Estudio ab-initio de la estabilidad de las propiedades estructurales y electrónicas del Bi1-xMgxO
Using the method in first-principles, we have investigated the structural and electronic properties of the compound Bi1-xMgxO with concentrations varying of 0%, 25%, 50%, 75% and 100% x of bismuth in the phase NaCl.We have used the Full Potential Lin...
- Autores:
-
Abdel Rahim-Garzón, Gladys Patricia
Rodríguez-Martínez, Jairo Arbey
Moreno-Armenta, María Guadalupe
- Tipo de recurso:
- Fecha de publicación:
- 2014
- Institución:
- Universidad Santo Tomás
- Repositorio:
- Repositorio Institucional USTA
- Idioma:
- spa
- OAI Identifier:
- oai:repository.usta.edu.co:11634/36111
- Acceso en línea:
- http://revistas.ustabuca.edu.co/index.php/ITECKNE/article/view/530
- Palabra clave:
- Rights
- License
- Copyright (c) 2018 ITECKNE
| Summary: | Using the method in first-principles, we have investigated the structural and electronic properties of the compound Bi1-xMgxO with concentrations varying of 0%, 25%, 50%, 75% and 100% x of bismuth in the phase NaCl.We have used the Full Potential Linearized Augmented Plane Wave Method (FP-LAPW). The exchange and correlation effects are treated using the Generalized Gradient Approximation (GGA) as it is implemented in the Perdew - Burke- Ernzerhof- method [1]. |
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