Ab initio study of native defects in SnO under strain

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...

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Bibliographic Details
Published in:Europhysics letters 2014-04, Vol.106 (1), p.16001-P1-16001-p6
Main Authors: Granato, D. B., Albar, A., Schwingenschlögl, U.
Format: Article
Language:English
Subjects:
68.43.-h
73.20.-r
81.05.Fb
Charge
Compressing
Compressive properties
Defects
Density functional theory
N-type semiconductors
P-type semiconductors
Semiconductors
Strain
Tin
Tin oxides
Vacancies
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Summary: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.
ISSN:0295-5075
1286-4854
DOI:10.1209/0295-5075/106/16001