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| Auteurs principaux: | , , , , , |
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| Format: | Preprint |
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2026
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| Accès en ligne: | https://arxiv.org/abs/2603.12181 |
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| _version_ | 1866917335824072704 |
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| author | Boswell, Matt Santos, Antonio M. dos Xu, Mingyu Marshall, Madalynn Xu, Su-Yang Xie, Weiwei |
| author_facet | Boswell, Matt Santos, Antonio M. dos Xu, Mingyu Marshall, Madalynn Xu, Su-Yang Xie, Weiwei |
| contents | Exotic quantum phenomena often emerge near an electronic delocalization transition (EDT) from an antiferromagnetic insulating phase to a strongly correlated metallic state under pressure. We report the pressure-induced structural and magnetic evolution of the antiferromagnetic insulator CaMn$_2$Sb$_2$. Single-crystal X-ray diffraction reveals a first-order phase transition near 5.4 GPa from a trigonal P-3m1 structure to a monoclinic P2$_1$/m phase, accompanied by a ~7% volume collapse. Residual electron density analysis at intermediate pressures reveals charge localization along Mn-Sb chains, signaling electronic instability preceding the structural transition. Bonding analysis indicates anisotropic Mn-Sb orbital reconfiguration under pressure, driving a distorted square-pyramidal geometry. Neutron scattering confirms the transition and identifies a pressure-induced incommensurate magnetic order, distinct from the ambient antiferromagnetic state. In the monoclinic phase, zigzag Mn chains exhibit antiferromagnetic coupling along the ac-plane, enabled by enhanced orbital overlap. These results establish CaMn$_2$Sb$_2$ as a model system for studying the coupling of structural distortion, charge redistribution, and magnetic order in layered Mn pnictides under pressure. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_12181 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Pressure-Induced Chemical Bonding Effects on Lattice and Magnetic Instabilities in Antiferromagnetic Insulating CaMn$_2$Sb$_2$ Boswell, Matt Santos, Antonio M. dos Xu, Mingyu Marshall, Madalynn Xu, Su-Yang Xie, Weiwei Strongly Correlated Electrons Materials Science Exotic quantum phenomena often emerge near an electronic delocalization transition (EDT) from an antiferromagnetic insulating phase to a strongly correlated metallic state under pressure. We report the pressure-induced structural and magnetic evolution of the antiferromagnetic insulator CaMn$_2$Sb$_2$. Single-crystal X-ray diffraction reveals a first-order phase transition near 5.4 GPa from a trigonal P-3m1 structure to a monoclinic P2$_1$/m phase, accompanied by a ~7% volume collapse. Residual electron density analysis at intermediate pressures reveals charge localization along Mn-Sb chains, signaling electronic instability preceding the structural transition. Bonding analysis indicates anisotropic Mn-Sb orbital reconfiguration under pressure, driving a distorted square-pyramidal geometry. Neutron scattering confirms the transition and identifies a pressure-induced incommensurate magnetic order, distinct from the ambient antiferromagnetic state. In the monoclinic phase, zigzag Mn chains exhibit antiferromagnetic coupling along the ac-plane, enabled by enhanced orbital overlap. These results establish CaMn$_2$Sb$_2$ as a model system for studying the coupling of structural distortion, charge redistribution, and magnetic order in layered Mn pnictides under pressure. |
| title | Pressure-Induced Chemical Bonding Effects on Lattice and Magnetic Instabilities in Antiferromagnetic Insulating CaMn$_2$Sb$_2$ |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/2603.12181 |