Ab initio study of native defects in SnO under strain

Handle URI:
http://hdl.handle.net/10754/563481
Title:
Ab initio study of native defects in SnO under strain
Authors:
Bianchi Granato, Danilo; Albar, Arwa ( 0000-0001-7547-5105 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
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 +1 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. Copyright © EPLA, 2014.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
IOP Publishing
Journal:
EPL (Europhysics Letters)
Issue Date:
1-Apr-2014
DOI:
10.1209/0295-5075/106/16001
Type:
Article
ISSN:
02955075
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorBianchi Granato, Daniloen
dc.contributor.authorAlbar, Arwaen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T11:52:32Zen
dc.date.available2015-08-03T11:52:32Zen
dc.date.issued2014-04-01en
dc.identifier.issn02955075en
dc.identifier.doi10.1209/0295-5075/106/16001en
dc.identifier.urihttp://hdl.handle.net/10754/563481en
dc.description.abstractTin 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 +1 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. Copyright © EPLA, 2014.en
dc.publisherIOP Publishingen
dc.titleAb initio study of native defects in SnO under strainen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalEPL (Europhysics Letters)en
kaust.authorSchwingenschlögl, Udoen
kaust.authorBianchi Granato, Daniloen
kaust.authorAlbar, Arwaen
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