Physical properties and electronic structure of a new barium titanate suboxide Ba{sub 1+δ}Ti{sub 13−δ}O{sub 12} (δ = 0.11)
The structure, transport, thermodynamic properties, x-ray absorption spectra (XAS), and electronic structure of a new barium titanate suboxide, Ba{sub 1+δ}Ti{sub 13−δ}O{sub 12} (δ = 0.11), are reported. It is a paramagnetic poor metal with hole carriers dominating the transport. Fermi liquid behavio...
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| Veröffentlicht in: | APL materials 2015-04, Vol.3 (4) |
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| creator | Rotundu, Costel R. Jiang, Shan Ni, Ni CNSI, University of California Los Angeles, Los Angeles, California 90095 Deng, Xiaoyu Kotliar, Gabriel Qian, Yiting Hawthorn, David G. Khan, Saeed |
| description | The structure, transport, thermodynamic properties, x-ray absorption spectra (XAS), and electronic structure of a new barium titanate suboxide, Ba{sub 1+δ}Ti{sub 13−δ}O{sub 12} (δ = 0.11), are reported. It is a paramagnetic poor metal with hole carriers dominating the transport. Fermi liquid behavior appears at low temperature. The oxidization state of Ti obtained by the XAS is consistent with the metallic Ti{sup 2+} state. Local density approximation band structure calculations reveal the material is near the Van Hove singularity. The pseudogap behavior in the Ti-d band and the strong hybridization between the Ti-d and O-p orbitals reflect the characteristics of the building blocks of the Ti{sub 13} semi-cluster and the TiO{sub 4} quasi-squares, respectively. |
| doi_str_mv | 10.1063/1.4916991 |
| format | Article |
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It is a paramagnetic poor metal with hole carriers dominating the transport. Fermi liquid behavior appears at low temperature. The oxidization state of Ti obtained by the XAS is consistent with the metallic Ti{sup 2+} state. Local density approximation band structure calculations reveal the material is near the Van Hove singularity. 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| ispartof | APL materials, 2015-04, Vol.3 (4) |
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| source | DOAJ Directory of Open Access Journals; Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals |
| subjects | ABSORPTION SPECTROSCOPY BARIUM OXIDES ELECTRONIC STRUCTURE ENERGY GAP FERMI GAS HOLES MATERIALS SCIENCE PARAMAGNETISM THERMODYNAMIC PROPERTIES TITANATES TITANIUM IONS TITANIUM OXIDES X-RAY SPECTRA X-RAY SPECTROSCOPY |
| title | Physical properties and electronic structure of a new barium titanate suboxide Ba{sub 1+δ}Ti{sub 13−δ}O{sub 12} (δ = 0.11) |
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