E centers in ternary Si1−x−yGexSny random alloys

Alexander Chroneos; H. Bracht; R. W. Grimes; C. Jiang; Udo Schwingenschlögl

doi:10.1063/1.3224894

E centers in ternary Si1−x−yGexSny random alloys

Alexander Chroneos, H. Bracht, R. W. Grimes, C. Jiang, Udo Schwingenschlögl

Computer, Electrical and Mathematical Sciences and Engineering

Research output: Contribution to journal › Article › peer-review

68 Scopus citations

Abstract

Density functional theory calculations are used to study the association of arsenic (As) atoms to lattice vacancies and the formation of As-vacancy pairs, known as E centers, in the random Si0.375Ge0.5Sn0.125 alloy. The local environments are described by 32-atom special quasirandom structures that represent random Si1−x−yGexSny alloys. It is predicted that the nearest-neighbor environment will exert a strong influence on the stability of E centers in ternary Si0.375Ge0.5Sn0.125.

Original language	English (US)
Pages (from-to)	112101
Journal	Applied Physics Letters
Volume	95
Issue number	11
DOIs	https://doi.org/10.1063/1.3224894
State	Published - Sep 14 2009

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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10.1063/1.3224894

https://repository.kaust.edu.sa/bitstream/10754/315740/1/E%20centers%20in%20ternary%20Si1%e2%88%92x%e2%88%92yGexSny%20random%20alloys.pdf

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title = "E centers in ternary Si1−x−yGexSny random alloys",

abstract = "Density functional theory calculations are used to study the association of arsenic (As) atoms to lattice vacancies and the formation of As-vacancy pairs, known as E centers, in the random Si0.375Ge0.5Sn0.125 alloy. The local environments are described by 32-atom special quasirandom structures that represent random Si1−x−yGexSny alloys. It is predicted that the nearest-neighbor environment will exert a strong influence on the stability of E centers in ternary Si0.375Ge0.5Sn0.125.",

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AU - Chroneos, Alexander

AU - Bracht, H.

AU - Grimes, R. W.

AU - Jiang, C.

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01

PY - 2009/9/14

Y1 - 2009/9/14

N2 - Density functional theory calculations are used to study the association of arsenic (As) atoms to lattice vacancies and the formation of As-vacancy pairs, known as E centers, in the random Si0.375Ge0.5Sn0.125 alloy. The local environments are described by 32-atom special quasirandom structures that represent random Si1−x−yGexSny alloys. It is predicted that the nearest-neighbor environment will exert a strong influence on the stability of E centers in ternary Si0.375Ge0.5Sn0.125.

AB - Density functional theory calculations are used to study the association of arsenic (As) atoms to lattice vacancies and the formation of As-vacancy pairs, known as E centers, in the random Si0.375Ge0.5Sn0.125 alloy. The local environments are described by 32-atom special quasirandom structures that represent random Si1−x−yGexSny alloys. It is predicted that the nearest-neighbor environment will exert a strong influence on the stability of E centers in ternary Si0.375Ge0.5Sn0.125.

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JO - Applied Physics Letters

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ER -

E centers in ternary Si1−x−yGexSny random alloys

Abstract

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