Tahini, H.; Chroneos, A.; Grimes, R. W. and Schwingenschlögl, U.
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|DOI (Digital Object Identifier) Link:||http://doi.org/10.1063/1.3653472|
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Density functional theory calculations are used to investigate the formation and diffusion of tin-vacancy pairs (SnV) in germanium (Ge). Depending upon the Fermi energy, SnV pairs can form in neutral, singly negative, or doubly negative charged states. The activation energies of diffusion, also as function of the Fermi energy, are calculated to lie between 2.48-3.65 eV, in agreement with and providing an interpretation of available experimental work.
|Item Type:||Journal Article|
|Copyright Holders:||2011 American Institute of Physics|
|Extra Information:||3 pp.|
|Keywords:||density functional theory; diffusion; elemental semiconductors; Fermi level; germanium; gradient methods; tin; vacancies (crystal)|
|Academic Unit/Department:||Mathematics, Computing and Technology > Engineering & Innovation
Mathematics, Computing and Technology
|Depositing User:||Alexander Chroneos|
|Date Deposited:||09 Nov 2012 10:10|
|Last Modified:||23 Feb 2016 20:05|
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