Published April 1, 2015 | Version v1
Journal article Metadata-only

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

Creators

  • 1. CNSI, University of California Los Angeles, Los Angeles, California 90095 (United States)
  • 2. Department of Physics and Astronomy, University of California Los Angeles, Los Angeles, California 90095 (United States)
  • 3. Department of Physics, Rutgers University, Piscataway, New Jersey 08854 (United States)
  • 4. Department of Physics and Astronomy, University of Waterloo, Waterloo N2L 3G1 (Canada)
  • 5. UCLA Molecular Instrumentation Center, University of California Los Angeles, Los Angeles, California 90095 (United States)

Description

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

Additional details

Identifiers

DOI
10.1063/1.4916991;

Publishing Information

Journal Title
APL materials
Journal Volume
3
Journal Issue
4
Journal Page Range
p. 041517-041517.8
ISSN
2166-532X
CODEN
AMPADS

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
46121171
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
ABSORPTION SPECTROSCOPY; BARIUM OXIDES; ELECTRONIC STRUCTURE; ENERGY GAP; FERMI GAS; HOLES; PARAMAGNETISM; THERMODYNAMIC PROPERTIES; TITANATES; TITANIUM IONS; TITANIUM OXIDES; X-RAY SPECTRA; X-RAY SPECTROSCOPY
Descriptors DEC
ALKALINE EARTH METAL COMPOUNDS; BARIUM COMPOUNDS; CHALCOGENIDES; CHARGED PARTICLES; IONS; MAGNETISM; OXIDES; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; SPECTRA; SPECTROSCOPY; TITANIUM COMPOUNDS; TRANSITION ELEMENT COMPOUNDS

Optional Information

Notes
(c) 2015 Author(s)