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research article
Band gaps and dielectric constants of amorphous hafnium silicates: A first-principles investigation
Electronic band gaps and dielectric constants are obtained for amorphous hafnium silicates using first-principles methods. Models of amorphous (HfO2)(x)(SiO2)(1-x) for varying x are generated by ab initio molecular dynamics. The calculations show that the presence of Hf gives rise to low-lying conduction states which explain the experimentally observed nonlinear dependence of the band gap on hafnium content. Static dielectric constants are found to depend linearly on x, supporting recent experimental data. (c) 2007 American Institute of Physics.
Type
research article
Web of Science ID
WOS:000244420600062
Authors
Publication date
2007
Published in
Volume
90
Issue
8
Article Number
082907
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
October 8, 2009
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