Volume 106, Number 1, April 2014
|Number of page(s)||6|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||02 April 2014|
Ab initio study of native defects in SnO under strain
KAUST, Physical Science & Engineering Division - Thuwal 23955-6900, Kingdom of Saudi Arabia
Received: 9 October 2013
Accepted: 19 March 2014
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.
PACS: 68.43.-h – Chemisorption/physisorption: adsorbates on surfaces / 73.20.-r – Electron states at surfaces and interfaces / 81.05.Fb – Organic semiconductors
© EPLA, 2014
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.