Ab-initio modeling of spintronic materials

✍ Scribed by Sanyal, Biplab ;Eriksson, Olle

• Book ID: 105364086
• Publisher: John Wiley and Sons
• Year: 2007
• Tongue: English
• Weight: 473 KB
• Volume: 204
• Category: Article
• ISSN: 0031-8965
• DOI: 10.1002/pssa.200673001

✦ Synopsis

Abstract

Half‐metallic ferromagnets with high Curie temperatures are important ingredients for spintronics applications. These include diluted magnetic semiconductors and other ordered ferromagnetic compounds. In this paper, we present ab‐initio density functional electronic structure calculations of several spintronic materials addressing issues on the nature of exchange interactions, electron correlation effects, influence of defects, effects of disorder and volume dependence of exchange interactions. The calculations are done by two different methods, (i) plane wave projector augmented wave and (ii) Green function based Korringa–Kohn–Rostoker‐Coherent Potential Approximation (KKR‐CPA). We also present calculations of Curie temperatures using Monte‐Carlo simulations with effective Heisenberg Hamiltonian within the framework of ab‐initio methods. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)