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Pressure-induced phase transition in Bi2Se3 at 3 GPa: electronic topological transition or not?

Bera, Achintya and Pal, Koushik and Muthu, DVS and Waghmare, UV and Sood, AK (2016) Pressure-induced phase transition in Bi2Se3 at 3 GPa: electronic topological transition or not? In: JOURNAL OF PHYSICS-CONDENSED MATTER, 28 (10).

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Official URL: http://dx.doi.org/10.1088/0953-8984/28/10/105401


In recent years, a low pressure transition around P similar to 3 GPa exhibited by the A(2)B(3)-type 3D topological insulators is attributed to an electronic topological transition (ETT) for which there is no direct evidence either from theory or experiments. We address this phase transition and other transitions at higher pressure in bismuth selenide (Bi2Se3) using Raman spectroscopy at pressure up to 26.2 GPa. We see clear Raman signatures of an isostructural phase transition at P similar to 2.4 GPa followed by structural transitions at similar to 10 GPa and 16 GPa. First-principles calculations reveal anomalously sharp changes in the structural parameters like the internal angle of the rhombohedral unit cell with a minimum in the c/a ratio near P similar to 3 GPa. While our calculations reveal the associated anomalies in vibrational frequencies and electronic bandgap, the calculated Z(2) invariant and Dirac conical surface electronic structure remain unchanged, showing that there is no change in the electronic topology at the lowest pressure transition.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the IOP PUBLISHING LTD, TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
Keywords: Raman; high pressure; topological insulator; electronic topological transition; Lifshitz transition
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Date Deposited: 02 Apr 2016 09:15
Last Modified: 02 Apr 2016 09:15
URI: http://eprints.iisc.ac.in/id/eprint/53536

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