Elastic, Mechanical, and Phonon Behavior of Orpiment Arsenic Trisulfide under Pressure
| Autor: | Chuanhui Zhang, Peng Shi, Liwu Jiang, Meiling Wu |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Materials science
Article Subject Phonon TJ807-830 Thermodynamics 02 engineering and technology Orpiment Energy minimization 01 natural sciences Renewable energy sources Condensed Matter::Materials Science chemistry.chemical_compound Condensed Matter::Superconductivity 0103 physical sciences General Materials Science 010302 applied physics Renewable Energy Sustainability and the Environment General Chemistry 021001 nanoscience & nanotechnology Atomic and Molecular Physics and Optics Temperature and pressure chemistry visual_art Arsenic trisulfide visual_art.visual_art_medium Condensed Matter::Strongly Correlated Electrons 0210 nano-technology Dispersion (chemistry) |
| Zdroj: | International Journal of Photoenergy, Vol 2020 (2020) |
| ISSN: | 1687-529X 1110-662X |
| DOI: | 10.1155/2020/8852665 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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