Observation of Iso-Symmetric Structural and Lifshitz Transitions in Quasi-one-dimensional CrNbSe$_5$

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Hauptverfasser: Xu, Mingyu, Cheng, Peng, Huyan, Shuyuan, Bi, Wenli, Xu, Su-Yang, Bud'ko, Sergey L., Canfield, Paul C., Xie, Weiwei
Format: Preprint
Veröffentlicht: 2026
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author Xu, Mingyu
Cheng, Peng
Huyan, Shuyuan
Bi, Wenli
Xu, Su-Yang
Bud'ko, Sergey L.
Canfield, Paul C.
Xie, Weiwei
author_facet Xu, Mingyu
Cheng, Peng
Huyan, Shuyuan
Bi, Wenli
Xu, Su-Yang
Bud'ko, Sergey L.
Canfield, Paul C.
Xie, Weiwei
contents Chalcogenides-rich transition metal compounds host a rich landscape of emergent quantum phenomena that are intimately governed by their quasi-one-dimensional chemical-bonding frameworks and their response to external perturbations such as pressure. Here, we report a pressure-induced iso-symmetric structural transition in the quasi-one-dimensional compound CrNbSe$_5$, in which the electronic ground state is controlled not by symmetry breaking but by a continuous reorganization of local bonding interactions. Applied pressure reversibly tunes CrNbSe$_5$ between semiconducting and semimetallic states, enabling access to low- and high-carrier electronic regimes through direct modulation of metal-chalcogen bonding. High-pressure single-crystal X-ray diffraction directly resolves the evolution of Cr-Se and Nb-Se bond distances, coordination polyhedra, and connectivity, revealing a fully reversible semimetal-semiconductor-semimetal transition driven by gradual yet cooperative bond rearrangements within a preserved crystallographic symmetry. In contrast to chemical substitution, which irreversibly alters composition and introduces disorder, pressure acts as a clean, continuous control parameter that reshapes the bonding landscape without disrupting structural symmetry. These results establish CrNbSe$_5$ as a model system for electronically driven phase switching via tunable chemical bonding, highlighting iso-symmetric bond reorganization as a powerful design principle for pressure-controlled electronic and spintronic functionalities.
format Preprint
id arxiv_https___arxiv_org_abs_2603_12169
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Observation of Iso-Symmetric Structural and Lifshitz Transitions in Quasi-one-dimensional CrNbSe$_5$
Xu, Mingyu
Cheng, Peng
Huyan, Shuyuan
Bi, Wenli
Xu, Su-Yang
Bud'ko, Sergey L.
Canfield, Paul C.
Xie, Weiwei
Materials Science
Chalcogenides-rich transition metal compounds host a rich landscape of emergent quantum phenomena that are intimately governed by their quasi-one-dimensional chemical-bonding frameworks and their response to external perturbations such as pressure. Here, we report a pressure-induced iso-symmetric structural transition in the quasi-one-dimensional compound CrNbSe$_5$, in which the electronic ground state is controlled not by symmetry breaking but by a continuous reorganization of local bonding interactions. Applied pressure reversibly tunes CrNbSe$_5$ between semiconducting and semimetallic states, enabling access to low- and high-carrier electronic regimes through direct modulation of metal-chalcogen bonding. High-pressure single-crystal X-ray diffraction directly resolves the evolution of Cr-Se and Nb-Se bond distances, coordination polyhedra, and connectivity, revealing a fully reversible semimetal-semiconductor-semimetal transition driven by gradual yet cooperative bond rearrangements within a preserved crystallographic symmetry. In contrast to chemical substitution, which irreversibly alters composition and introduces disorder, pressure acts as a clean, continuous control parameter that reshapes the bonding landscape without disrupting structural symmetry. These results establish CrNbSe$_5$ as a model system for electronically driven phase switching via tunable chemical bonding, highlighting iso-symmetric bond reorganization as a powerful design principle for pressure-controlled electronic and spintronic functionalities.
title Observation of Iso-Symmetric Structural and Lifshitz Transitions in Quasi-one-dimensional CrNbSe$_5$
topic Materials Science
url https://arxiv.org/abs/2603.12169