Theoretical study of the elastic properties of the minerals Cu3TMSe4 (TM = V, Nb, Ta) by means of atomistic first-principles calculations
The elastic properties of the family of the iso-structural minerals Cu3VSe4, Cu3NbSe4 and Cu3TaSe4 have been calculated for the first time using the state of the art in first-principle atomistic calculations, using the Density Functional Theory and the Approach of the Generalized Gradient for the Fu...
- Autores:
-
Mario Ruiz, Carlos
Osorio-Gillén, Jorge M
- Tipo de recurso:
- Fecha de publicación:
- 2011
- Institución:
- Universidad EAFIT
- Repositorio:
- Repositorio EAFIT
- Idioma:
- spa
- OAI Identifier:
- oai:repository.eafit.edu.co:10784/14474
- Acceso en línea:
- http://hdl.handle.net/10784/14474
- Palabra clave:
- Elastic Properties
Elastic Constants
Mechanical Properties
Theory Of Density Functionalities
Propiedades Elásticas
Constantes Elásticas
Propiedades Mecánicas
Teoría De Los Funcionales De La Densidad
- Rights
- License
- Copyright (c) 2011 Carlos Mario Ruiz, Jorge M Osorio-Gillén