Computational acceleration of prospective dopant discovery in cuprous iodide-Reference-Cited by-同舟云学术

Computational acceleration of prospective dopant discovery in cuprous iodide

Published:2019 Issue:35 Volume:21 Page:18839-18849
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Graužinytė Miglė¹²³⁴^ORCID,Botti Silvana⁵⁶⁷⁸^ORCID,Marques Miguel A. L.⁹¹⁰¹¹⁸^ORCID,Goedecker Stefan¹²³⁴,Flores-Livas José A.¹²³⁴¹²^ORCID

Affiliation:

1. Department of Physics

2. Universität Basel

3. 4056 Basel

4. Switzerland

5. Institut für Festkörpertheorie und -optik

6. Friedrich-Schiller-Universität Jena

7. 07743 Jena

8. Germany

9. Institut für Physik

10. Martin-Luther-Universität Halle-Wittenberg

11. D-06099 Halle

12. Dipartimento di Fisica

Abstract

In order to enhance the conductivity in γ-CuI – an intrinsic transparent p-type semiconductor – 64 elements are investigated as substitutional dopants. Novel impurities are suggested for both p-type and n-type doping.

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP02711D

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