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Anomalous temperature dependence of optical and acoustic phonons in Bi2Se3 arising from stacking faults

Prakash, Gyan and Pal, Koushik and Waghmare, U and Sood, A K (2019) Anomalous temperature dependence of optical and acoustic phonons in Bi2Se3 arising from stacking faults. In: PHYSICA SCRIPTA, 94 (11).

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Official URL: https://dx.doi.org/10.1088/1402-4896/ab30f5


The class of layered 3D-topological insulators have shown intriguingly anomalous temperature dependence in their thermal expansion coefficients. It was proposed that stacking faults are the origin of the observed anomalous thermal expansion. Here, using femtosecond pump-probe differential reflectivity measurements we probe the carrier and coherently generated totally symmetric A(1g) optical phonons in Bi2Se3. Transient signals also show a low frequency (similar to GHz) oscillations due to coherent longitudinal acoustic phonons. We extract temperature dependence of optical constants, sound velocity and Young's modulus of Bi2Se3 using the strain pulse propagation model. A remarkable anomalous behavior around similar to 180 K is observed in the temperature dependence of optical and acoustic phonons as well as the optical constants. First-principles density functional theory reveals that thermally activated formation of stacking faults is responsible for the anomalies observed in Bi2Se3, similar to case of Sb2Te3. We also show that inclusion of spin-orbit coupling plays an important role in reducing the total energy difference between the pristine and the faulted structures.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to IOP PUBLISHING LTD
Keywords: femtosecond pump-probe; coherent optical and acoustic phonons; density functional theory (DFT)
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Date Deposited: 10 Feb 2020 10:00
Last Modified: 10 Feb 2020 10:00
URI: http://eprints.iisc.ac.in/id/eprint/63575

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