Unusual strain relaxation and Dirac semimetallic behavior in epitaxial antiperovskite nitrides

Ting Cui; Zihan Xu; Qinghua Zhang; Xiaodong Zhang; Qianying Wang; Dongke Rong; Songhee Choi; Axin Xie; Hongyun Ji; Can Wang; Chen Ge; Hongjian Feng; Shanmin Wang; Kuijuan Jin; Liang Si; Er-Jia Guo

arXiv · 2512.18195

Unusual strain relaxation and Dirac semimetallic behavior in epitaxial antiperovskite nitrides

Ting Cui·Zihan Xu·Qinghua Zhang·Xiaodong Zhang·Qianying Wang·Dongke Rong·Songhee Choi·Axin Xie·Hongyun Ji·Can Wang·Chen Ge·Hongjian Feng·Shanmin Wang·Kuijuan Jin·Liang Si·Er-Jia Guo

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Abstract

Antiperovskite nitrides (X3AN) are the structural analogues to perovskite oxides, while their epitaxial growth and electronic properties remain largely unexplored. We report the successful synthesis of Ni3InN thin films on substrates with different lattice constants. First-principles phonon calculations confirm the dynamical stability of cubic phase Ni3InN, providing the basis for epitaxial synthesis. High-resolution scanning transmission electron microscopy reveals coherent (001)-oriented interfaces when Ni3InN is grown on LaAlO3 and SrTiO3, while an unexpected (011)-orientation forms on DyScO3, aligning with surface-energy predictions. Transport measurements highlight a strain-controlled Fermi-liquid behavior, correlated with variations in the Ni-3d bandwidth and hybridization. Band structure calculations reveal a dual character near the Fermi level: a high-mobility Dirac-like band and a Ni-3d manifold that drives strange-metal transport with a reduced slope compared to oxide perovskites. The formal Ni valence (+2/3) places Ni3InN in an overdoped correlated-metal regime, distinguishing from most perovskite oxides. This positions antiperovskite nitrides as a promising platform for investigating overdoped Fermi liquids and strange-metal behavior.

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Ting Cui, Zihan Xu, Qinghua Zhang, Xiaodong Zhang, Qianying Wang, Dongke Rong, Songhee Choi, Axin Xie, Hongyun Ji, Can Wang, Chen Ge, Hongjian Feng, Shanmin Wang, Kuijuan Jin, Liang Si, Er-Jia Guo. 2025-12-20. Unusual strain relaxation and Dirac semimetallic behavior in epitaxial antiperovskite nitrides. https://arxiv.org/abs/2512.18195

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