Spin-orbital order and excitations in $3d^4$, $4d^4$, and $5d^4$ systems: Application to $\rm BaFeO_3$, $\rm Sr_2RuO_4$, $\rm Sr_2YIrO_6$, and $\rm K_2OsCl_64$
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arXiv
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| Autori principali: | , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| _version_ | 1866909596791078912 |
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| author | Ahmad, Shahid Parmar, Harshvardhan Mohapatra, Shubhajyoti Singh, Avinash |
| author_facet | Ahmad, Shahid Parmar, Harshvardhan Mohapatra, Shubhajyoti Singh, Avinash |
| contents | Evolution of composite spin-orbital order and coupled spin-orbital excitations is studied in a variety of $d^4$ systems with $n$=$4$ electrons in the $t_{2g}$ orbital sector using the generalised self-consistent + fluctuations approach for a realistic interacting-electron model. Within this unified approach, applications are discussed to compounds with $3d$, $4d$, $5d$ transition-metal ions such as $\rm BaFeO_3$ ($\rm Fe^{4+}$), $\rm Ca_2RuO_4$ ($\rm Ru^{4+}$), $\rm Sr_2RuO_4$ ($\rm Ru^{4+}$), $\rm Sr_2YIrO_6$ ($\rm Ir^{5+}$), and $\rm K_2OsCl_6$ ($\rm Os^{4+}$). Continuous interpolation from the nominally $S=1$ antiferromagnetic order in $\rm Ca_2RuO_4$ (strong crystal field, intermediate spin-orbit coupling (SOC) and Coulomb interaction) to the $J=0$ state relevant for $5d^4$ compounds (strong SOC, weak Coulomb interaction) and to the half-metallic ferromagnetic order when crystal field is negligible as in $\rm BaFeO_3$ (weak SOC, strong Coulomb interaction) and $\rm Sr_2RuO_4$ (intermediate SOC and Coulomb interaction) provides new fundamental insights into the magnetism of spin-orbit coupled systems. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2504_20476 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Spin-orbital order and excitations in $3d^4$, $4d^4$, and $5d^4$ systems: Application to $\rm BaFeO_3$, $\rm Sr_2RuO_4$, $\rm Sr_2YIrO_6$, and $\rm K_2OsCl_64$ Ahmad, Shahid Parmar, Harshvardhan Mohapatra, Shubhajyoti Singh, Avinash Strongly Correlated Electrons Evolution of composite spin-orbital order and coupled spin-orbital excitations is studied in a variety of $d^4$ systems with $n$=$4$ electrons in the $t_{2g}$ orbital sector using the generalised self-consistent + fluctuations approach for a realistic interacting-electron model. Within this unified approach, applications are discussed to compounds with $3d$, $4d$, $5d$ transition-metal ions such as $\rm BaFeO_3$ ($\rm Fe^{4+}$), $\rm Ca_2RuO_4$ ($\rm Ru^{4+}$), $\rm Sr_2RuO_4$ ($\rm Ru^{4+}$), $\rm Sr_2YIrO_6$ ($\rm Ir^{5+}$), and $\rm K_2OsCl_6$ ($\rm Os^{4+}$). Continuous interpolation from the nominally $S=1$ antiferromagnetic order in $\rm Ca_2RuO_4$ (strong crystal field, intermediate spin-orbit coupling (SOC) and Coulomb interaction) to the $J=0$ state relevant for $5d^4$ compounds (strong SOC, weak Coulomb interaction) and to the half-metallic ferromagnetic order when crystal field is negligible as in $\rm BaFeO_3$ (weak SOC, strong Coulomb interaction) and $\rm Sr_2RuO_4$ (intermediate SOC and Coulomb interaction) provides new fundamental insights into the magnetism of spin-orbit coupled systems. |
| title | Spin-orbital order and excitations in $3d^4$, $4d^4$, and $5d^4$ systems: Application to $\rm BaFeO_3$, $\rm Sr_2RuO_4$, $\rm Sr_2YIrO_6$, and $\rm K_2OsCl_64$ |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2504.20476 |