Revealing the Topological Phase Diagram of ZrTe5 Using the Complex Strain Fields of Microbubbles

Tajkov, Zoltán and Nagy, Dániel and Kandrai, Konrád and Koltai, János and Oroszlány, László and Süle, Péter and Horváth, Zsolt E. and Vancsó, Péter and Tapasztó, Levente and Nemes-Incze, Péter (2022) Revealing the Topological Phase Diagram of ZrTe5 Using the Complex Strain Fields of Microbubbles. NPJ : COMPUTATIONAL MATERIALS. pp. 1-7. ISSN 2057-3960

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Abstract

Topological materials host robust properties, unaffected by microscopic perturbations, owing to the global topological properties of the bulk electron system. Materials in which the topological invariant can be changed by easily tuning external parameters are especially sought after. Zirconium pentatelluride (ZrTe5) is one of a few experimentally available materials that reside close to the boundary of a topological phase transition, allowing the switching of its invariant by mechanical strain. Here, we unambiguously identify a topological insulator–metal transition as a function of strain, by a combination of ab initio calculations and direct measurements of the local charge density. Our model quantitatively describes the response to complex strain patterns found in bubbles of few layer ZrTe5 without fitting parameters, reproducing the mechanical deformation-dependent closing of the band gap observed using scanning tunneling microscopy. We calculate the topological phase diagram of ZrTe5 and identify the phase at equilibrium, enabling the design of device architectures, which exploit the topological switching characteristics of the system.

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