Yb 4f-Ta 5d Hybridization and Valence Evolution in Tetragonal Tungsten Bronze Ba(3-x)YbxTa5O15
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arXiv
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| Autores principales: | , , , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| _version_ | 1866909996329992192 |
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| author | Takegami, Daisuke Takei, Haruki Yoshimura, Masato Katsufuji, Takuro Mizokawa, Takashi |
| author_facet | Takegami, Daisuke Takei, Haruki Yoshimura, Masato Katsufuji, Takuro Mizokawa, Takashi |
| contents | Here we investigate the electronic structure of the tetragonal tungsten bronze Ba$_{3-x}$Yb$_x$Ta$_{5}$O$_{15}$ by making use of hard x-ray photoemission spectroscopy. The core level spectroscopy shows that the substitution with Yb ions in the series first occurs on the compact S1 site. For $x\leq1$, Yb is found to be dominantly Yb$^{2+}$ with a small mixing of Yb$^{3+}$, while for $x>1$, a significant increase of Yb$^{3+}$ is found, suggesting not only that site S2 favours Yb$^{3+}$, but also that their presence affects also the valency of the ions in site S1. The valence band spectra shows a relatively deep Yb$^{2+}$ doublet, but at the same time indications of a Ta~$5d$-Yb~$4f$ interaction are found, suggesting the presence of Yb~$4f$ carriers at the Fermi level through this hybridization. Our results thus point towards an exotic form of $d$-$f$ electronic interplay that together with the structural degrees of freedom can result in the unusual trends observed in the physical properties of Ba$_{3-x}$Yb$_x$Ta$_{5}$O$_{15}$. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_17234 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Yb 4f-Ta 5d Hybridization and Valence Evolution in Tetragonal Tungsten Bronze Ba(3-x)YbxTa5O15 Takegami, Daisuke Takei, Haruki Yoshimura, Masato Katsufuji, Takuro Mizokawa, Takashi Materials Science Here we investigate the electronic structure of the tetragonal tungsten bronze Ba$_{3-x}$Yb$_x$Ta$_{5}$O$_{15}$ by making use of hard x-ray photoemission spectroscopy. The core level spectroscopy shows that the substitution with Yb ions in the series first occurs on the compact S1 site. For $x\leq1$, Yb is found to be dominantly Yb$^{2+}$ with a small mixing of Yb$^{3+}$, while for $x>1$, a significant increase of Yb$^{3+}$ is found, suggesting not only that site S2 favours Yb$^{3+}$, but also that their presence affects also the valency of the ions in site S1. The valence band spectra shows a relatively deep Yb$^{2+}$ doublet, but at the same time indications of a Ta~$5d$-Yb~$4f$ interaction are found, suggesting the presence of Yb~$4f$ carriers at the Fermi level through this hybridization. Our results thus point towards an exotic form of $d$-$f$ electronic interplay that together with the structural degrees of freedom can result in the unusual trends observed in the physical properties of Ba$_{3-x}$Yb$_x$Ta$_{5}$O$_{15}$. |
| title | Yb 4f-Ta 5d Hybridization and Valence Evolution in Tetragonal Tungsten Bronze Ba(3-x)YbxTa5O15 |
| topic | Materials Science |
| url | https://arxiv.org/abs/2512.17234 |