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

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Shekhar,  C.
Chandra Shekhar, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Qi,  Yanpeng
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Naumov,  Pavel G.
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Medvedev,  Sergey A.
Sergiy Medvediev, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Felser,  C.
Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

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.


Cite as: https://hdl.handle.net/21.11116/0000-0000-878A-C
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.