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...

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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
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Copyright (c) 2011 Carlos Mario Ruiz, Jorge M Osorio-Gillén