Ab initio calculation of relative permittivity of La-doped HfO sub(2)

First principles calculations of HfO sub(2) and La-doped HfO sub(2) structures were carried out to investigate the effect of La doping on the relative permittivity of HfO sub(2) films. In this study 6.25% of La was incorporated into HfO sub(2). Upon examination, we found out that La addition increas...

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Bibliographic Details
Published in:Physica. B, Condensed matter Condensed matter, 2014-12, Vol.454, p.184-188
Main Authors: Ong, T M, Xu, S
Format: Article
Language:English
Subjects:
Condensed matter
Dielectric constant
Distortion
Doping
Hafnium oxide
Mathematical analysis
Online Access:Get full text
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Summary:First principles calculations of HfO sub(2) and La-doped HfO sub(2) structures were carried out to investigate the effect of La doping on the relative permittivity of HfO sub(2) films. In this study 6.25% of La was incorporated into HfO sub(2). Upon examination, we found out that La addition increased the value of the relative permittivity from 19 to 26 and this was because the La-induced distortion increased the range of frequencies that contribute to the IR-active modes.
ISSN:0921-4526
DOI:10.1016/j.physb.2014.07.074