Topological Phase Transition in Layered XIn2P2 (X = Ca, Sr)
Abstract
Based on fully relativistic first-principles calculations, we studied the topological properties of layered XIn2P2 (X = Ca, Sr). Band inversion can be induced by strain without SOC, forming one nodal ring in the kz = 0 plane, which is protected by the coexistence of time-reversal and mirror-reflection symmetry. Including SOC, a substantial band gap is opened along the nodal line and the line-node semimetal would evolve into a topological insulator. These results reveal a category of materials showing quantum phase transition from trivial semiconductor and topologically nontrivial insulator by the tuneable elastic strain engineering. Our investigations provide a new perspective about the formation of topological line-node semimetal under stain.
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