Estructura electrónica de aleación AlAs con red zincblende, calculadas con el método LMTO
The structure of energy bands, the density of states, the prohibited energy and the total energy calcu- lated using the linear mun-tin orbitals (LMTO) method in the framework of the density functional theory (DFT) in presented. The Schrödinger equation was solved with a parameterized potential in th...
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2020 |
| País: | Perú |
| Institución: | Universidad Nacional Mayor de San Marcos |
| Repositorio: | Revistas - Universidad Nacional Mayor de San Marcos |
| Idioma: | español |
| OAI Identifier: | oai:revistasinvestigacion.unmsm.edu.pe:article/20284 |
| Acceso en línea: | https://revistasinvestigacion.unmsm.edu.pe/index.php/fisica/article/view/20284 |
| Access Level: | acceso abierto |
| Palabra clave: | semiconductors, LMTO orbitals, zincblende lattice. semiconductors LMTO orbitals zincblende lattice |
| Sumario: | The structure of energy bands, the density of states, the prohibited energy and the total energy calcu- lated using the linear mun-tin orbitals (LMTO) method in the framework of the density functional theory (DFT) in presented. The Schrödinger equation was solved with a parameterized potential in the local density approximation (LDA) with the Barh-Hedin approximation for the term of exchange correlation. The electronic structure resulted in an indirect forbidden energy gap of 2.203 eV associated with a minimum total energy of −18.10 Ry and close to the experimental data. |
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