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- Title
Structural, electronic and magnetic properties of MnB.
- Authors
MASROUR, R; HLIL, E; HAMEDOUN, M; BENYOUSSEF, A; MOUNKACHI, O; MOUSSAOUI, H
- Abstract
The self-consistent ab-initio calculations, based on density functional theory approach and using the full potential linear augmented plane wave method, are performed to investigate both electronic and magnetic properties of the MnB compounds. Polarized spin and spin-orbit coupling are included in calculations within the framework of the ferromagnetic state between two adjacent Mn atoms. Magnetic moment considered to lie along the (001) axes are computed. The antiferromagnetic and ferromagnetic energies of MnB systems are obtained. Obtained data from ab-initio calculations are used as input for the high-temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The exchange interactions between the magnetic atoms Mn-Mn in MnB are established by using the mean field theory. The HTSEs of the magnetic susceptibility with the magnetic moments in MnB ( m) through Ising model is given. The critical temperature T (K) is obtained by HTSEs applied to the magnetic susceptibility series combined with the Padé approximant method. The critical exponent γ associated with the magnetic susceptibility is deduced as well.
- Subjects
MAGNETIC properties of manganese compounds; ELECTRIC properties of metals; MAGNETIC structure; DENSITY functional theory; SPIN-orbit interactions; MAGNETIC moments
- Publication
Bulletin of Materials Science, 2015, Vol 38, Issue 4, p1065
- ISSN
0250-4707
- Publication type
Article
- DOI
10.1007/s12034-015-0937-5