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Topological phase transition in the trirutile-type MgBi2O6

Author:
Shang, Fanfan  Wang, Zhenwei  Wang, Guangtao  


Journal:
PHYSICS LETTERS A


Issue Date:
2020


Abstract(summary):

Based on the first-principle calculations and k.p effective model analysis, we predicted a new topological semimetal (TSM) MgBi2O6. Without spin-orbit-coupling (SOC) and under the generalized-gradient-approximation (GGA), MgBi2O6 is a nodal-line semimetal. When the exchange-correlation energy was changed to HSE06, MgBi2O6 was trivial insulator in the equilibrium volume, but it became TSM under 7% hydrostatic tensile strain. MgBi2O6 might be an important platform to study the topological properties because of the two following advantages for measurements: (1) The nodal line, drumhead-liked surface state and Fermi Arc are very closely to the Fermi level; (2) The band structure is very "clean" (no other bulk bands except the related inverted conduction and valence bands around the Fermi level), which avoids the surface states been embedded into the bulk states. (C) 2020 Elsevier B.V. All rights reserved.


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