Structural stability of (Ga,M) As from first principles : Random alloys, ordered compounds, and superlattices
ABSTRACT: We calculate by a combination of density functional theory and mixed-basis cluster expansion the structural stability of ordered and disordered zincblende GaAs-MnAs systems. We find that the ground state of this system is phase separating into GaAs+MnAs, even though the strain energy is ne...
- Autores:
-
Osorio Guillén, Jorge Mario
Zhao, Yu-Jun
Barabash, Sergey V.
Zunger, Alex
- Tipo de recurso:
- Article of investigation
- Fecha de publicación:
- 2006
- Institución:
- Universidad de Antioquia
- Repositorio:
- Repositorio UdeA
- Idioma:
- eng
- OAI Identifier:
- oai:bibliotecadigital.udea.edu.co:10495/8299
- Acceso en línea:
- http://hdl.handle.net/10495/8299
- Palabra clave:
- Semiconductores
Semiconductors
Entalpía
Enthalpy
Ferromagnetismo
Ferromagnetism
Densidad
Density
Aleaciones
Alloys
Expansión
Conglomerados
Superredes
http://aims.fao.org/aos/agrovoc/c_2186
http://aims.fao.org/aos/agrovoc/c_295
- Rights
- openAccess
- License
- http://creativecommons.org/licenses/by-nc-nd/2.5/co/