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  4. Electron density of states at Ge/oxide interfaces due to GeOx formation
 
conference paper

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

Binder, Jan Felix
•
Broqvist, Peter
•
Pasquarello, Alfredo  
April 2011
EMRS 2010 Spring Meeting on Post-Si-CMOS Electronic Devices - The Role of Ge and III-V Materials

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.

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strasbourg.pdf

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http://purl.org/coar/version/c_ab4af688f83e57aa

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openaccess

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c868f7c04f7bb0564a9a2d74516bfef0

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