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Title: Tuning optical properties of transparent conducting barium stannate by dimensional reduction

We report calculations of the electronic structure and optical properties of doped n-type perovskite BaSnO 3 and layered perovskites. While doped BaSnO 3 retains its transparency for energies below the valence to conduction band onset, the doped layered compounds exhibit below band edge optical conductivity due to transitions from the lowest conduction band. This gives absorption in the visible for Ba 2SnO 4. It is important to minimize this phase in transparent conducting oxide (TCO) films. Ba 3Sn 2O 7 and Ba 4Sn 3O 10 have strong transitions only in the red and infrared, respectively. Thus, there may be opportunities for using these as wavelength filtering TCO.
Authors:
 [1] ;  [2] ;  [2] ; ORCiD logo [3]
  1. Jilin Univ., Changchun (China); Beijing Computational Science Research Center, Beijing (China)
  2. Jilin Univ., Changchun (China)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
APL Materials
Additional Journal Information:
Journal Volume: 3; Journal Issue: 1; Journal ID: ISSN 2166-532X
Publisher:
American Institute of Physics (AIP)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; doping; conduction bands; dielectric oxides; lattice constants; band structure
OSTI Identifier:
1185812