Compression-induced magnetic obstructed atomic insulator and spin singlet state in antiferromagnetic KV2Se2O

Fuente: arXiv
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Autori principali: Chen, Liucheng, Yue, Jiayi, Cheng, Jingwen, Bai, Jianli, Zhang, Zexiao, Ma, Xiaoli, Hong, Fang, Chen, Genfu, Wang, Jian-Tao, Wang, Zhijun, Yu, Xiaohui
Natura: Preprint
Pubblicazione: 2025
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author Chen, Liucheng
Yue, Jiayi
Cheng, Jingwen
Bai, Jianli
Zhang, Zexiao
Ma, Xiaoli
Hong, Fang
Chen, Genfu
Wang, Jian-Tao
Wang, Zhijun
Yu, Xiaohui
author_facet Chen, Liucheng
Yue, Jiayi
Cheng, Jingwen
Bai, Jianli
Zhang, Zexiao
Ma, Xiaoli
Hong, Fang
Chen, Genfu
Wang, Jian-Tao
Wang, Zhijun
Yu, Xiaohui
contents Among the complex many-body systems, the metal-insulator transition stands out as a cornerstone and a particularly fertile ground for scientific inquiry. The established models including Mott insulator, Anderson localization and Peierls transition, are still insufficient to capture the complex and intertwined phenomena observed in certain material systems. KV2Se2O, a newly discovered room-temperature altermagnetic candidate exhibiting a spin-density-wave transition below 100 K, provides a unique platform to investigate the interplay of many-body effects and unconventional magnetism, specifically the anticipated metal-insulator transition under extreme conditions. Here, we report a compression-induced insulator by suppressing the metallic behavior without structural phase transition. The newly opened gap is estimated to be 40 meV at around 43.5 GPa, given direct evidence for the insulating state. A concurrent switching of carrier type demonstrates the large Fermi surface reconstruction crossing the metal-insulator transition. The density functional theory calculations indicate that the discovered V+2.5-based insulator is a magnetic obstructed atomic insulator, being a spin-singlet state with bonding orbital order. This work not only presents an archetype of a pressure-driven metal-insulator transition decoupled from structural change but also delivers fundamental physical insights into the metal-insulator transition.
format Preprint
id arxiv_https___arxiv_org_abs_2511_06712
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Compression-induced magnetic obstructed atomic insulator and spin singlet state in antiferromagnetic KV2Se2O
Chen, Liucheng
Yue, Jiayi
Cheng, Jingwen
Bai, Jianli
Zhang, Zexiao
Ma, Xiaoli
Hong, Fang
Chen, Genfu
Wang, Jian-Tao
Wang, Zhijun
Yu, Xiaohui
Strongly Correlated Electrons
Among the complex many-body systems, the metal-insulator transition stands out as a cornerstone and a particularly fertile ground for scientific inquiry. The established models including Mott insulator, Anderson localization and Peierls transition, are still insufficient to capture the complex and intertwined phenomena observed in certain material systems. KV2Se2O, a newly discovered room-temperature altermagnetic candidate exhibiting a spin-density-wave transition below 100 K, provides a unique platform to investigate the interplay of many-body effects and unconventional magnetism, specifically the anticipated metal-insulator transition under extreme conditions. Here, we report a compression-induced insulator by suppressing the metallic behavior without structural phase transition. The newly opened gap is estimated to be 40 meV at around 43.5 GPa, given direct evidence for the insulating state. A concurrent switching of carrier type demonstrates the large Fermi surface reconstruction crossing the metal-insulator transition. The density functional theory calculations indicate that the discovered V+2.5-based insulator is a magnetic obstructed atomic insulator, being a spin-singlet state with bonding orbital order. This work not only presents an archetype of a pressure-driven metal-insulator transition decoupled from structural change but also delivers fundamental physical insights into the metal-insulator transition.
title Compression-induced magnetic obstructed atomic insulator and spin singlet state in antiferromagnetic KV2Se2O
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2511.06712