Hydrogen impurity in SrTiO3: Structure, electronic properties and migration

Hydrogen impurity in SrTiO3: Structure, electronic properties and migration

The present paper reports a computational investigation of the geometry and electronic structure as well as the migration of a hydrogen impurity in the cubic SrTiO3 crystal. The study is done using an approach based on the Hartree-Fock theory and developed for periodic systems. It is found that the...

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Bibliographic Details
Main Author: Barreto, R. (author)
Other Authors: Stashans, A. (author), Villamagua Conza, L. (author), Procel, L. (author)
Format: article
Published: 2006
Subjects:
srtio3
hartree
fock method
h dopant
Online Access:http://dspace.utpl.edu.ec/handle/123456789/19275
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http://dspace.utpl.edu.ec/handle/123456789/19275

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