Non-trivial band topology in the superconductor AuSn4: a first principle study

Abstract

Abstract Topological semimetals such as Weyl or Dirac semimetal with superconductivity have emerged as a new class of topological materials to realize and study Majorana Fermion. This article reports the density functional theory calculated bulk electronic band structure of recently discovered topological superconductor candidate AuSn4. The study has been performed on AuSn4 considering two space groups symmetries viz. Aea2 and Ccce as reported earlier. This study is further extended to the calculation of Z2 invariants. The Fermi surfaces corresponding to the bands, which are responsible for non-trivial band topology along with the surface states are also mapped. The complete study suggests that AuSn4 is a topological semimetal. On AuSn4, it is the first report in the literature showing the non-trivial band topology based on first-principle calculations.