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Title: Strong spin-lattice coupling in CrSiTe{sub 3}

CrSiTe{sub 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{sub 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. 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. Spin-lattice coupling constants are also extracted.
Authors:
; ; ;  [1] ;  [2] ; ; ;  [3] ;  [4] ;  [5] ; ;  [6]
  1. Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996 (United States)
  2. Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
  3. Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
  4. Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611 (United States)
  5. Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
  6. Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States)
Publication Date:
OSTI Identifier:
22415278
Resource Type:
Journal Article
Resource Relation:
Journal Name: APL materials; Journal Volume: 3; Journal Issue: 4; Other Information: (c) 2015 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ABSORPTION SPECTROSCOPY; CHROMIUM COMPOUNDS; COMPARATIVE EVALUATIONS; COUPLING CONSTANTS; DEGREES OF FREEDOM; ELECTRONIC STRUCTURE; FERROMAGNETIC MATERIALS; MAGNETIC PROPERTIES; MAGNETIZATION; MONOCRYSTALS; PARAMAGNETISM; PHONONS; SEMICONDUCTOR MATERIALS; SILICON TELLURIDES; SPIN; TEMPERATURE DEPENDENCE; THERMAL CONDUCTIVITY; THERMAL EXPANSION; X-RAY DIFFRACTION