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Ab initio study of native defects in SnO under strain
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Ab initio study of native defects in SnO under strain
Ab initio study of native defects in SnO under strain
Details
Research Details
Tin monoxide (SnO) has promising properties to be applied as a p-type semiconductor in transparent electronics. To this end, it is necessary to understand the behaviour of defects in order to control them. We use density functional theory to study native defects of SnO under tensile and compressive strain. We show that Sn vacancies are less stable under tension and more stable under compression, irrespectively of the charge state. In contrast, O vacancies behave differently for different charge states. It turns out that the most stable defect under compression is the
charged O vacancy in an Sn-rich environment and the charge neutral O interstitial in an O-rich environment. Therefore, compression can be used to transform SnO from a p-type into either an n-type or an undoped semiconductor.
Publications
Research Publications
D. B. Granato
,
A. Albar
and
U. Schwingenschlogl
, EPL
106
, 16001
(2014).
No
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2018
King Abdullah University of Science and Technology. All rights reserved.
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http://teamsite.kaust.edu.sa/sites/cpms
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Computational Physics & Materials Science
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