Microscopic origin of local electric polarization in NiPS3
Recently, Zhang–Rice triplet to singlet excitations have been measured experimentally and verified numerically in a van der Waals antiferromagnet NiPS _3 , which reveals a collective local change of an electronic structure. In particular, such numerical simulations predicted that these electronic ex...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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IOP Publishing
2023-01-01
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| Series: | New Journal of Physics |
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| Online Access: | https://doi.org/10.1088/1367-2630/aced64 |
| _version_ | 1797741332638203904 |
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| author | Hyeon Jung Kim Ki-Seok Kim |
| author_facet | Hyeon Jung Kim Ki-Seok Kim |
| author_sort | Hyeon Jung Kim |
| collection | DOAJ |
| description | Recently, Zhang–Rice triplet to singlet excitations have been measured experimentally and verified numerically in a van der Waals antiferromagnet NiPS _3 , which reveals a collective local change of an electronic structure. In particular, such numerical simulations predicted that these electronic excitations occur simultaneously with local electric polarizations. In this study, we uncover the microscopic origin of this local electric polarization in the Zhang–Rice triplet to singlet excitation. Our lattice-model calculation predicts that the electric polarization can be controlled by applied magnetic fields, where the atomic spin–orbit coupling plays an important role. We speculate emergence of real space Berry curvature to describe the electric polarization in this strongly correlated system. |
| first_indexed | 2024-03-12T14:25:17Z |
| format | Article |
| id | doaj.art-71f9d742b50a4e319d1262e42aa4ff75 |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T14:25:17Z |
| publishDate | 2023-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-71f9d742b50a4e319d1262e42aa4ff752023-08-18T09:06:47ZengIOP PublishingNew Journal of Physics1367-26302023-01-0125808302910.1088/1367-2630/aced64Microscopic origin of local electric polarization in NiPS3Hyeon Jung Kim0https://orcid.org/0000-0001-8791-5390Ki-Seok Kim1Department of Physics, POSTECH , Pohang, Gyeongbuk 37673, Republic of KoreaDepartment of Physics, POSTECH , Pohang, Gyeongbuk 37673, Republic of Korea; Asia Pacific Center for Theoretical Physics (APCTP) , Pohang, Gyeongbuk 37673, Republic of KoreaRecently, Zhang–Rice triplet to singlet excitations have been measured experimentally and verified numerically in a van der Waals antiferromagnet NiPS _3 , which reveals a collective local change of an electronic structure. In particular, such numerical simulations predicted that these electronic excitations occur simultaneously with local electric polarizations. In this study, we uncover the microscopic origin of this local electric polarization in the Zhang–Rice triplet to singlet excitation. Our lattice-model calculation predicts that the electric polarization can be controlled by applied magnetic fields, where the atomic spin–orbit coupling plays an important role. We speculate emergence of real space Berry curvature to describe the electric polarization in this strongly correlated system.https://doi.org/10.1088/1367-2630/aced64strongly correlated systemspin–orbit couplingZhang–Rice stateelectric polarizationreal space berry curvature |
| spellingShingle | Hyeon Jung Kim Ki-Seok Kim Microscopic origin of local electric polarization in NiPS3 New Journal of Physics strongly correlated system spin–orbit coupling Zhang–Rice state electric polarization real space berry curvature |
| title | Microscopic origin of local electric polarization in NiPS3 |
| title_full | Microscopic origin of local electric polarization in NiPS3 |
| title_fullStr | Microscopic origin of local electric polarization in NiPS3 |
| title_full_unstemmed | Microscopic origin of local electric polarization in NiPS3 |
| title_short | Microscopic origin of local electric polarization in NiPS3 |
| title_sort | microscopic origin of local electric polarization in nips3 |
| topic | strongly correlated system spin–orbit coupling Zhang–Rice state electric polarization real space berry curvature |
| url | https://doi.org/10.1088/1367-2630/aced64 |
| work_keys_str_mv | AT hyeonjungkim microscopicoriginoflocalelectricpolarizationinnips3 AT kiseokkim microscopicoriginoflocalelectricpolarizationinnips3 |