Physical properties and electronic structure of a new barium titanate suboxide Ba1+δTi13-δO₁₂ (δ = 0.11)
Abstract
The structure, transport, thermodynamic properties, x-ray absorption spectra (XAS), and electronic structure of a new barium titanate suboxide, Ba1+δTi13-δO₁₂ (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 Ti²⁺ 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 Ti₁₃ semi-cluster and the TiO₄ quasi-squares, respectively.
- Authors:
-
- Univ. of California Los Angeles, Los Angeles, CA (United States)
- Rutgers Univ., Piscataway, NJ (United States)
- Univ. of Waterloo, Waterloo (Canada)
- Publication Date:
- Research Org.:
- Univ. of California, Los Angeles, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
- OSTI Identifier:
- 1184844
- Grant/Contract Number:
- SC0011978; DMREF-1435918
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- APL Materials
- Additional Journal Information:
- Journal Volume: 3; Journal Issue: 4; Journal ID: ISSN 2166-532X
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Rotundu, Costel R., Jiang, Shan, Deng, Xiaoyu, Qian, Yiting, Khan, Saeed, Hawthorn, David G., Kotliar, Gabriel, and Ni, Ni. Physical properties and electronic structure of a new barium titanate suboxide Ba1+δTi13-δO₁₂ (δ = 0.11). United States: N. p., 2015.
Web. doi:10.1063/1.4916991.
Rotundu, Costel R., Jiang, Shan, Deng, Xiaoyu, Qian, Yiting, Khan, Saeed, Hawthorn, David G., Kotliar, Gabriel, & Ni, Ni. Physical properties and electronic structure of a new barium titanate suboxide Ba1+δTi13-δO₁₂ (δ = 0.11). United States. https://doi.org/10.1063/1.4916991
Rotundu, Costel R., Jiang, Shan, Deng, Xiaoyu, Qian, Yiting, Khan, Saeed, Hawthorn, David G., Kotliar, Gabriel, and Ni, Ni. 2015.
"Physical properties and electronic structure of a new barium titanate suboxide Ba1+δTi13-δO₁₂ (δ = 0.11)". United States. https://doi.org/10.1063/1.4916991. https://www.osti.gov/servlets/purl/1184844.
@article{osti_1184844,
title = {Physical properties and electronic structure of a new barium titanate suboxide Ba1+δTi13-δO₁₂ (δ = 0.11)},
author = {Rotundu, Costel R. and Jiang, Shan and Deng, Xiaoyu and Qian, Yiting and Khan, Saeed and Hawthorn, David G. and Kotliar, Gabriel and Ni, Ni},
abstractNote = {The structure, transport, thermodynamic properties, x-ray absorption spectra (XAS), and electronic structure of a new barium titanate suboxide, Ba1+δTi13-δO₁₂ (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 Ti²⁺ 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 Ti₁₃ semi-cluster and the TiO₄ quasi-squares, respectively.},
doi = {10.1063/1.4916991},
url = {https://www.osti.gov/biblio/1184844},
journal = {APL Materials},
issn = {2166-532X},
number = 4,
volume = 3,
place = {United States},
year = {Wed Apr 01 00:00:00 EDT 2015},
month = {Wed Apr 01 00:00:00 EDT 2015}
}
Web of Science
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