defect in both GaAs and InGaAs, except for n-type GaAs for which the Ga vacancy is favored. The Ga antisite shows the lowest formation energy in Ga-rich conditions. The As antisite provides a consistent interpretation of the defect densities measured at mid-gap for both GaAs/oxide and InGaAs/oxide interfaces.

引用

页数：4

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