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

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

Research output: Contribution to journalArticlepeer-review

30 Scopus citations

Abstract

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. 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.

Original languageEnglish
Article number7222
JournalScientific Reports
Volume4
DOIs
StatePublished - Nov 27 2014

Funding

FundersFunder number
Advanced Manufacturing Office
Office of Energy Efficiency and Renewable Energy
U.S. Department of Energy

    Fingerprint

    Dive into the research topics of 'Theoretical study on the role of dynamics on the unusual magnetic properties in MnBi'. Together they form a unique fingerprint.

    Cite this