Quantum fluctuation in thermopower at the topological phase transition in CaSrX (X: Si, Ge, Sn, Pb) studied from first principles theory

Sreeparvathy, P C and V, Kanchana (2019) Quantum fluctuation in thermopower at the topological phase transition in CaSrX (X: Si, Ge, Sn, Pb) studied from first principles theory. Journal of Physics Condensed Matter, 31 (9). ISSN 0953-8984

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Abstract

The present density functional calculations propose the compounds CaSrX (X: Si, Ge, Sn, Pb) as strong topological insulators, with appreciable thermoelectric properties. Emergence of Dirac semi-metallic states has been observed in CaSrX (X: Si, Ge, Sn, Pb), which is induced by uni-axial strain along 'b' axis. CaSrSi and CaSrGe evolved as normal semiconductors with uni-axial strain. The trivial and non-trivial topological phases are evaluated by band inversion and Z 2 topological invariants. A comprehensive analysis of thermopower, electrical conductivity scaled by relaxation time at these Dirac semi-metallic states exposes the highly oscillating behaviour, which gives insight to quantum oscillations driven by uni-axial strain. Further the thermoelectric properties at strong topological insulating states and normal insulating states have been summarized, which reveals the potential thermoelectric properties of these materials.

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IITH Creators:
IITH CreatorsORCiD
V, KanchanaUNSPECIFIED
Item Type: Article
Subjects: Physics
Divisions: Department of Physics
Depositing User: Team Library
Date Deposited: 04 Feb 2019 06:14
Last Modified: 04 Feb 2019 06:14
URI: http://raiith.iith.ac.in/id/eprint/4786
Publisher URL: http://doi.org/10.1088/1361-648X/aafa07
OA policy: http://www.sherpa.ac.uk/romeo/issn/0953-8984/
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