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Title: Evolution of the structural transition in Mo1–xWxTe2

Abstract

The composition dependence of the structural transition between the monoclinic 1T' and orthorhombic Td phases in the Mo1-xWxTe2 Weyl semimetal was investigated by elastic neutron scattering on single crystals up to x≈0.54. First observed in MoTe2, the transition from Td to 1T' is accompanied by an intermediate pseudo-orthorhombic phase, T*d. Upon doping with W, the T*d phase vanishes by x≈0.34. Above this concentration, a phase coexistence behavior with both Td and 1T' is observed instead. The interlayer in-plane positioning parameter δ, which relates to the 1T'β angle, decreases with temperature as well as with W substitution, likely due to strong anharmonicity in the interlayer interactions. The temperature width of the phase coexistence remains almost constant up to x≈0.54, in contrast to the broadening reported under pressure.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [3];  [5]; ORCiD logo [3];  [6];  [1]
  1. University of Virginia, Charlottesville, VA (United States)
  2. University of Virginia, Charlottesville, VA (United States); Rice University, Houston, TX (United States)
  3. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
  4. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); University of Tennessee, Knoxville, TN (United States)
  5. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
  6. University of Virginia, Charlottesville, VA (United States); New Jersey Institute of Technology, Newark, NJ (United States)
Publication Date:
Research Org.:
Univ. of Virginia, Charlottesville, VA (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1656766
Alternate Identifier(s):
OSTI ID: 1892383
Grant/Contract Number:  
FG02-01ER45927; AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B
Additional Journal Information:
Journal Volume: 102; Journal Issue: 5; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; First order phase transitions; Structural phase transition; Symmetry protected topological states

Citation Formats

Schneeloch, John A., Tao, Yu, Duan, Chunruo, Matsuda, Masaaki, Aczel, Adam A., Fernandez-Baca, Jaime A., Xu, Guangyong, Neuefeind, Jörg C., Yang, Junjie, and Louca, Despina. Evolution of the structural transition in Mo1–xWxTe2. United States: N. p., 2020. Web. doi:10.1103/physrevb.102.054105.
Schneeloch, John A., Tao, Yu, Duan, Chunruo, Matsuda, Masaaki, Aczel, Adam A., Fernandez-Baca, Jaime A., Xu, Guangyong, Neuefeind, Jörg C., Yang, Junjie, & Louca, Despina. Evolution of the structural transition in Mo1–xWxTe2. United States. https://doi.org/10.1103/physrevb.102.054105
Schneeloch, John A., Tao, Yu, Duan, Chunruo, Matsuda, Masaaki, Aczel, Adam A., Fernandez-Baca, Jaime A., Xu, Guangyong, Neuefeind, Jörg C., Yang, Junjie, and Louca, Despina. Tue . "Evolution of the structural transition in Mo1–xWxTe2". United States. https://doi.org/10.1103/physrevb.102.054105. https://www.osti.gov/servlets/purl/1656766.
@article{osti_1656766,
title = {Evolution of the structural transition in Mo1–xWxTe2},
author = {Schneeloch, John A. and Tao, Yu and Duan, Chunruo and Matsuda, Masaaki and Aczel, Adam A. and Fernandez-Baca, Jaime A. and Xu, Guangyong and Neuefeind, Jörg C. and Yang, Junjie and Louca, Despina},
abstractNote = {The composition dependence of the structural transition between the monoclinic 1T' and orthorhombic Td phases in the Mo1-xWxTe2 Weyl semimetal was investigated by elastic neutron scattering on single crystals up to x≈0.54. First observed in MoTe2, the transition from Td to 1T' is accompanied by an intermediate pseudo-orthorhombic phase, T*d. Upon doping with W, the T*d phase vanishes by x≈0.34. Above this concentration, a phase coexistence behavior with both Td and 1T' is observed instead. The interlayer in-plane positioning parameter δ, which relates to the 1T'β angle, decreases with temperature as well as with W substitution, likely due to strong anharmonicity in the interlayer interactions. The temperature width of the phase coexistence remains almost constant up to x≈0.54, in contrast to the broadening reported under pressure.},
doi = {10.1103/physrevb.102.054105},
journal = {Physical Review. B},
number = 5,
volume = 102,
place = {United States},
year = {Tue Aug 25 00:00:00 EDT 2020},
month = {Tue Aug 25 00:00:00 EDT 2020}
}

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