Unraveling the topology of ZrTe_{5} by changing temperature

We study the effects of temperature on the topological nature of ZrTe_{5}, which sits near the phase boundary between strong and weak topological insulating orders. Using first-principles calculations, we show that the band gap and the topological indices of ZrTe_{5} are extremely sensitive to therm...

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Main Authors: Bartomeu Monserrat, Awadhesh Narayan
Format: Article
Language:English
Published: American Physical Society 2019-12-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/PhysRevResearch.1.033181
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author Bartomeu Monserrat
Awadhesh Narayan
author_facet Bartomeu Monserrat
Awadhesh Narayan
author_sort Bartomeu Monserrat
collection DOAJ
description We study the effects of temperature on the topological nature of ZrTe_{5}, which sits near the phase boundary between strong and weak topological insulating orders. Using first-principles calculations, we show that the band gap and the topological indices of ZrTe_{5} are extremely sensitive to thermal expansion and that the electron-phonon interaction accounts for more than a third of the total temperature-dependent effects in ZrTe_{5}. We find that the temperature dependence of the band gap has an opposite sign in the strong and weak topological insulator phases. Based on this insight, we propose a robust and unambiguous method to determine the topological nature of any given sample of ZrTe_{5}: If the band gap decreases with temperature it is a strong topological insulator, and if it increases with temperature it is a weak topological insulator. An analogous strategy is expected to be generally applicable to other materials and to become particularly important in the vicinity of topological phase boundaries where other methods provide ambiguous results.
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spelling doaj.art-f574ecc9981d44648ac85dcf5b7256462024-04-12T16:47:44ZengAmerican Physical SocietyPhysical Review Research2643-15642019-12-011303318110.1103/PhysRevResearch.1.033181Unraveling the topology of ZrTe_{5} by changing temperatureBartomeu MonserratAwadhesh NarayanWe study the effects of temperature on the topological nature of ZrTe_{5}, which sits near the phase boundary between strong and weak topological insulating orders. Using first-principles calculations, we show that the band gap and the topological indices of ZrTe_{5} are extremely sensitive to thermal expansion and that the electron-phonon interaction accounts for more than a third of the total temperature-dependent effects in ZrTe_{5}. We find that the temperature dependence of the band gap has an opposite sign in the strong and weak topological insulator phases. Based on this insight, we propose a robust and unambiguous method to determine the topological nature of any given sample of ZrTe_{5}: If the band gap decreases with temperature it is a strong topological insulator, and if it increases with temperature it is a weak topological insulator. An analogous strategy is expected to be generally applicable to other materials and to become particularly important in the vicinity of topological phase boundaries where other methods provide ambiguous results.http://doi.org/10.1103/PhysRevResearch.1.033181
spellingShingle Bartomeu Monserrat
Awadhesh Narayan
Unraveling the topology of ZrTe_{5} by changing temperature
Physical Review Research
title Unraveling the topology of ZrTe_{5} by changing temperature
title_full Unraveling the topology of ZrTe_{5} by changing temperature
title_fullStr Unraveling the topology of ZrTe_{5} by changing temperature
title_full_unstemmed Unraveling the topology of ZrTe_{5} by changing temperature
title_short Unraveling the topology of ZrTe_{5} by changing temperature
title_sort unraveling the topology of zrte 5 by changing temperature
url http://doi.org/10.1103/PhysRevResearch.1.033181
work_keys_str_mv AT bartomeumonserrat unravelingthetopologyofzrte5bychangingtemperature
AT awadheshnarayan unravelingthetopologyofzrte5bychangingtemperature