Tuning topological phases in the \textit{X}MnSb$_2$ system via chemical substitution from first principles

ORAL

Abstract

New Dirac materials are sought for their interesting fundamental physics and for their potential technological applications. Protected symmetries offer a route to potential zero mass Dirac and Weyl fermions, and can lead unique transport properties and spectroscopic signatures. In this work, we use first-principles calculations to study the \textit{X}MnSb$_2$ family of materials and show how varying \textit{X} changes the nature of bulk protected topological features in their electronic structure. We further discuss new design rules for predicting new topological materials suggested by our calculations.

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Authors

  • Sinead Griffin

    Department of Physics, UC Berkeley & Molecular Foundry, LBNL, Department of Physics, UC Berkeley; Molecular Foundry, LBNL

  • Jeffrey B. Neaton

    Department of Physics, UC Berkeley; Molecular Foundry, LBNL, Department of Physics, UC Berkeley & Molecular Foundry, LBNL, Department of Physics, UC Berkeley; Molecular Foundry, LBNL; Kavli Energy NanoScience Institute, Department of Physics, University of California, Berkeley, Lawrence Berkeley National Laboratory, Molecular Foundry, LBNL; Dept. of Physics, UC Berkeley; Kavli ENSI, LBNL, Univ of California - Berkeley, Lawrence Berkeley National Lab, Physics, UC Berkeley, and Molecular Foundry, LBNL, University of California, Molecular Foundry, Lawrence Berkeley National Lab; Dept. of Physics, University of California Berkeley; Kavli NanoScience Institute, Berkeley, CA, USA, Department of Physics, UC Berkeley; Molecular Foundry, LBNL; Kavli Energy NanoSciences Institute at Berkeley, Physics Department, UC Berkeley; Molecular Foundry, Lawrence Berkeley National Lab; Kavli Energy NanoSciences Institute at Berkeley