TY - JOUR
AU - Shahi, Deergh Bahadur
AU - Bhattarai, Dipak
AU - Ghimire, Madhav Prasad
PY - 2023/11/30
Y2 - 2024/10/15
TI - Exploring topological phase transition in Pt2Hg1−xTlxSe3
JF - BIBECHANA
JA - BIBECHANA
VL - 20
IS - 3
SE - Research Articles
DO - 10.3126/bibechana.v20i3.58632
UR - https://www.nepjol.info/index.php/BIBECHANA/article/view/58632
SP - 309-315
AB - <p>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 Pt<sub>2</sub>HgSe<sub>3</sub> 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 Pt<sub>2</sub>Hg<sub>1−x</sub>Tl<sub>x</sub>Se<sub>3</sub> (x = 0.25, 0.50, 0.75, 1) to understand the electronic and topological properties. We start with the parent material Pt<sub>2</sub>HgSe<sub>3</sub> wherein Hg is replaced partially with x amount of Tl, to tune the topological phases. From the electronic structure calculations, Pt<sub>2</sub>HgSe<sub>3</sub> 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 Z<sub>2</sub> invariant calculation shows TPT in Pt<sub>2</sub>Hg<sub>1</sub>−<sub>x</sub>Tl<sub>x</sub>Se<sub>3</sub> with weak topological insulating state (0;001) for x=0, to strong topological metal (1;000) for x=1, respectively.</p>
ER -