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Related Experiment Video

Updated: May 7, 2026

Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance
11:38

Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance

Published on: February 27, 2017

Perovskite transparent conducting oxides: an ab initio study.

S Dabaghmanesh1, R Saniz, M N Amini

  • 1CMT & EMAT, Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen, Belgium.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|September 25, 2013
PubMed
Summary

Lanthanum and Yttrium impurities act as shallow donors in BaSnO3 and SrGeO3, with low formation energies. Oxygen vacancies also contribute as shallow donors, but their higher formation energies limit conductivity contributions.

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Area of Science:

  • Materials Science
  • Solid State Physics
  • Computational Chemistry

Background:

  • Barium stannate (BaSnO3) and Strontium germanate (SrGeO3) are promising transparent conducting oxides (TCOs).
  • Understanding point defects is crucial for optimizing their electronic properties.

Purpose of the Study:

  • Investigate the electronic structure and formation energies of point defects in BaSnO3 and SrGeO3.
  • Determine the role of impurities (La, Y) and oxygen vacancies in defect formation and conductivity.

Main Methods:

  • Ab initio electronic structure calculations.
  • Density Functional Theory (DFT) based simulations.

Main Results:

  • Lanthanum (La) and Yttrium (Y) impurities act as shallow donors with a preferred 1+ charge state and low formation energy.

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Last Updated: May 7, 2026

Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance
11:38

Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance

Published on: February 27, 2017

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  • Oxygen vacancies are also shallow donors (2+ charge state) but have higher formation energies.
  • Calculated electron effective mass in BaSnO3 is 0.21 m(e), suggesting low scattering rates.
  • SrGeO3 results align with experimental data for polycrystalline TCOs.

    • Conclusions:

    • La and Y impurities are effective shallow donors for BaSnO3 and SrGeO3.
    • Oxygen vacancies have a limited impact on conductivity due to higher formation energies.
    • BaSnO3 shows potential for high electron mobility, while SrGeO3 exhibits typical TCO characteristics.