First-principles calculations to investigate band gap of cubic BaThO3 with systematic isotropic external static pressure and its impact on structural, elastic, mechanical, anisotropic, electronic and optical properties-Reference-Cited by-同舟云学术

First-principles calculations to investigate band gap of cubic BaThO3 with systematic isotropic external static pressure and its impact on structural, elastic, mechanical, anisotropic, electronic and optical properties

Published:2022-10 Issue: Volume:169 Page:110878
ISSN:0022-3697
Container-title:Journal of Physics and Chemistry of Solids
language:en
Short-container-title:Journal of Physics and Chemistry of Solids

Author:

Awais M.^ORCID,Zeba I.,Gillani S.S.A.^ORCID,Shakil M.,Rizwan Muhammad^ORCID

Funder

Higher Education Commission, Pakistan

Publisher

Elsevier BV

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Reference73 articles.

1. Perovskite Oxide for Solid Oxide Fuel Cells,2009

2. Coexistence of ferroelectricity and ferromagnetism in BiFeO3–BaTiO3 thin films at room temperature;Ueda;Appl. Phys. Lett.,1999

3. Piezoelectric properties of c-axis oriented Pb (Zr, Ti)O3 thin films;Kanno;Appl. Phys. Lett.,1997

4. High total proton conductivity in large-grained yttrium-doped barium zirconate;Yamazaki;Chem. Mater.,2009

5. Mixed ionic-electronic conductivity of La1− xSrxCo1− yFeyO3− δ perovskite-type oxides;Teraoka;Mater. Res. Bull.,1988

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