Publication

First principles study of electronic and structural properties of the Ge/GeO2 interface

Alfredo Pasquarello
2012
Conference Papers

Abstract

The electronic and structural properties of the Ge/GeO2 interface are addressed through a density functional simulation scheme which includes the use of hybrid functionals for achieving accurate band gaps, band offsets and defect levels. The present work discusses the germanium dangling bond levels, the thermodynamics of GeOx, the stability of the oxygen vacancy across Ge/HfO2 interfaces, the atomic structure of GeOx, electron and hole trapping in GeOx, and the band alignment at the Ge/GeO2 interface. (C) 2011 Elsevier B.V. All rights reserved.

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https://infoscience.epfl.ch/entities/publication/b1cd5759-ba6d-4d94-8b54-42807e0e139b

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Alfredo Pasquarello
2012
Conference Papers

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/b1cd5759-ba6d-4d94-8b54-42807e0e139b

About this result

Related concepts (32)

Band diagram

In solid-state physics of semiconductors, a band diagram is a diagram plotting various key electron energy levels (Fermi level and nearby energy band edges) as a function of some spatial dimension, which is often denoted x. These diagrams help to explain the operation of many kinds of semiconductor devices and to visualize how bands change with position (band bending). The bands may be coloured to distinguish level filling. A band diagram should not be confused with a band structure plot.

Heterojunction

A heterojunction is an interface between two layers or regions of dissimilar semiconductors. These semiconducting materials have unequal band gaps as opposed to a homojunction. It is often advantageous to engineer the electronic energy bands in many solid-state device applications, including semiconductor lasers, solar cells and transistors. The combination of multiple heterojunctions together in a device is called a heterostructure, although the two terms are commonly used interchangeably.

Anderson's rule

Anderson's rule is used for the construction of energy band diagrams of the heterojunction between two semiconductor materials. Anderson's rule states that when constructing an energy band diagram, the vacuum levels of the two semiconductors on either side of the heterojunction should be aligned (at the same energy). It is also referred to as the electron affinity rule, and is closely related to the Schottky–Mott rule for metal–semiconductor junctions. Anderson's rule was first described by R. L. Anderson in 1960.

Related publications (13)

First principles study of electronic and structural properties of the Ge/GeO2 interface

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