Lattice dynamics and thermal conductivity in antiferromagnetic semiconductor MnTe

ORAL

Abstract

We discuss electronic, magnetic, vibrational and transport properties of the antiferromagnetic semiconductor MnTe. This work derives physically justified Coulomb repulsion, magnetic structure and exchange parameters from density functional theory and the Heisenberg model. Calculated vibrational density of states, magnon and phonon dispersions compare favorably with literature values and our measurements from neutron scattering experiments. First principles Peierls-Boltzmann phonon transport calculations are also presented and show good agreement with measured values. Our work demonstrates that vibrational and magnetic degrees of freedom do not strongly couple in MnTe.

*L.L., R.P.H. and R.S.F acknowledge support from the U. S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.

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Presenters

  • Lucas Lindsay

    • Oak Ridge National Laboratory

Authors

  • Lucas Lindsay

    • Oak Ridge National Laboratory

  • Sai Mu

    • Oak Ridge National Laboratory
    • Materials Science and Technology Division, Oak Ridge National Laboratory
    • Department of Condensed Matter Physics and Materials Science, Oak Ridge National Laboratory

  • Raphael Hermann

    • Oak Ridge National Laboratory
    • Materials Science and Technology Division, Oak Ridge National Laboratory
    • Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge TN-37831-6064, USA

  • Stéphane Gorsse

    • CNRS, University of Bordeaux, ICMCB

  • Huaizhou Zhao

    • Institute of Physics, Chinese Academy of Sciences
    • Chinese Academy of Sciences, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics
    • Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China

  • Randy Fishman

    • Oak Ridge National Laboratory
    • Materials Science and Technology Division, Oak Ridge National Lab, Oak Ridge, Tennessee, USA