First-principles calculations of electronic structure and optical and elastic properties of the novel ABX3-type LaWN3 perovskite structure-Reference-Cited by-同舟云学术

First-principles calculations of electronic structure and optical and elastic properties of the novel ABX3-type LaWN3 perovskite structure

Published:2020 Issue:29 Volume:10 Page:17317-17326
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Liu Xing¹²³⁴⁵,Fu Jia¹²³⁴⁵^ORCID,Chen Guangming⁶⁷⁸⁹⁵^ORCID

Affiliation:

1. Shaanxi Key Laboratory of Material Processing Engineering

2. School of Material Science and Engineering

3. Xi'an Shiyou University

4. Xi'an

5. China

6. Shenzhen Key Laboratory of Polymer Science and Technology

7. College of Materials Science and Engineering

8. Shenzhen University

9. Shenzhen

Abstract

Using first-principles calculation, the stable R3c LaWN₃ as a new ABX₃-type advanced perovskite structure is designed in the plan of the material genome initiative (MGI), which helps to widen the nowadays nitride perovskite material's application.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shaanxi Province

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/C9RA10735E

Reference71 articles.

1. Perovskites in catalysis and electrocatalysis

2. Development of Mn-based perovskite materials: Chemical structure and applications