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arXiv · 1610.05128

Topological Semimetal-Insulator Quantum Phase Transition in Zintl Compounds Ba2X (X=Si, Ge)

Ziming Zhu·Mingda Li·Ju Li
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Abstract

By first-principles calculations, we find that Ba2X(X=Si, Ge) hosts a topological semimetal phase with one nodal ring in the kx=0 plane, which is protected by the glide mirror symmetry when spin-orbit coupling (SOC) is ignored. The corresponding drumheadlike surface flat band appears on the (100) surface in surface Green function calculation. Furthermore, a topological-semimetal-to-insulator transition (TSMIT) is found. The nodal line semimetal would evolve into topological insulator as SOC is turned on. The topologically protected metallic surface states emerge around the Gamma=0 point, which could be tuned into topologically-trivial insulator state by more than 3% hydrostatic strain. These results reveal a new category of materials showing quantum phase transition between topological semimetal and insulator, and tunability through elastic strain engineering.

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Ziming Zhu, Mingda Li, Ju Li. 2016-10-17. Topological Semimetal-Insulator Quantum Phase Transition in Zintl Compounds Ba2X (X=Si, Ge). https://doi.org/10.1103/physrevb.94.155121

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