journal article·2015-04-01Open access

Physical properties and electronic structure of a new barium titanate suboxide Ba1+δTi13−δO12 (δ = 0.11)

Costel R. Rotundu, Shan Jiang, Xiaoyu Deng, Yiting Qian, Saeed Khan, David G. Hawthorn, Gabriel Kotliar, Ni Ni

APL Materials· Volume 3· Issue 4

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.
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Research context

OpenAlex topics: Advanced Condensed Matter Physics · Inorganic Chemistry and Materials · Magnetic and transport properties of perovskites and related materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Physics and Astronomy, University of California Los Angeles, Los Angeles, California 90095, USA

CNSI, University of California Los Angeles, Los Angeles, California 90095, USA

Department of Physics, Rutgers University, Piscataway, New Jersey 08854, USA

Department of Physics and Astronomy, University of Waterloo, Waterloo N2L 3G1, Canada

UCLA Molecular Instrumentation Center, University of California Los Angeles, Los Angeles, California 90095, USA

Funding

Department of Energy, Office of Science · National Science Foundation

References (19)

Show source-provided references
1. 10.1063/1.315962210.1063/1.3159622 ↗
2. 10.1023/A:101905610878910.1023/A:1019056108789 ↗
3. 10.1134/1.139242510.1134/1.1392425 ↗
4. 10.1103/PhysRev.130.223010.1103/PhysRev.130.2230 ↗
5. 10.2320/matertrans.44.164410.2320/matertrans.44.1644 ↗
6. 10.1111/j.1151-2916.1974.tb11380.x10.1111/j.1151-2916.1974.tb11380.x ↗
7. 10.1063/1.360743810.1063/1.3607438 ↗
8. 10.1016/j.micron.2010.06.00510.1016/j.micron.2010.06.005 ↗
9. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties (Vienna University of Technology, Austria, 2001).
10. 10.1016/0927-0256(96)00008-010.1016/0927-0256(96)00008-0 ↗
11. 10.1103/PhysRevB.50.1795310.1103/PhysRevB.50.17953 ↗
12. 10.1143/JJAP.29.L179610.1143/JJAP.29.L1796 ↗
13. 10.1107/S0365110X6500304310.1107/S0365110X65003043 ↗
14. 10.1063/1.357799910.1063/1.3577999 ↗
15. 10.1063/1.46391310.1063/1.463913 ↗
16. 10.1103/PhysRev.174.102010.1103/PhysRev.174.1020 ↗
17. L. N. Mulay and E. A. Boudreaux, Theory and Applications of Molecular Diamagnetism (John Wiley&Sons, New York, 1976).
18. 10.1038/nphys56810.1038/nphys568 ↗
19. 10.1103/PhysRevB.2.23510.1103/PhysRevB.2.235 ↗