Microscopic origin of local electric polarization in NiPS<sub>3</sub>

نویسندگان

چکیده

Abstract Recently, Zhang-Rice triplet to singlet excitations have been measured&amp;#xD;experimentally and verified numerically in a van der Waals antiferromagnet NiPS 3 ,&amp;#xD;which reveals collective local change of an electronic structure. In particular, such&amp;#xD;numerical simulations predicted that these occur simultaneously&amp;#xD;with electric polarizations. this study, we uncover the microscopic origin of&amp;#xD;this polarization excitation. Our&amp;#xD;lattice-model calculation predicts can be controlled by&amp;#xD;applied magnetic fields, where atomic spin-orbit coupling plays important role.&amp;#xD;We speculate emergence real space Berry curvature describe polarization&amp;#xD;in strongly correlated system.&amp;#xD;

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ژورنال

عنوان ژورنال: New Journal of Physics

سال: 2023

ISSN: ['1367-2630']

DOI: https://doi.org/10.1088/1367-2630/aced64