Lattice dynamics and thermal conductivity in antiferromagnetic semiconductor MnTe

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.