INVESTIGADORES
ERRICO Leonardo Antonio
artículos
Título:
Ab-initio study of the magnetic ordering in the semiconductors MnxTi1-xO2, CoxTi1-xO2, and FexTi1-xO2
Autor/es:
L. ERRICO, M. WEISSMANN, M. RENTERÍA
Revista:
PHYSICA B - CONDENSED MATTER
Editorial:
Elsevier
Referencias:
Lugar: Amsterdam; Año: 2004 vol. 354 p. 338 - 340
ISSN:
0921-4526
Resumen:
In this work we present a set of density-functional-theory calculations in the systems MnxTi1xO2, FexTi1xO2, andCoxTi1xO2. The calculations were performed with the full-potential linearized augmented plane wave method,assuming that the magnetic impurities substitutionally replace the Ti ions and considering different distributions ofthem in the host lattice. Our results show that the system CoxTi1xO2 is ferromagnetic, while MnxTi1xO2 isantiferromagnetic. In both cases, this is independent of the distribution of the impurities in the TiO2 lattice. First resultsobtained in the system FexTi1xO2 are also presented.
