A quantum-chemical study of phosphor impurity in BaTiO3 crystal
Structural and electronic effects produced by a P impurity in the cubic and tetragonal BaTiO3 lattices are investigated using a simple quantum chemical computer code based on the Hartree-Fock methodology. The obtained atomic displacements due to the defect present in otherwise pure crystal are mainl...
Enregistré dans:
| Auteur principal: | |
|---|---|
| Autres auteurs: | |
| Format: | article |
| Publié: |
2007
|
| Sujets: | |
| Accès en ligne: | http://dspace.utpl.edu.ec/handle/123456789/19292 |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
Ajouter un tag 
