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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| Andre forfattere: | , , |
| Format: | article |
| Udgivet: |
2006
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| Fag: | |
| Online adgang: | http://dspace.utpl.edu.ec/handle/123456789/19275 |
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