Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session D23: Advances in Probing and Designing Topological Materials: Theory and Experiment
3:00 PM–6:00 PM,
Monday, March 6, 2023
Room: Room 215
Sponsoring
Unit:
DCMP
Chair: Clifford Hicks, University of Birmingham
Abstract: D23.00013 : Pressure-driven tunable properties of the small-gap chalcopyrite topological quantum material ZnGeSb2: A first-principles study*
5:24 PM–5:36 PM
Author not Attending
Presenter:
Surasree Sadhukhan
(Indian Institute of Technology Goa)
Author:
Surasree Sadhukhan
(Indian Institute of Technology Goa)
topological phase of matter. In this search process, theoretical prediction is crucial besides the
obvious experimental verification. Divination of topological properties in already well-known
narrow gap semiconductors is flourishing in quantum material science. We revisited the
semiconductor compound in the chalcopyrite series, some of which were potential topological
materials. Using this density functional theory-based first-principles calculations, we report a
strong topologically nontrivial phase in chalcopyrite ZnGeSb 2 , which can act as a model system
of strained HgTe. The estimates reveal the non-zero topological invariant (Z 2 ), Dirac cone
crossing in the surface spectral functions with spin-momentum locked spin texture. We also
report the tunable topological properties from nontrivial to trivial phases under moderate
hydrostatic pressure within ≈7 GPa. A minor modification of a lattice parameter is enough to
achieve this topological phase transition easily accomplished in an experimental lab. We have
incorporated the discontinuity in the tetragonal distortion of non-centrosymmetric ZnGeSb 2 to
drive the topological quantum phase transition.
*S.S. acknowledged IIT Goa, Govt. of India, for providing a fellowship. S.K. thanks the Department of Science and Technology (DST), Govt. of India, for providing INSPIRE research funding (Grant No. DST/INSPIRE/04/2016/000431; IFA16-MS91).
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