Fotoluminiscencia del PbTiO<sub>3</sub> en estado amorfo analizada por métodos ab-initio periódicos
In this work we have carried out ab-initio calculations for the PbTiO3, with space group P4/mmm. The formalism of the density functional theory of has been used with the hybrid functional B3LYP. The analysis of the band structure and of the density of states shows that the gap is indirect, in the ca...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2004-06-01
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| Series: | Boletín de la Sociedad Española de Cerámica y Vidrio |
| Subjects: | |
| Online Access: | http://ceramicayvidrio.revistas.csic.es/index.php/ceramicayvidrio/article/view/446/465 |