Electron density of states at Ge/oxide interfaces due to GeOx formation

An atomistic model of substoichiometric germanium oxide is generated through ab initio molecular dynamics. The resulting structure shows a predominance of threefold coordinated Ge and O atoms. We also generate substoichiometric models through bond-switching Monte-Carlo simulations, which preserve the fourfold Ge and the twofold O coordinations. These differing structures are energetically competitive. Alignment of their electron densities of states to that of GeO2 reveals that the band-gap reduction is similar for both structures, mainly occurring through a shift of the valence band edge. (C) 2010 Elsevier B.V. All rights reserved.


Published in:
Microelectronic Engineering, 88, 391-394
Presented at:
EMRS 2010 Spring Meeting on Post-Si-CMOS Electronic Devices - The Role of Ge and III-V Materials, Strasbourg, FRANCE, Jun 07-11, 2010
Year:
2011
Publisher:
Elsevier
ISSN:
0167-9317
Keywords:
Laboratories:




 Record created 2011-12-16, last modified 2018-03-17


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