Unraveling the temperature-responsive charge-disproportionation in BaBiO$_3$
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arXiv
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2026
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| author | Sarkar, Sumit Yadav, Priyanka Chowdhury, Sourav Raghunathan, Rajamani Choudhary, Ram Janay |
| author_facet | Sarkar, Sumit Yadav, Priyanka Chowdhury, Sourav Raghunathan, Rajamani Choudhary, Ram Janay |
| contents | This study shows that the charge disproportionation at the Bi site in BaBiO$_3$ alters as a function of temperature. Decreasing the temperature from 300K down to 160K leads to a significant modification of the density of states corresponding to the Bi-O hybridized band near the Fermi level (E$_\text{F}$). This modification indicates reduction of Bi 6$sp$ - O 2$p$ hybridization and O 2$p$ spectral weight near E$_\text{F}$. The strong decrement of covalency at lower temperatures is accompanied by a decrement in O 2$p$ hole density due to possible charge transfer from Bi 6$s$ to the O 2$p$ band. Bi-charge state analysis from Bi-4$f$ core-level spectra showed that at 300K, $δ$ (charge difference between alternate Bi sites) value in 4$\pmδ$ is much less than at 160K, which reveals the transition towards the ionic nature of CD or static CD in BBO at low temperature. On the other hand, O 1$s$ core-level spectra displayed an asymmetric shape, and temperature-dependent modifications of the asymmetric shape and intensity have been observed. This highlights the significant influence of the O 2$p$ band hole on the dynamical CD at the Bi site. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_19283 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Unraveling the temperature-responsive charge-disproportionation in BaBiO$_3$ Sarkar, Sumit Yadav, Priyanka Chowdhury, Sourav Raghunathan, Rajamani Choudhary, Ram Janay Materials Science This study shows that the charge disproportionation at the Bi site in BaBiO$_3$ alters as a function of temperature. Decreasing the temperature from 300K down to 160K leads to a significant modification of the density of states corresponding to the Bi-O hybridized band near the Fermi level (E$_\text{F}$). This modification indicates reduction of Bi 6$sp$ - O 2$p$ hybridization and O 2$p$ spectral weight near E$_\text{F}$. The strong decrement of covalency at lower temperatures is accompanied by a decrement in O 2$p$ hole density due to possible charge transfer from Bi 6$s$ to the O 2$p$ band. Bi-charge state analysis from Bi-4$f$ core-level spectra showed that at 300K, $δ$ (charge difference between alternate Bi sites) value in 4$\pmδ$ is much less than at 160K, which reveals the transition towards the ionic nature of CD or static CD in BBO at low temperature. On the other hand, O 1$s$ core-level spectra displayed an asymmetric shape, and temperature-dependent modifications of the asymmetric shape and intensity have been observed. This highlights the significant influence of the O 2$p$ band hole on the dynamical CD at the Bi site. |
| title | Unraveling the temperature-responsive charge-disproportionation in BaBiO$_3$ |
| topic | Materials Science |
| url | https://arxiv.org/abs/2602.19283 |