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Volume dependent magnetism in zinc-blende MnX (X=N,P,As,Sb,Bi) compounds
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science, Materials Theory.
2008 (English)In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 103, no 7, 07D704- p.Article in journal (Refereed) Published
Abstract [en]

Half-metallic ferromagnets are promising candidates for use in spintronic devices. In order to investigate the complex magnetism of such systems, we have studied the magnetic interactions in zinc-blende MnX (X=N,P,As,Bi,Sb) systems as a function of volume by ab initio density functional calculations. The calculated Heisenberg pair-exchange parameters show a strong volume dependence resulting in the transition from a metallic to a half-metallic behavior for certain systems. As a result, in MnAs, the calculated Curie temperatures, obtained from Monte Carlo simulations using ab initio exchange parameters and a classical Heisenberg Hamiltonian, increase with an increase in volume. Calculations of self-consistent noncollinear spin configurations indicate that spins deviate strongly from collinear ordering for low volumes whereas they align in a collinear ferromagnetic fashion for high volumes.

Place, publisher, year, edition, pages
2008. Vol. 103, no 7, 07D704- p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-149835DOI: 10.1063/1.2836679ISI: 000255043200464OAI: oai:DiVA.org:uu-149835DiVA: diva2:405977
Available from: 2011-03-24 Created: 2011-03-24 Last updated: 2017-12-11Bibliographically approved

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Sanyal, BiplabEriksson, Olle

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