Segregation effects at vacancies in AlxGa1-xN and SixGe1-x alloys

被引：16

作者：

Boguslawski, P ^{[1
]}

Bernholc, J

机构：

[1] PAN, Inst Fizyki, PL-02668 Warsaw, Poland

[2] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA

来源：

PHYSICAL REVIEW B | 1999年 / 59卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.59.1567

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

It is shown by quantum molecular-dynamics calculations that the formation energies of vacancies in semiconductor alloys strongly depend on the chemical identities of their nearest-neighbor atoms. For example, in AlxGa1-xN alloys the Ga-terminated vacancy is lower in energy than the Al-terminated one by 2.8 eV, while the corresponding difference in SixGe1-x is 1 eV. This leads to unexpectedly strong preferences for vacancy termination in semiconductor alloys: The results also predict that local segregation will occur at grain boundaries and dislocations. [S0163-1829(99)03103-3].

引用

页码：1567 / 1570

页数：4

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