INTECIN   20395
INSTITUTO DE TECNOLOGIAS Y CIENCIAS DE LA INGENIERIA "HILARIO FERNANDEZ LONG"
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Ab-initio study of magnetic properties of SnO2-based Diluted Magnetic Semiconductors
Autor/es:
FERRARI, S.; F. D. SACCONE
Lugar:
Posadas
Reunión:
Congreso; 13er Congreso Interacional en Tecnología y Ciencia de Metalurgia y Materiales; 2013
Institución organizadora:
SAM-CONAMET
Resumen:
Diluted magnetic semiconductors (DMSs) have attracted widespread research activities because of their great potential as key materials for spintronic devices. These materials, in which a dopant such as a transition metal, substitutes for a small fraction a host element in the semiconductor lattice, exhibit ferromagnetism, and thus possess potential applicability in spintronics. To obtain quantum-mechanical understanding of electronic and spin structure, we have performed ab initio total energy calculations on SnO2:TM (TM=Ti, Mn, Fe, Co). We used the SIESTA program for the calculations which uses linear combination of real-space orbitals as a basis set, and norm-conserving pseudopotentials. The generalized gradient approximation (GGA) was used to describe the exchange-correlation interaction between the electrons. The stability of the ferromagnetic phase in SnO2-based DMS is investigated comprehensively.