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Title: Physical properties and electronic structure of a new barium titanate suboxide Ba 1+δTi 13-δO₁₂ (δ = 0.11)

The structure, transport, thermodynamic properties, x-ray absorption spectra (XAS), and electronic structure of a new barium titanate suboxide, Ba 1+δTi 13-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.
 [1] ;  [1] ; ORCiD logo [2] ; ORCiD logo [3] ;  [1] ; ORCiD logo [3] ;  [2] ;  [1]
  1. Univ. of California Los Angeles, Los Angeles, CA (United States)
  2. Rutgers Univ., Piscataway, NJ (United States)
  3. Univ. of Waterloo, Waterloo (Canada)
Publication Date:
OSTI Identifier:
Grant/Contract Number:
SC0011978; DMREF-1435918
Accepted Manuscript
Journal Name:
APL Materials
Additional Journal Information:
Journal Volume: 3; Journal Issue: 4; Journal ID: ISSN 2166-532X
American Institute of Physics (AIP)
Research Org:
Univ. of California, Los Angeles, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)
Country of Publication:
United States