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  Pressure-induced Lifshitz transition in NbP: Raman, x-ray diffraction, electrical transport, and density functional theory

Gupta, S. N., Singh, A., Pal, K., Muthu, D. V. S., Shekhar, C., Qi, Y., et al. (2018). Pressure-induced Lifshitz transition in NbP: Raman, x-ray diffraction, electrical transport, and density functional theory. Physical Review B, 97(6): 064102, pp. 1-9. doi:10.1103/PhysRevB.97.064102.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0000-878A-C Version Permalink: http://hdl.handle.net/21.11116/0000-0001-3A73-D
Genre: Journal Article

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 Creators:
Gupta, Satyendra Nath1, Author
Singh, Anjali1, Author
Pal, Koushik1, Author
Muthu, D. V. S.1, Author
Shekhar, C.2, Author              
Qi, Yanpeng3, Author              
Naumov, Pavel G.3, Author              
Medvedev, Sergey A.4, Author              
Felser, C.5, Author              
Waghmare, U. V.1, Author
Sood, A. K.1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Chandra Shekhar, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863428              
3Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
4Sergiy Medvediev, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863438              
5Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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 Abstract: We report high-pressure Raman, synchrotron x-ray diffraction, and electrical transport studies on Weyl semimetals NbP and TaP along with first-principles density functional theoretical (DFT) analysis. The frequencies of first-order Raman modes of NbP harden with increasing pressure and exhibit a slope change at P-c similar to 9GPa. The pressure-dependent resistivity exhibits a minimum at P-c. The temperature coefficient of resistivity below Pc is positive as expected for semimetals but changes significantly in the high-pressure phase. Using DFT calculations, we show that these anomalies are associated with a pressure-induced Lifshitz transition, which involves the appearance of electron and hole pockets in its electronic structure. In contrast, the results of Raman and synchrotron x-ray diffraction experiments on TaP and DFT calculations show that TaP is quite robust under pressure and does not undergo any phase transition.

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Language(s): eng - English
 Dates: 2018-02-052018-02-05
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1103/PhysRevB.97.064102
 Degree: -

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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 97 (6) Sequence Number: 064102 Start / End Page: 1 - 9 Identifier: ISSN: 1098-0121
CoNE: /journals/resource/954925225008