Internal and External Field Effects upon Crystal Field Excitations in REFeO$_3$ (RE = Nd$^{3+}$, Er$^{3+}$, Yb$^{3+}$, Pr$^{3+}$, and Ho$^{3+}$)
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| Format: | Preprint |
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2025
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| _version_ | 1866915758251966464 |
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| author | Deng, Guochu |
| author_facet | Deng, Guochu |
| contents | We systematically investigated crystal-field (CF) excitations of Kramers (Nd$^{3+}$, Er$^{3+}$, Yb$^{3+}$) and non-Kramers (Pr$^{3+}$, Ho$^{3+}$) rare-earth ions in $REFeO_3$ using optimized CF simulations. Internal magnetic fields from the Fe$^{3+}$ and RE$^{3+}$ sublattices split the ground-state doublets of all Kramers ions (e.g. $NdFeO_3$, $ErFeO_3$, and $YbFeO_3$), generating low-energy excitations around 1 meV. In non-Kramers systems, low-energy excitations arise only when the ground state forms an accidental pseudo-doublet, as observed for Ho$^{3+}$ in $HoFeO_3$; such pseudo-doublets exhibit field-induced splitting analogous to Kramers ions. In contrast, true singlet ground states, exemplified by Pr$^{3+}$, show no zero-field splitting. Strong anisotropies are found in both internal- and external-field responses of the CF excitations in these $REFeO_3$. These results provide a unified explanation for the anomalous Zeeman splitting of CF ground states in $REFeO_3$. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2505_04976 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Internal and External Field Effects upon Crystal Field Excitations in REFeO$_3$ (RE = Nd$^{3+}$, Er$^{3+}$, Yb$^{3+}$, Pr$^{3+}$, and Ho$^{3+}$) Deng, Guochu Strongly Correlated Electrons Other Condensed Matter We systematically investigated crystal-field (CF) excitations of Kramers (Nd$^{3+}$, Er$^{3+}$, Yb$^{3+}$) and non-Kramers (Pr$^{3+}$, Ho$^{3+}$) rare-earth ions in $REFeO_3$ using optimized CF simulations. Internal magnetic fields from the Fe$^{3+}$ and RE$^{3+}$ sublattices split the ground-state doublets of all Kramers ions (e.g. $NdFeO_3$, $ErFeO_3$, and $YbFeO_3$), generating low-energy excitations around 1 meV. In non-Kramers systems, low-energy excitations arise only when the ground state forms an accidental pseudo-doublet, as observed for Ho$^{3+}$ in $HoFeO_3$; such pseudo-doublets exhibit field-induced splitting analogous to Kramers ions. In contrast, true singlet ground states, exemplified by Pr$^{3+}$, show no zero-field splitting. Strong anisotropies are found in both internal- and external-field responses of the CF excitations in these $REFeO_3$. These results provide a unified explanation for the anomalous Zeeman splitting of CF ground states in $REFeO_3$. |
| title | Internal and External Field Effects upon Crystal Field Excitations in REFeO$_3$ (RE = Nd$^{3+}$, Er$^{3+}$, Yb$^{3+}$, Pr$^{3+}$, and Ho$^{3+}$) |
| topic | Strongly Correlated Electrons Other Condensed Matter |
| url | https://arxiv.org/abs/2505.04976 |