A2AgCrCl6 (A = Li, Na, K, Rb, Cs) halide double perovskites: a transition metal-based semiconducting material series with appreciable optical characteristics-Reference-Cited by-同舟云学术

A2AgCrCl6 (A = Li, Na, K, Rb, Cs) halide double perovskites: a transition metal-based semiconducting material series with appreciable optical characteristics

Published:2020 Issue:42 Volume:22 Page:24337-24350
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Varadwaj Pradeep R.¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemical System Engineering

2. School of Engineering

3. The University of Tokyo 7-3-1

4. Tokyo 113-8656

5. Japan

Abstract

The theoretical examination of the geometric, energetic, phonon and optoelectronic properties of cubic and hexagonal A₂AgCrCl₆ (A = Cs, Rb, K, Na, Li) using meta-GGA SCAN-rVV10 has led us to identify cubic Cs₂AgCrCl₆ and Rb₂AgCrCl₆ as two dynamically stable double perovskites, with impressive optical features.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01896A

Reference95 articles.

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3. Layered Halide Double Perovskites: Dimensional Reduction of Cs2AgBiBr6

4. Small‐Band‐Gap Halide Double Perovskites

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