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.

中文翻译：

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Orpiment 三硫化二砷在压力下的弹性、机械和声子行为

已发现三硫化二砷 (As2S3) 在高温和高压下是一种极好的玻璃形成剂。然而，雌蕊相的弹性和声子行为仍然存在一些稀缺性。通过使用几何优化计算的 Dreiding 力场，我们研究了 Orpiment As2S3 在 0 到 5 GPa 压力下的弹性常数、机械模量和声子色散。orpiment-As2S3在0GPa下的一些弹性参数结果与实验数据一致。压力下 Orpiment As2S3 的声子色散与先前的计算也是合理的。