Eur. Phys. J. B (2013) 86: 402
https://doi.org/10.1140/epjb/e2013-40585-1

Regular Article

First principle calculation of the electronic and magnetic properties of Mn-doped 6H-SiC

¹ Department of Physics, College of Science, Sultan Qaboos University, P.O. Box 36, Al-Khodh 123, Sultanate of Oman
² Pôle Energies Renouvelables et Etudes Pétrolières, Université Internationale de Rabat, Parc Technopolis Rabat-Shore, 11100 Sala El Jadida, Morocco
³ LSPM (CNRS-UPR 3407), Université Paris 13, 99 Av. J.B. Clément, 93430 Villetaneuse, France

^a e-mail: Mazri1976@hotmail.com

Received: 18 June 2013
Received in final form: 15 August 2013
Published online: 25 September 2013

Abstract

The electronic and magnetic properties of 6H-SiC with Mn impurities have been calculated using GGA formalism. Various configurations of Mn sites were considered. It was found that 6H-SiC doped with Mn atoms possess a moment for both types of substitution. The Mn atom at Si site possesses larger magnetic moment than Mn atom at C site. The energy levels appearing in the band gap due to vacancies and due to Mn impurities are determined and the calculated densities of states (DOSs) are used to analyse the different value of the magnetic moments for different types of substitution. A model that explains the magnetic moment at Mn site is proposed.