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  A combined experimental and theoretical study of the structural, electronic and vibrational properties of bulk and few-layer Td-WTe2

Jana, M. K., Singh, A., Late, D. J., Rajamathi, C. R., Biswas, K., Felser, C., et al. (2015). A combined experimental and theoretical study of the structural, electronic and vibrational properties of bulk and few-layer Td-WTe2. Journal of Physics: Condensed Matter, 27(28): 285401, pp. 1-12. doi:10.1088/0953-8984/27/28/285401.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0028-4E6A-0 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-1CDE-7
Genre: Journal Article

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 Creators:
Jana, Manoj K.1, Author
Singh, Anjali1, Author
Late, Dattatray J.1, Author
Rajamathi, Catherine R.2, Author              
Biswas, Kanishka1, Author
Felser, Claudia3, Author              
Waghmare, Umesh V.1, Author
Rao, C. N. R.1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
3Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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 Abstract: The recent discovery of non-saturating giant positive magnetoresistance has aroused much interest in Td-WTe2. We have investigated structural, electronic and vibrational properties of bulk and few-layer Td-WTe2 experimentally and theoretically. Spin-orbit coupling is found to govern the semi-metallic character of Td-WTe2 and its structural link with the metallic 1 T form provides an understanding of its structural stability. There is a metal-to-insulator switch-over in the electrical conductivity and a change in the sign of the Seebeck coefficient around 373 K. Lattice vibrations of Td-WTe2 have been analyzed using first-principles calculations. Out of the 33 possible zone-center Raman active modes, five distinct Raman bands are observed around 112, 118, 134, 165 and 212 cm(-1) in bulk Td-WTe2. Based on symmetry analysis and calculated Raman tensors, we assign the intense bands at 165 cm(-1) and 212 cm(-1) to the A(1)' and A(1)'' modes, respectively. Most of the Raman bands stiffen with decreasing thickness, and the ratio of the integrated intensities of the A(1)'' to A(1)' bands decreases in the few-layer sample, while all the bands soften in both the bulk and few-layer samples with increasing temperature.

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Language(s): eng - English
 Dates: 2015-06-232015-07-22
 Publication Status: Published in print
 Pages: -
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 Rev. Method: -
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Title: Journal of Physics: Condensed Matter
  Abbreviation : J. Phys.: Condens. Matter
Source Genre: Journal
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Publ. Info: Bristol, UK : IOP Publishing
Pages: - Volume / Issue: 27 (28) Sequence Number: 285401 Start / End Page: 1 - 12 Identifier: ISSN: 0953-8984
CoNE: /journals/resource/954928562478