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Title: Lattice dynamics and thermal transport in multiferroic CuCrO 2

Abstract

Inelastic neutron and x-ray scattering measurements of phonons and spin waves were performed in the delafossite compound CuCrO2 over a wide range of temperature, and complemented with first-principles lattice dynamics simulations. The phonon dispersions and density of states are well reproduced by our density functional calculations, and reveal a strong anisotropy of Cu vibrations, which exhibit low-frequency modes of large amplitude parallel to the basal plane of the layered delafossite structure. The low frequency in-plane modes also show a systematic temperature dependence of neutron and x-ray scattering intensities. In addition, we find that spin fluctuations persist above 300 K, far above the Neel temperature for long-range antiferromagnetic order, T-N similar or equal to 24 K. Our modeling of the thermal conductivity, based on our phonon measurements and simulations, reveals a significant anisotropy and indicates that spin fluctuations above TN constitute an important source of phonon scattering, considerably suppressing the thermal conductivity compared to that of the isostructural but nonmagnetic compound CuAlO2.

Authors:
 [1];  [1];  [1];  [2];  [1];  [1];  [1];  [1];  [3];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States)
  3. Univ. of Tennessee, Knoxville, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS); Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC); Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1361328
Alternate Identifier(s):
OSTI ID: 1343331; OSTI ID: 1394380
Grant/Contract Number:  
AC05-00OR22725; SC0001299; FG02-09ER46577; SC0016166; AC02-06CH11357; AC02-05CH11231
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 95; Journal Issue: 5; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Bansal, Dipanshu, Niedziela, Jennifer L., May, Andrew F., Said, Ayman, Ehlers, Georg, Abernathy, Douglas L., Huq, Ashfia, Kirkham, Melanie, Zhou, Haidong, Delaire, Olivier, and Duke Univ., Durham, NC. Lattice dynamics and thermal transport in multiferroic CuCrO2. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.95.054306.
Bansal, Dipanshu, Niedziela, Jennifer L., May, Andrew F., Said, Ayman, Ehlers, Georg, Abernathy, Douglas L., Huq, Ashfia, Kirkham, Melanie, Zhou, Haidong, Delaire, Olivier, & Duke Univ., Durham, NC. Lattice dynamics and thermal transport in multiferroic CuCrO2. United States. https://doi.org/10.1103/PhysRevB.95.054306
Bansal, Dipanshu, Niedziela, Jennifer L., May, Andrew F., Said, Ayman, Ehlers, Georg, Abernathy, Douglas L., Huq, Ashfia, Kirkham, Melanie, Zhou, Haidong, Delaire, Olivier, and Duke Univ., Durham, NC. 2017. "Lattice dynamics and thermal transport in multiferroic CuCrO2". United States. https://doi.org/10.1103/PhysRevB.95.054306. https://www.osti.gov/servlets/purl/1361328.
@article{osti_1361328,
title = {Lattice dynamics and thermal transport in multiferroic CuCrO2},
author = {Bansal, Dipanshu and Niedziela, Jennifer L. and May, Andrew F. and Said, Ayman and Ehlers, Georg and Abernathy, Douglas L. and Huq, Ashfia and Kirkham, Melanie and Zhou, Haidong and Delaire, Olivier and Duke Univ., Durham, NC},
abstractNote = {Inelastic neutron and x-ray scattering measurements of phonons and spin waves were performed in the delafossite compound CuCrO2 over a wide range of temperature, and complemented with first-principles lattice dynamics simulations. The phonon dispersions and density of states are well reproduced by our density functional calculations, and reveal a strong anisotropy of Cu vibrations, which exhibit low-frequency modes of large amplitude parallel to the basal plane of the layered delafossite structure. The low frequency in-plane modes also show a systematic temperature dependence of neutron and x-ray scattering intensities. In addition, we find that spin fluctuations persist above 300 K, far above the Neel temperature for long-range antiferromagnetic order, T-N similar or equal to 24 K. Our modeling of the thermal conductivity, based on our phonon measurements and simulations, reveals a significant anisotropy and indicates that spin fluctuations above TN constitute an important source of phonon scattering, considerably suppressing the thermal conductivity compared to that of the isostructural but nonmagnetic compound CuAlO2.},
doi = {10.1103/PhysRevB.95.054306},
url = {https://www.osti.gov/biblio/1361328}, journal = {Physical Review B},
issn = {2469-9950},
number = 5,
volume = 95,
place = {United States},
year = {Thu Feb 09 00:00:00 EST 2017},
month = {Thu Feb 09 00:00:00 EST 2017}
}

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Cited by: 15 works
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