Native Point Defect Energetics in GaSb: enabling p-type conductivity of undoped GaSb

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Volume Title

A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Date

2012-10-01

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Mcode

Degree programme

Language

en

Pages

7
1-7

Series

PHYSICAL REVIEW B, Volume 86, issue 14

Abstract

The energetics of native point defects in GaSb is studied using the density-functional theory within the hybrid functional scheme (HSE06). Our results indicate that the GaSb antisite has the lowest formation energy and could thus be the acceptor defect responsible for the p-type conductivity of undoped GaSb. We find also that the SbGa antisite has a remarkably low formation energy in Sb-rich growth conditions and it should act as a donor for all Fermi level positions in the band gap. However, we suggest that the structural metastability of the SbGa antisite or extrinsic point defects, namely carbon and in particular oxygen, may neutralize its compensating character.

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Keywords

defect energetics, GaSb, hybrid functional

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Citation

Virkkala , V , Havu , V , Tuomisto , F & Puska , M J 2012 , ' Native Point Defect Energetics in GaSb: enabling p-type conductivity of undoped GaSb ' , Physical Review B , vol. 86 , no. 14 , 144101 , pp. 1-7 . https://doi.org/10.1103/PhysRevB.86.144101