INVESTIGADORES
ERRICO Leonardo Antonio
congresos y reuniones científicas
Título:
Electronic Structure of the Semiconductor Alloys Sn1-xTixO2
Autor/es:
A. V. GIL REBAZA; A. M. MUDARRA NAVARRO; L. A. ERRICO; E. L. PELTZER Y BLANCÁ
Lugar:
La Plata
Reunión:
Conferencia; Sólidos ?15; 2015
Institución organizadora:
Departamento de Fisica - IFLP
Resumen:
Mixed oxides of rutile SnO2 and TiO2, alloys Sn1-xTixO2, have many technological applications as gas sensing, photocatalytic activity under UV light and visible range [1-2], giving enhancedresponse compared to the pure binary oxides. In the present work, we have studied the electronic structure of the semiconductors alloys Sn1-xTixO2, with rutile crystal structure, using abinitiocalculations based on the Density Functional Theory framework [3]. Different approximations to the exchange-correlation potential have been used, in order to achieve a betterdescription and understanding of the electronic structure of these alloys, such as GGA-PBE [4], Tran-Blaha modified Becke Johnson potential (TB-mBJ) [5] and the hybrid functionalHSE06 [6]. Furthermore, our theoretical values are in agreement with experimental data obtained from the literature [7-8].
