Ab-initio modeling of spintronic materials
2007 (English)In: Physica status solidi. A, Applied research, ISSN 0031-8965, E-ISSN 1521-396X, Vol. 204, no 1, 33-43 p.Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
2007. Vol. 204, no 1, 33-43 p.
IdentifiersURN: urn:nbn:se:uu:diva-151455DOI: 10.1002/pssa.200673001ISI: 000243787000004OAI: oai:DiVA.org:uu-151455DiVA: diva2:409966