Observation of thermally stable polar metallic state in perovskite nitride CeWN 3

Polar metals offer substantial potential for exotic quantum phenomena and multifunctional applications. However, the existence of a polar metal is fundamentally challenging owing to the screening of dipole-dipole interactions by conducting electrons. Specifically, a high-temperature–stabilized polar metal remains to be discovered. In this study, we report a thermally stable polar-metal state in perovskite cerium tungsten nitride. Synchrotron x-ray diffraction and electron microscopy reveal a polar Pna 2 1 structure, while second-harmonic generation demonstrates that the polar response persists up to 850 kelvins in argon. Electrical resistivity and optical conductivity measurements demonstrate metallic transport behavior, consistent with the itinerant electronic contribution derived from specific heat analysis. First-principles calculations reveal that the polar distortion and metallic conductivity originate from tungsten-centered nitrogen octahedra, where the off-center displacements of hexavalent tungsten ions govern polarity and hybridization between tungsten 5d and nitrogen 2p states contributes to itinerant carriers. This study establishes a record-high-temperature polar metal, opening a promising avenue for exploring robust polar and metallic materials in perovskite nitrides.

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Publication Details

Journal
Science Advances
Published
2026-09-25
DOI
https://doi.org/10.1126/sciadv.aeh6191
Primary Topic
Machine Learning in Materials Science
Type
article
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Observation of thermally stable polar metallic state in perovskite nitride CeWN 3

Jiawang Hong, Zhiwei Hu, Chang‐Yang Kuo, Zhen Chen et al.
Science Advances
Machine Learning in Materials Science
article

Observation of thermally stable polar metallic state in perovskite nitride CeWN 3

Jiawang Hong, Zhiwei Hu, Chang‐Yang Kuo, Zhen Chen, Lin Gu, Youwen Long, Xubin Ye, Zun‐Yi Deng, Chih‐Wen Pao, Zhao Pan, Xiao Wang, Cheng Dong, Zhiyu Liao, Chien-Te Chen, Shaoxuan Zheng, Zhaoliang Chen, Xianggang Qiu
article en

Abstract

Polar metals offer substantial potential for exotic quantum phenomena and multifunctional applications. However, the existence of a polar metal is fundamentally challenging owing to the screening of dipole-dipole interactions by conducting electrons. Specifically, a high-temperature–stabilized polar metal remains to be discovered. In this study, we report a thermally stable polar-metal state in perovskite cerium tungsten nitride. Synchrotron x-ray diffraction and electron microscopy reveal a polar Pna 2 1 structure, while second-harmonic generation demonstrates that the polar response persists up to 850 kelvins in argon. Electrical resistivity and optical conductivity measurements demonstrate metallic transport behavior, consistent with the itinerant electronic contribution derived from specific heat analysis. First-principles calculations reveal that the polar distortion and metallic conductivity originate from tungsten-centered nitrogen octahedra, where the off-center displacements of hexavalent tungsten ions govern polarity and hybridization between tungsten 5d and nitrogen 2p states contributes to itinerant carriers. This study establishes a record-high-temperature polar metal, opening a promising avenue for exploring robust polar and metallic materials in perovskite nitrides.

Science AdvancesVol. 12(39)
Beijing Institute of Technology (CN), National Yang Ming Chiao Tung University (TW), Chinese Academy of Sciences (CN), National Synchrotron Radiation Research Center (TW), Max Planck Institute for Chemical Physics of Solids (DE), Institute of Physics (CN), University of Chinese Academy of Sciences (CN), Tsinghua University (CN)
Openalex Percentile: Top 25%
Machine Learning in Materials Science
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