Phonons, magnons, and lattice thermal transport in antiferromagnetic semiconductor MnTe
Abstract
The antiferromagnetic semiconductor MnTe has recently attracted attention for spintronics and high-performance thermoelectric applications. However, little is known about its vibrational and thermal transport properties and how these might relate to the electronic and magnetic structure, particularly as related to 3d Mn orbital correlations. Here, we calculate a physically justified Coulomb correlation parameter within the DFT+U framework. We couple this framework with the Heisenberg Hamiltonian and first-principles Boltzmann transport to understand the magnetic, vibrational, and phonon thermal transport properties of MnTe. We also perform inelastic neutron and nuclear inelastic x-ray scattering measurements of the total and partial phonon density of states, respectively. Very good agreement is obtained with the measured and calculated phonon density of states, and with available measurements for the band gap, local magnetic moments, Néel temperature, magnon dispersion, thermal conductivity, and phonon dispersion. Here, this study demonstrates that the vibrational and magnetic degrees of freedom are not strongly coupled in MnTe, and provides a more comprehensive picture of this technologically promising material.
- Authors:
-
[1];
[1];
[1];
[1];
[1]
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
- Univ. of Bordeaux, Gradignan (France)
- Chinese Academy of Sciences (CAS), Beijing (China). Beijing National Lab. for Condensed Matter Physics, Inst. of Physics
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1494889
- Alternate Identifier(s):
- OSTI ID: 1494227
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Volume: 3; Journal Issue: 2; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; antiferromagnetic semiconductor; magnetism; thermal transport
Citation Formats
Mu, Sai, Hermann, Raphael P., Gorsse, Stephane, Zhao, Huaizhou, Manley, Michael E., Fishman, Randy Scott, and Lindsay, Lucas R. Phonons, magnons, and lattice thermal transport in antiferromagnetic semiconductor MnTe. United States: N. p., 2019.
Web. doi:10.1103/PhysRevMaterials.3.025403.
Mu, Sai, Hermann, Raphael P., Gorsse, Stephane, Zhao, Huaizhou, Manley, Michael E., Fishman, Randy Scott, & Lindsay, Lucas R. Phonons, magnons, and lattice thermal transport in antiferromagnetic semiconductor MnTe. United States. https://doi.org/10.1103/PhysRevMaterials.3.025403
Mu, Sai, Hermann, Raphael P., Gorsse, Stephane, Zhao, Huaizhou, Manley, Michael E., Fishman, Randy Scott, and Lindsay, Lucas R. Mon .
"Phonons, magnons, and lattice thermal transport in antiferromagnetic semiconductor MnTe". United States. https://doi.org/10.1103/PhysRevMaterials.3.025403. https://www.osti.gov/servlets/purl/1494889.
@article{osti_1494889,
title = {Phonons, magnons, and lattice thermal transport in antiferromagnetic semiconductor MnTe},
author = {Mu, Sai and Hermann, Raphael P. and Gorsse, Stephane and Zhao, Huaizhou and Manley, Michael E. and Fishman, Randy Scott and Lindsay, Lucas R.},
abstractNote = {The antiferromagnetic semiconductor MnTe has recently attracted attention for spintronics and high-performance thermoelectric applications. However, little is known about its vibrational and thermal transport properties and how these might relate to the electronic and magnetic structure, particularly as related to 3d Mn orbital correlations. Here, we calculate a physically justified Coulomb correlation parameter within the DFT+U framework. We couple this framework with the Heisenberg Hamiltonian and first-principles Boltzmann transport to understand the magnetic, vibrational, and phonon thermal transport properties of MnTe. We also perform inelastic neutron and nuclear inelastic x-ray scattering measurements of the total and partial phonon density of states, respectively. Very good agreement is obtained with the measured and calculated phonon density of states, and with available measurements for the band gap, local magnetic moments, Néel temperature, magnon dispersion, thermal conductivity, and phonon dispersion. Here, this study demonstrates that the vibrational and magnetic degrees of freedom are not strongly coupled in MnTe, and provides a more comprehensive picture of this technologically promising material.},
doi = {10.1103/PhysRevMaterials.3.025403},
journal = {Physical Review Materials},
number = 2,
volume = 3,
place = {United States},
year = {Mon Feb 11 00:00:00 EST 2019},
month = {Mon Feb 11 00:00:00 EST 2019}
}
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Works referencing / citing this record:
Lattice dynamical properties of antiferromagnetic MnO, CoO, and NiO, and the lattice thermal conductivity of NiO
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