Ferromagnetism in Rh-doped SnO2 from first-principles calculation

W.-Z. Xiao; H. Luo; J.-Y. Yang; D. Shuang

doi:10.1140/epjb/e2011-10778-9

EPJ

Ferromagnetism in Rh-doped SnO₂ from first-principles calculation

W.-Z. Xiao¹^a, H. Luo², J.-Y. Yang¹ and D. Shuang¹

¹ Department of Physics and Mathematics, Hunan Institute of Engineering, Xiangtan, 411104, P.R. China
² Department of Physics, Wenzhou University, Wenzhou, 325027, P.R. China

Received: 13 October 2010
Revised: 10 January 2011
Published online: 18 March 2011

Abstract

The electronic structures and magnetic properties for Rh-doped SnO₂ crystals have been investigated by density functional theory. The results demonstrate a magnetic moment, which mainly arises from d orbital of Rhodium, of 1.0 μ_B per Rhodium with a little contribution from the Oxygen atoms surrounding it. The Rh-doped SnO₂ system exhibits half-metallic ferromagnetism with high Curie temperature. Several doped configurations calculations show that there are some robust ferromagnetic couplings between these local magnetic moments. The p–d hybridization mechanism is responsible for the predicted ferromagnetism. These results suggest a recipe obtaining promising dilute magnetic semiconductor by doping nonmagnetic elements in SnO₂ matrix.