Exploring topological phase transition in Pt2Hg1−xTlxSe3

Authors

  • Deergh Bahadur Shahi Central Department of Physics, Tribhuvan University, Kirtipur, 44613,Kathmandu, Nepal
  • Dipak Bhattarai Central Department of Physics, Tribhuvan University, Kirtipur, 44613,Kathmandu, Nepal
  • Madhav Prasad Ghimire Central Department of Physics, Tribhuvan University, Kirtipur, 44613,Kathmandu, Nepal https://orcid.org/0000-0003-2783-4008

DOI:

https://doi.org/10.3126/bibechana.v20i3.58632

Keywords:

Density functional theory, Jacutingaite materials, Spin-orbit coupling, Topological invariants, Topological phase transition

Abstract

The transition from trivial to non-trivial phase in two-dimensional materials are called a topological phase transition (TPT). The Berry phase, non-local string order parameter, and edge states define the topological nature of the system. A newly discovered jacutingaite ma- terial Pt2HgSe3 is a layered material which occurs naturally in the form of minerals. The material can be exfoliated and was predicted as a quantum spin Hall insulator. Here, on the basis of density functional theory and tight-binding calculations, we explore Pt2Hg1−xTlxSe3 (x = 0.25, 0.50, 0.75, 1) to understand the electronic and topological properties. We start with the parent material Pt2HgSe3 wherein Hg is replaced partially with x amount of Tl, to tune the topological phases. From the electronic structure calculations, Pt2HgSe3 is found to be a non-trivial semimetal in it’s bulk. Upon electron doping, the material transforms to strong topological metallic phase. The topological Z2 invariant calculation shows TPT in Pt2Hg1xTlxSe3 with weak topological insulating state (0;001) for x=0, to strong topological metal (1;000) for x=1, respectively.

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Published

2023-11-30

How to Cite

Shahi, D. B., Bhattarai, D., & Ghimire, M. P. (2023). Exploring topological phase transition in Pt2Hg1−xTlxSe3. BIBECHANA, 20(3), 309–315. https://doi.org/10.3126/bibechana.v20i3.58632

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Section

Research Articles

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