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Main Authors: Yin, Yuqing, Jena, Nityasagar, Knoop, Florian, Garbarino, Gaston, Tasnádi, Ferenc, Trybel, Florian, Simak, Sergei I., Katsnelson, Mikhail I., Aslandukova, Alena, Aslandukov, Andrey, Li, Xiang, Antunes, Anaëlle, Akbar, Fariia Iasmin, Glazyrin, Konstantin, Fang, Haixing, Ball, James A. D., Dubrovinskaia, Natalia, Dubrovinsky, Leonid, Abrikosov, Igor A.
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2512.08349
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author Yin, Yuqing
Jena, Nityasagar
Knoop, Florian
Garbarino, Gaston
Tasnádi, Ferenc
Trybel, Florian
Simak, Sergei I.
Katsnelson, Mikhail I.
Aslandukova, Alena
Aslandukov, Andrey
Li, Xiang
Antunes, Anaëlle
Akbar, Fariia Iasmin
Glazyrin, Konstantin
Fang, Haixing
Ball, James A. D.
Dubrovinskaia, Natalia
Dubrovinsky, Leonid
Abrikosov, Igor A.
author_facet Yin, Yuqing
Jena, Nityasagar
Knoop, Florian
Garbarino, Gaston
Tasnádi, Ferenc
Trybel, Florian
Simak, Sergei I.
Katsnelson, Mikhail I.
Aslandukova, Alena
Aslandukov, Andrey
Li, Xiang
Antunes, Anaëlle
Akbar, Fariia Iasmin
Glazyrin, Konstantin
Fang, Haixing
Ball, James A. D.
Dubrovinskaia, Natalia
Dubrovinsky, Leonid
Abrikosov, Igor A.
contents Since the pioneering works of Peierls, one-dimensional materials have attracted great attention. Still, the synthesis of truly monoatomic chains remains elusive. In this study, we explore a novel path of experimental synthesis of monoatomic one-dimensional chains by their chemical stabilization in ionic compounds. We demonstrate that in synthesized at high pressure sodium halides Na4X5 (X = I, Br, Cl) with hP18 Ga4Ti5-type structures, transfer of valence electrons from cations to anions leads to the formation of halogen chains connected with other atoms only by ionic interaction and having one-dimensional electronic structure. The Peierls physics in the systems is confirmed by theoretical calculations, newly synthesized incommensurately modulated i-hP18-Na4X5 (X = I, Br, Cl) compounds, as well as by the discovered hP36 phases of Na4Cl5 and Na4Br5.
format Preprint
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institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Halogen Chains with One-Dimensional Semi-Metallic Electronic Structure and Peierls Physics in Polymorphs of Na4X5 (X = I, Br, Cl) Compounds
Yin, Yuqing
Jena, Nityasagar
Knoop, Florian
Garbarino, Gaston
Tasnádi, Ferenc
Trybel, Florian
Simak, Sergei I.
Katsnelson, Mikhail I.
Aslandukova, Alena
Aslandukov, Andrey
Li, Xiang
Antunes, Anaëlle
Akbar, Fariia Iasmin
Glazyrin, Konstantin
Fang, Haixing
Ball, James A. D.
Dubrovinskaia, Natalia
Dubrovinsky, Leonid
Abrikosov, Igor A.
Materials Science
Since the pioneering works of Peierls, one-dimensional materials have attracted great attention. Still, the synthesis of truly monoatomic chains remains elusive. In this study, we explore a novel path of experimental synthesis of monoatomic one-dimensional chains by their chemical stabilization in ionic compounds. We demonstrate that in synthesized at high pressure sodium halides Na4X5 (X = I, Br, Cl) with hP18 Ga4Ti5-type structures, transfer of valence electrons from cations to anions leads to the formation of halogen chains connected with other atoms only by ionic interaction and having one-dimensional electronic structure. The Peierls physics in the systems is confirmed by theoretical calculations, newly synthesized incommensurately modulated i-hP18-Na4X5 (X = I, Br, Cl) compounds, as well as by the discovered hP36 phases of Na4Cl5 and Na4Br5.
title Halogen Chains with One-Dimensional Semi-Metallic Electronic Structure and Peierls Physics in Polymorphs of Na4X5 (X = I, Br, Cl) Compounds
topic Materials Science
url https://arxiv.org/abs/2512.08349