Theoretical study on the role of dynamics on the unusual magnetic properties in MnBi

Shanavas, K. V.; Parker, David; Singh, David J.

doi:10.1038/srep07222

Title: Theoretical study on the role of dynamics on the unusual magnetic properties in MnBi

Journal Article · Thu Nov 27 00:00:00 EST 2014 · Scientific Reports

DOI:https://doi.org/10.1038/srep07222· OSTI ID:1259687

Shanavas, K. V. ^[1]; Parker, David ^[1]; Singh, David J. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Here we study the electronic structure and lattice dynamics in the ferromagnet MnBi using first-principles calculations and a tight-binding model. The band structure around the Fermi level is dominated by Bi-p states which are the primary contributors to the magnetic anisotropy energy in the low temperature structure. A tight-binding model consisting of Mn-d and Bi-p states is developed and the parameters are determined from first-principles calculations. Phonon dispersions and elastic moduli exhibit several interesting features. In conclusion, the results imply that the magnetic interaction with the crystal lattice in MnBi is considerably more complex than previously thought and in particular that there is a rich interplay between phonons and magnetism involving both magnetoelastic and magnetostrictive coupling.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

OSTI ID:: 1259687

Journal Information:: Scientific Reports, Vol. 4; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 30 works

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Cited By (4)

Discovery of ferromagnetism with large magnetic anisotropy in ZrMnP and HfMnP Lamichhane, Tej N.; Taufour, Valentin; Masters, Morgan W. Applied Physics Letters, Vol. 109, Issue 9 https://doi.org/10.1063/1.4961933	journal	August 2016
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Discovery of ferromagnetism with large magnetic anisotropy in ZrMnP and HfMnP Lamichhane, Tej N.; Taufour, Valentin; Masters, Morgan W. arXiv https://doi.org/10.48550/arxiv.1612.03166	text	January 2016
Correlations and incipient antiferromagnetic order within the linear Mn chains of metallic Ti$_4$MnBi$_2$ Pandey, Abhishek; Miao, Ping; Klemm, M. arXiv https://doi.org/10.48550/arxiv.2001.02006	text	January 2020

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