Elastic, Mechanical, and Phonon Behavior of Orpiment Arsenic Trisulfide under Pressure-Reference-Cited by-同舟云学术

Elastic, Mechanical, and Phonon Behavior of Orpiment Arsenic Trisulfide under Pressure

Published:2020-09-19 Issue: Volume:2020 Page:1-6
ISSN:1110-662X
Container-title:International Journal of Photoenergy
language:en
Short-container-title:International Journal of Photoenergy

Author:

Jiang Liwu¹²^ORCID,Wu Meiling³^ORCID,Shi Peng¹^ORCID,Zhang Chuanhui¹^ORCID

Affiliation:

1. National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083, China

2. NCS Testing Technology Co. Ltd., Beijing 100081, China

3. Beijing Institute of Aeronautical Materials, Beijing 100095, China

Abstract

Arsenic trisulfide (As2S3) has been found to be an excellent glass former at high temperature and pressure. However, there is still some scarcity for the elastic and phonon behavior of the orpiment phase. By using the Dreiding force field of the geometry optimization computations, we investigated the elastic constants, mechanical moduli, and the phonon dispersion of orpiment As2S3 under the pressure from 0 to 5 GPa. Some results of the elastic parameters of orpiment-As2S3 at 0 GPa are consistent with the experimental data. The phonon dispersions for orpiment As2S3 under pressure are also reasonable with previous calculations.

Funder

National Natural Science Foundation of China

Publisher

Hindawi Limited

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,Atomic and Molecular Physics, and Optics,General Chemistry

Link

http://downloads.hindawi.com/journals/ijp/2020/8852665.pdf

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