Please use this identifier to cite or link to this item: http://dspace.iitrpr.ac.in:8080/xmlui/handle/123456789/4299
Title: Non-trivial band topology in Bi doped Lanthanum monopnictides (LaX; X = As and Sb)
Authors: Wadhwa, P.
Dhilip Kumar, T.J.
Shukla, A.
Kumar, R.
Keywords: First-principles calculations
Density functional theory
Topological materials
Extremely large magnetoresistance
Issue Date: 10-Dec-2022
Abstract: In this study, we report first-principles investigation of non-trivial topological characteristics in Bi doped Lanthanum monopnictides, particularly LaAs and LaSb. For this, we varied the concentration of Bi atoms in 1 × 1 × 2 supercell of LaAs and LaSb unit cells along [001] direction, and phonon-dispersion spectra of all these doped arrangements are observed to be dynamically stable.HSE06 band structure calculations with spin–orbit coupling reveal that the non-trivial topological characteristics starts appearing in 50% concentration of Bi atoms in the given supercells of LaAs and LaSb. The non-trivial topological characteristics in the proposed doped arrangements are verified by bulk band inversion, unit Z2 topological invariant, and a surface Dirac cone. Our findings provide promising candidates of non-trivial topological family, which may carry huge potential for extremely large magnetoresistance and spintronics applications.
URI: http://localhost:8080/xmlui/handle/123456789/4299
Appears in Collections:Year-2022

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