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April 26, 2026Nano Letters

Stabilizing Topological States in ZrTe ₅ from First-Principles Defect Physics

Chia-Hsiu Hsu Zezhi Wang Sen Shao Yoshinori Okada Feng-Chuan Chuang X Q Dong Ilya Belopolski Cheng-Long Zhang Guoqing Chang

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Key Points

This research aims to explore how defects influence the stabilization of topological states in ZrTe5.
Utilized first-principles calculations to examine defect-induced electronic properties of ZrTe5.
Analyzed various types of defects including vacancies and interstitials in the crystalline structure.
Identified specific defects that enhance the stability of topological surface states.
Demonstrated a significant alteration in electronic properties due to intrinsic defects.

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Implication

Investigates topological state stabilization in ZrTe5, suggesting new pathways for material enhancement.

Abstract

ZrTe

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Cite This Study

Hsu et al. (2026) studied this question.

synapsesocial.com/papers/69f1a033edf4b46824806ec2 https://doi.org/10.1021/acs.nanolett.6c00242

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Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

1First-principles studies of fermiology in topological phases of bulk ZrTe$_5$2024
2Mechanical strain induced topological phase changes of monolayer and bilayer ZrTe5Original Research · 2026
3Electronic evidence of temperature-induced Lifshitz transition and topological nature in ZrTe5Original Research · 2017 · 271 citations
4Realization of monolayer ZrTe5 topological insulators with wide band gaps2024 · 23 citations
5Effects of strain and defects on the topological properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>HfTe</mml:mi><mml:mn>5</mml:mn></mml:msub></mml:math>2024 · 6 citations

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Unveiling the phases of bulk ZrTe<sub>5</sub> through magnetotransport phenomena2024

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