Table of Contents
Research Letters in Physics
Volume 2009, Article ID 406095, 4 pages
http://dx.doi.org/10.1155/2009/406095
Research Letter

Structural and Magnetic Properties of Mn-Based Diluted Magnetic Semiconductors and Alloys

Department of Physical Sciences, Jordan University of Science & Technology, P. O. Box 3030, Irbid 221100, Jordan

Received 21 June 2009; Accepted 4 August 2009

Academic Editor: Faustino Aguilera-Granja

Copyright © 2009 A. Alsaad. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Direct supercell approach calculations of the magnetic exchange interactions in Mn-doped ScN was carried out in the local spin density approximation by using the muffin-tin-orbital Green's function method. We found that magnetic interactions are long range interactions and affected by the randomness, band gap corrections, and carrier concentrations. Using total energy minimization approach we found that the global energy minimum of MnN is obtained for zinc-blende structure. If the compound is compressed by 6%, the energy minimum corresponds to the rock-salt structure in disagreement with the experimentally observed tetragonal distorted rock-salt structure, known as 𝜃 -phase. An isostructural phase transition for M n x S c 1 - x N alloys from MnN 𝜃 -phase to -ScN phase was found to occur at a hydrostatic pressure of 18 GPa. We predict above room temperature 𝑇 𝑐 for Mn concentrations of about 10% in ScN : Mn system.