First principles investigation of topological phase in XMR material TmSb under hydrostatic pressure

Abstract

In this article, we report emergence of topological phase in XMR material TmSb under hydrostatic pressure using first principles calculations. We find that TmSb, a topologically trivial semimetal, undergoes a topological phase transition with band inversion at X point without breaking any symmetry under a hydrostatic pressure of 12 GPa. At 15 GPa, it again becomes topologically trivial with band inversion at Γ as well as X point. We find that the pressures corresponding to the topological phase transitions are far below the pressure corresponding to structural phase transition at 25.5 GPa. The reentrant behaviour of topological quantum phase with hydrostatic pressure would help in finding a correlation between topology and XMR effect through experiments.

Thermoelectric properties of half Heusler topological semi-metal LiAuTe

“…The calculated band structure is also similar to the topological half Heusler compound LaAuPb [18]. There are many reported results, which shows that the topological character as well as semi-metallic behavior of topological materials may be tuned by inducing strains and applying pressure [37,38]. Therefore, LiAuTe can be further explored and analyzed as per the desired applications.…”

Favouring a Dignified End to Human Life: Common Cause v. Union of India

“…This motivates us to systematically explore structural, electronic, and topological properties of YBi using density functional theory (DFT) with relatively accurate hybrid functional Heyd, Scuseria and Ernzerhof (HSE06). This functional had predicted accurate electronic states of other similar rare earth monopnctides and gave carrier densities in good agreements with experimental results [20,21,23,25,26]. We study the topological properties under external volumetric pressure and epitaxial strain and analysed the quantum phase transitions in detail.…”

“…LaSb [21], TmSb [23], TaAs [24] and YbAs [25] have been shown to become topologically non-trivial with pressure. Topological phase in LaSb [26], and SnTe [27] has also been observed under epitaxial strain and the same has been confirmed experimentally by angle-resolved photoemission spectroscopy (ARPES) in SnTe [27].…”

Strain effect on topological and thermoelectric properties of half Heusler compounds XPtS (X = Sr, Ba)

“…topological character is realized by the band inversion at the time-reversal invariant momenta (TRIM) points on inclusion of spin-orbit interactions, which are further verified by determining Z 2 topological invariant at these TRIM points as predicted by Kane-Mele model [7][8][9]. The topological character of materials can also be triggered by the spin-orbit coupling (SOC) strength as well as by external factors such as hydrostatic pressure, strain or doping [10,11]. Recently, the search for TI properties has been shifted from binary to ternary noncentrosymmetric half Heusler (HH) compounds [12][13][14][15][16][17][18][19].…”