Symmetry-enforced metal-insulator transition and topological adiabatic charge pump in sliding bilayers of threefold symmetric materials

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Autori principali: Bravo, Sergio, Orellana, P. A., Rosales, L.
Natura: Preprint
Pubblicazione: 2024
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author Bravo, Sergio
Orellana, P. A.
Rosales, L.
author_facet Bravo, Sergio
Orellana, P. A.
Rosales, L.
contents Sliding bilayers are systems that exploit the possibility of relatively translating two monolayers along a specific direction in real space, such that different stackings could be implemented in the process. This simple approach allows for manipulating the electronic properties of layered materials similarly as in twisted multilayers. In this work, the sliding of bilayers, composed of one type of monolayer with spatial symmetry described by space group P$\bar{3}1m$ is studied. Using a minimal tight-binding model along with symmetry analysis, we propose two effects that arise in a specific sliding direction. First, the sliding-induced control of the band gap magnitude, which produces a metal-insulator transition, is demonstrated. In addition, the potential to achieve a topological adiabatic charge pump for cyclic sliding is discussed. For each effect, we also present material implementations using first-principles calculations. Bilayer GaS is selected for the metal-insulator transition and bilayer transition metal dichalcogenide ZrS$_2$ is found to display the topological pump effect. Both realizations show good agreement with the predictions of the model.
format Preprint
id arxiv_https___arxiv_org_abs_2405_02167
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Symmetry-enforced metal-insulator transition and topological adiabatic charge pump in sliding bilayers of threefold symmetric materials
Bravo, Sergio
Orellana, P. A.
Rosales, L.
Mesoscale and Nanoscale Physics
Materials Science
Sliding bilayers are systems that exploit the possibility of relatively translating two monolayers along a specific direction in real space, such that different stackings could be implemented in the process. This simple approach allows for manipulating the electronic properties of layered materials similarly as in twisted multilayers. In this work, the sliding of bilayers, composed of one type of monolayer with spatial symmetry described by space group P$\bar{3}1m$ is studied. Using a minimal tight-binding model along with symmetry analysis, we propose two effects that arise in a specific sliding direction. First, the sliding-induced control of the band gap magnitude, which produces a metal-insulator transition, is demonstrated. In addition, the potential to achieve a topological adiabatic charge pump for cyclic sliding is discussed. For each effect, we also present material implementations using first-principles calculations. Bilayer GaS is selected for the metal-insulator transition and bilayer transition metal dichalcogenide ZrS$_2$ is found to display the topological pump effect. Both realizations show good agreement with the predictions of the model.
title Symmetry-enforced metal-insulator transition and topological adiabatic charge pump in sliding bilayers of threefold symmetric materials
topic Mesoscale and Nanoscale Physics
Materials Science
url https://arxiv.org/abs/2405.02167