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research article

Formation of substoichiometric GeOx at the Ge-HfO2 interface

Broqvist, Peter  
•
Binder, Jan Felix  
•
Pasquarello, Alfredo  
2010
Applied Physics Letters

The stability of oxygen vacancies across the Ge-HfO2 interface is studied through semilocal and hybrid density-functional calculations. On the semiconductor side, the formation energies are obtained for substoichiometric GeOx of varying x through the use of a bond-energy model. On the hafnium oxide side, the interface is modeled through bulk models with aligned band structures. Formation energies are compared for different charge states and Fermi energy levels. The oxygen vacancy is found to be most stable in the interfacial germanium oxide layer for both p-type and n-type doping. This favors the formation of substoichiometric GeOx, consistent with experimental observations. (C) 2010 American Institute of Physics. [doi:10.1063/1.3518491]

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Type
research article
DOI
10.1063/1.3518491
Web of Science ID

WOS:000284545200046

Author(s)
Broqvist, Peter  
Binder, Jan Felix  
Pasquarello, Alfredo  
Date Issued

2010

Publisher

American Institute of Physics

Published in
Applied Physics Letters
Volume

97

Issue

20

Article Number

202908

Subjects

1St Principles

•

Hfo2

•

(100)Ge/Hfo2

•

Defects

•

Silicon

•

Oxides

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
December 16, 2011
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/74924
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