Defect formation and carrier compensation in layered oxychalcogenide La2CdO2Se2: an insight from first principles-Reference-Cited by-同舟云学术

Defect formation and carrier compensation in layered oxychalcogenide La₂CdO₂Se₂: an insight from first principles

Published:2022 Issue:44 Volume:10 Page:16828-16837
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Gake Tomoya¹^ORCID,Kumagai Yu¹,Takahashi Akira¹^ORCID,Hiramatsu Hidenori¹,Oba Fumiyasu¹^ORCID

Affiliation:

1. Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology, Yokohama, 226-8503, Japan

Abstract

Theoretical calculations explain that the experimentally reported nearly stoichiometric and electrical insulating behavior of undoped La2CdO2Se2 is due to the formation of Cd vacancies and interstitials.

Funder

Japan Society for the Promotion of Science

Core Research for Evolutional Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/TC/D2TC03836F

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