Geometric structures and electronic properties of the Bi2X2Y (X, Y = O, S, Se, and Te) ternary compound family: a systematic DFT study-Reference-Cited by-同舟云学术

Geometric structures and electronic properties of the Bi2X2Y (X, Y = O, S, Se, and Te) ternary compound family: a systematic DFT study

Published:2018 Issue:48 Volume:6 Page:13241-13249
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Ma Xiaoyu¹²³,Chang Dahu⁴⁵³,Zhao Chunxiang⁶⁷³,Li Rui¹²³,Huang Xiaoyu⁶⁷³⁸³,Zeng Zaiping¹²³,Huang Xiaowei¹²³,Jia Yu¹²³⁶⁷^ORCID

Affiliation:

1. Key Laboratory for Special Functional Materials of Ministry of Education, Collaborative Innovation Center of Nano Functional Materials and Applications, and School of Materials Science and Engineering, Henan University

2. Kaifeng

3. China

4. Department of Mathematics and Physics, Luoyang Institute of Science and Technology

5. Luoyang

6. International Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University

7. Zhengzhou

8. School of Physics and Electronics, Nanyang Normal University, Nanyan

Abstract

The geometric structure and electronic properties of Bi₂X₂Y (X, Y = O, S, Se, and Te) ternary compound have been studied by means of first-principles density functional theory.

Funder

National Natural Science Foundation of China

Henan University

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/TC/C8TC04587A

Reference49 articles.

1. On the Structure of Bismuthsesquioxide: The ?, ?, ?, and ?-phase

2. Phase Relations in Bismuthsesquioxide