Mechanical Stability, Elastic, and Lattice Vibrational Properties of GaAs1–xPx under the Effect of Temperature
摘要
The pseudo-potential approach (EPM) in the virtual crystal approximation (VCA) is used to estimate the mechanical and lattice dynamic properties of GaAs1–xPx alloys as a function of temperature. The results show a generally good agreement with the experimental data, which are available only for the binary compounds of interest. These results include the elastic constants, bulk modulus, Young’s modulus, shear modulus, bond bending constant, bond stretching constant, and sound velocity. Our findings show that the investigated alloy achieves mechanical stability at various temperatures. To the best of our knowledge, no previous research of this type has been reported for GaAs1–xPx alloys under temperature effects. According to the results, the alloy under investigation may provide a greater range of possibilities for obtaining the required properties with the right temperature setting, which would make it easier to create new materials with the required properties.