Trigonal distortion in the Kitaev candidate honeycomb magnet BaCo2(AsO4)2
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2025
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| author | Ferreira-Carvalho, M. M. Rößler, S. Chang, C. F. Hu, Z. Valvidares, S. M. Gargiani, P. Haverkort, M. W. Mukharjee, Prashanta K. Gegenwart, P. Tsirlin, A. A. Tjeng, L. H. |
| author_facet | Ferreira-Carvalho, M. M. Rößler, S. Chang, C. F. Hu, Z. Valvidares, S. M. Gargiani, P. Haverkort, M. W. Mukharjee, Prashanta K. Gegenwart, P. Tsirlin, A. A. Tjeng, L. H. |
| contents | We conducted x-ray absorption (XAS) and magnetic circular dichroism (XMCD) measurements at the Co $L_{2,3}$ edges on single crystals of the Kitaev candidate honeycomb lattice compound BaCo$_2$(AsO$_4$)$_2$. The measurements employed the inverse partial fluorescence yield technique, which is ideal for acquiring reliable x-ray absorption spectra from highly insulating samples, enabling precise quantitative analysis. Our experimental results revealed a significant linear dichroic signal, indicating strong trigonal distortion in the CoO$_{6}$ octahedra in BaCo$_2$(AsO$_4$)$_2$. We performed a detailed analysis of the experimental XAS and XMCD spectra using a full-multiplet configuration-interaction cluster model. This analysis unveiled that the $t_{2g}$ hole density is predominantly localized in the $a_{1g}$ orbital. Through XMCD sum rules and theoretical calculations, we quantified both the spin and orbital magnetic moments. Our study demonstrates that the local electronic structure of the CoO$_{6}$ octahedra displays an effective trigonal distortion of approximately $-0.114$ eV. This distortion is larger than the Co $3d$ spin-orbit coupling constant, emphasizing the crucial impact of local structural distortions on the electronic and magnetic properties of BaCo$_2$(AsO$_4$)$_2$. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2509_06746 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Trigonal distortion in the Kitaev candidate honeycomb magnet BaCo2(AsO4)2 Ferreira-Carvalho, M. M. Rößler, S. Chang, C. F. Hu, Z. Valvidares, S. M. Gargiani, P. Haverkort, M. W. Mukharjee, Prashanta K. Gegenwart, P. Tsirlin, A. A. Tjeng, L. H. Strongly Correlated Electrons We conducted x-ray absorption (XAS) and magnetic circular dichroism (XMCD) measurements at the Co $L_{2,3}$ edges on single crystals of the Kitaev candidate honeycomb lattice compound BaCo$_2$(AsO$_4$)$_2$. The measurements employed the inverse partial fluorescence yield technique, which is ideal for acquiring reliable x-ray absorption spectra from highly insulating samples, enabling precise quantitative analysis. Our experimental results revealed a significant linear dichroic signal, indicating strong trigonal distortion in the CoO$_{6}$ octahedra in BaCo$_2$(AsO$_4$)$_2$. We performed a detailed analysis of the experimental XAS and XMCD spectra using a full-multiplet configuration-interaction cluster model. This analysis unveiled that the $t_{2g}$ hole density is predominantly localized in the $a_{1g}$ orbital. Through XMCD sum rules and theoretical calculations, we quantified both the spin and orbital magnetic moments. Our study demonstrates that the local electronic structure of the CoO$_{6}$ octahedra displays an effective trigonal distortion of approximately $-0.114$ eV. This distortion is larger than the Co $3d$ spin-orbit coupling constant, emphasizing the crucial impact of local structural distortions on the electronic and magnetic properties of BaCo$_2$(AsO$_4$)$_2$. |
| title | Trigonal distortion in the Kitaev candidate honeycomb magnet BaCo2(AsO4)2 |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2509.06746 |