Volume dependent magnetism in zinc-blende MnX (X=N,P,As,Sb,Bi) compounds
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
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.
IdentifiersURN: urn:nbn:se:uu:diva-149835DOI: 10.1063/1.2836679ISI: 000255043200464OAI: oai:DiVA.org:uu-149835DiVA: diva2:405977