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Title: Strong spin-lattice coupling in CrSiTe 3

Abstract

CrSiTe 3 has attracted recent interest as a candidate single-layer ferromagnetic semiconductor, but relatively little is known about the bulk properties of this material. Here, we report single-crystal X-ray diffraction, magnetic properties, thermal conductivity, vibrational, and optical spectroscopies and compare our findings with complementary electronic structure and lattice dynamics principles calculations. The high temperature paramagnetic phase is characterized by strong spin-lattice interactions that give rise to glassy behavior, negative thermal expansion, and an optical response that reveals that CrSiTe 3 is an indirect gap semiconductor with indirect and direct band gaps at 0.4 and 1.2 eV, respectively. Measurements of the phonons across the 33 K ferromagnetic transition provide additional evidence for strong coupling between the magnetic and lattice degrees of freedom. In conclusion, the Si-Te stretching and Te displacement modes are sensitive to the magnetic ordering transition, a finding that we discuss in terms of the superexchange mechanism. Lastly, spin-lattice coupling constants are also extracted.

Authors:
ORCiD logo [1];  [1];  [1];  [1];  [2];  [3];  [3];  [3]; ORCiD logo [4];  [5];  [6];  [6]
  1. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Chemistry
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences
  4. Univ. of Florida, Gainesville, FL (United States). Dept. of Materials Science and Engineering
  5. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
  6. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1265417
Grant/Contract Number:  
AC05-00OR22725; DMR 1410428; FG02-01ER-45885
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
APL Materials
Additional Journal Information:
Journal Volume: 3; Journal Issue: 4; Journal ID: ISSN 2166-532X
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Casto, L. D., Clune, A. J., Yokosuk, M. O., Musfeldt, J. L., Williams, T. J., Zhuang, H. L., Lin, M. -W., Xiao, K., Hennig, R. G., Sales, B. C., Yan, J. -Q., and Mandrus, D.. Strong spin-lattice coupling in CrSiTe3. United States: N. p., 2015. Web. doi:10.1063/1.4914134.
Casto, L. D., Clune, A. J., Yokosuk, M. O., Musfeldt, J. L., Williams, T. J., Zhuang, H. L., Lin, M. -W., Xiao, K., Hennig, R. G., Sales, B. C., Yan, J. -Q., & Mandrus, D.. Strong spin-lattice coupling in CrSiTe3. United States. doi:10.1063/1.4914134.
Casto, L. D., Clune, A. J., Yokosuk, M. O., Musfeldt, J. L., Williams, T. J., Zhuang, H. L., Lin, M. -W., Xiao, K., Hennig, R. G., Sales, B. C., Yan, J. -Q., and Mandrus, D.. Thu . "Strong spin-lattice coupling in CrSiTe3". United States. doi:10.1063/1.4914134. https://www.osti.gov/servlets/purl/1265417.
@article{osti_1265417,
title = {Strong spin-lattice coupling in CrSiTe3},
author = {Casto, L. D. and Clune, A. J. and Yokosuk, M. O. and Musfeldt, J. L. and Williams, T. J. and Zhuang, H. L. and Lin, M. -W. and Xiao, K. and Hennig, R. G. and Sales, B. C. and Yan, J. -Q. and Mandrus, D.},
abstractNote = {CrSiTe3 has attracted recent interest as a candidate single-layer ferromagnetic semiconductor, but relatively little is known about the bulk properties of this material. Here, we report single-crystal X-ray diffraction, magnetic properties, thermal conductivity, vibrational, and optical spectroscopies and compare our findings with complementary electronic structure and lattice dynamics principles calculations. The high temperature paramagnetic phase is characterized by strong spin-lattice interactions that give rise to glassy behavior, negative thermal expansion, and an optical response that reveals that CrSiTe3 is an indirect gap semiconductor with indirect and direct band gaps at 0.4 and 1.2 eV, respectively. Measurements of the phonons across the 33 K ferromagnetic transition provide additional evidence for strong coupling between the magnetic and lattice degrees of freedom. In conclusion, the Si-Te stretching and Te displacement modes are sensitive to the magnetic ordering transition, a finding that we discuss in terms of the superexchange mechanism. Lastly, spin-lattice coupling constants are also extracted.},
doi = {10.1063/1.4914134},
journal = {APL Materials},
number = 4,
volume = 3,
place = {United States},
year = {Thu Mar 19 00:00:00 EDT 2015},
month = {Thu Mar 19 00:00:00 EDT 2015}
}

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