Pressure-induced topological phase transition in XMR material YbAs: a first-principles study

Singh, Mukhtiyar; Kumar, Ramesh; Bibiyan, Ramesh K.

doi:10.1140/epjp/s13360-022-02841-1

Cited by 5 publications

(3 citation statements)

References 42 publications

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“…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 monopnictides and gave carrier densities in good agreements with experimental results [19,20,22,24,25]. We study the topological properties under external volumetric pressure and epitaxial strain, and analysed the quantum phase transitions in detail.…”

Section: Introductionsupporting

confidence: 57%

“…The effect of volumetric pressure or epitaxial strain on any material reduces its bond length in the respective directions, bandwidth, and energy differences across the bands without affecting charge neutrality or stoichiometry. Various semimetals such as LaAs [19], LaSb [20], TmSb [22], TaAs [23] and YbAs [24] have been shown to become topologically non-trivial with pressure. Topological phase in LaSb [25], and SnTe [26] has also been observed under epitaxial strain and the same has been confirmed experimentally by angle-resolved photoemission spectroscopy (ARPES) in SnTe [26].…”

Section: Introductionmentioning

confidence: 99%

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Topological phase transition and tunable surface states in YBi

Kumar,

Singh

2024

J. Phys.: Condens. Matter

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A unique co-existence of extremely large magnetoresistance (XMR) and topological characteristics in non-magnetic rare-earth monopnictides has stimulated intensive research on these materials. Yttrium monobismuthide (YBi) has been reported to exhibit XMR up to 105% but its Topological properties still need clarification. Here we use the hybrid density functional theory to probe the structural, electronic, and topological properties of YBi in detail. We observe that YBi is topologically trivial semimetal at ambient pressure which is in accordance with reported experimental results. The topological phase transitions i.e., trivial to non-trivial are obtained with volumetric pressure of 6.5 GPa and 3% of epitaxial strain. This topological phase transitions are well within the structural phase transition of YBi (24.5 GPa). The topological non-trivial state is characterized by band inversions among Y-d band and Bi-p band at Γ- and X-point which is further verified with the help of surface band structure along (001) plane. The Z2 topological invariants are calculated with the help of product of parities and evolution of Wannier charge centers. The occurrence of non-trivial phase in YBi with a relatively small epitaxial strain, which a thin film geometry can naturally has, make it an ideal candidate to probe inter-relationship between XMR and non-trivial topology.

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Section: Introductionsupporting

confidence: 57%

Section: Introductionmentioning

confidence: 99%

Topological phase transition and tunable surface states in YBi

Kumar,

Singh

2024

J. Phys.: Condens. Matter

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“…Except for anisotropic transport, topological electronic states are proposed to emerge in the rare-earth monopnictide family. 34,42,[65][66][67] As known, nontrivial surface states are key fingerprints of topological materials. However, to date, little attention has been paid to this issue in the title compound.…”

Section: Resultsmentioning

confidence: 99%