Pressure-induced novel nitrogen-rich aluminum nitrides: AlN6, Al2N7 and AlN7 with polymeric nitrogen chains and rings-Reference-Cited by-同舟云学术

Pressure-induced novel nitrogen-rich aluminum nitrides: AlN6, Al2N7 and AlN7 with polymeric nitrogen chains and rings

Published:2021 Issue: Volume: Page:
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Du Huifang¹²³⁴⁵,Ge Yanfeng⁶⁷⁸⁹⁵,Zhu Jinlong¹⁰¹¹¹²⁵,Guo Wei¹²³⁴⁵^ORCID,Yao Yugui¹²³⁴⁵

Affiliation:

1. Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement (MOE)

2. School of Physics

3. Beijing Institute of Technology

4. Beijing 100081

5. China

6. State Key Laboratory of Metastable Materials Science and Technology & Key Laboratory for Microstructural Material Physics of Hebei Province

7. School of Science

8. Yanshan University

9. Qinhuangdao

10. Department of Physics

11. Southern University of Science and Technology (SUSTech)

12. Shenzhen 518055

Abstract

DFT calculations and the structural search method based on the particle swarm optimization (PSO) algorithm under pressure have been used to predict novel nitrogen-rich aluminum nitrides with polymeric nitrogen chains and rings.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

National Key Research and Development Program of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP01027A

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