Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations

Author:

Körbel Sabine12345,Marques Miguel A. L.67849,Botti Silvana12349ORCID

Affiliation:

1. Institut für Festkörpertheorie und -optik

2. Friedrich-Schiller-Universität Jena

3. 07743 Jena

4. Germany

5. Institut Lumière Matière

6. Institut für Physik

7. Martin-Luther-Universität Halle-Wittenberg

8. D-06099 Halle

9. European Theoretical Spectroscopy Facility

Abstract

Ab initio high-throughput materials screening of inorganic perovskites yields candidates for applications in photovoltaics, ferroelectrics, magnetoelectrics, and as transparent contacts.

Funder

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Reference57 articles.

1. B. Jaffe , Piezoelectric ceramics, Elsevier, 2012, vol. 3

2. M. E. Lines and A. M.Glass, Principles and applications of ferroelectrics and related materials, Oxford University Press, 1977

3. Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

4. Epitaxial BiFeO 3 Multiferroic Thin Film Heterostructures

5. Temperature dependence of hole conductor free formamidinium lead iodide perovskite based solar cells

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