Halogen Chains with One-Dimensional Semi-Metallic Electronic Structure and Peierls Physics in Polymorphs of Na4X5 (X = I, Br, Cl) Compounds
Abstract
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.
Keywords
Cite
@article{arxiv.2512.08349,
title = {Halogen Chains with One-Dimensional Semi-Metallic Electronic Structure and Peierls Physics in Polymorphs of Na4X5 (X = I, Br, Cl) Compounds},
author = {Yuqing Yin and Nityasagar Jena and Florian Knoop and Gaston Garbarino and Ferenc Tasnádi and Florian Trybel and Sergei I. Simak and Mikhail I. Katsnelson and Alena Aslandukova and Andrey Aslandukov and Xiang Li and Anaëlle Antunes and Fariia Iasmin Akbar and Konstantin Glazyrin and Haixing Fang and James A. D. Ball and Natalia Dubrovinskaia and Leonid Dubrovinsky and Igor A. Abrikosov},
journal= {arXiv preprint arXiv:2512.08349},
year = {2025}
}