Publication

Band offsets at the Ge/GeO2 interface through hybrid density functionals

Alfredo Pasquarello
2009
Journal Articles

Abstract

Band offsets of the Ge/GeO2 interface are calculated through a hybrid density functional scheme. We first generate a model of disordered GeO2 through ab initio molecular dynamics to describe the oxide component. For addressing the interface, we then consider an atomistic model in which amorphous GeO2 is connected to crystalline Ge through a suboxide transition region showing regular structural parameters. The band offsets are obtained through the application of an alignment scheme, which reproduces the experimental band gaps of the interface components. The calculated valence band offset of 3.7 eV favors the low-energy side of the range of measured offsets.

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https://infoscience.epfl.ch/entities/publication/9878b733-c0f6-4f68-9f18-c75f3c350056

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Alfredo Pasquarello
2009
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/9878b733-c0f6-4f68-9f18-c75f3c350056

About this result

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