Density functional theory based computations are used to investigate the pressure effect (0–20 GPa) on mechanical and thermal properties of SnSe₂. It is noted that SnSe₂ obeys mechanical stability criteria in the pressure range of 0–20 GPa. The elastic constant dependence on pressure is greater in out of plane direction as compared to in plane direction. At 20 GPa the out of plane elastic constant increases by 1.86 times as compared to the in plane elastic constants which increase by 55 %. An analysis of values of Poisson’s ratio and ratio of bulk modulus to shear modulus (B/G) indicates that SnSe₂ is brittle and the brittleness decreases with increase in pressure. The hardness increases by 1.33 times at 20 GPa and the Debye temperature is enhanced by 1.24 times as compared to corresponding values of these parameters at 0 GPa. The minimum lattice thermal conductivity exhibits a slight increase with pressure. The material is more isotropic at higher pressure which is revealed from the computed anisotropic factor. Free energy of SnSe₂ increasers with pressure increase. Heat capacity of SnSe₂ first increases with pressure increase and then decreases with further increase in pressure. Entropy of SnSe₂ decreases with pressure increase.

基于密度泛函理论的计算用于研究压力效应 (0–20 GPa) 对 SnSe _{2 的}机械和热性能。值得注意的是，SnSe ₂在 0-20 GPa 的压力范围内遵守机械稳定性标准。与平面方向相比，平面外方向的弹性常数对压力的依赖性更大。在 20 GPa 时，面外弹性常数增加了 1.86 倍，而面内弹性常数增加了 55%。泊松比值和体积模量与剪切模量之比 (B/G) 的分析表明，SnSe ₂是脆性的，脆性随着压力的增加而降低。与这些参数在 0 GPa 时的相应值相比，硬度在 20 GPa 时增加了 1.33 倍，德拜温度提高了 1.24 倍。最小晶格热导率随压力略有增加。从计算出的各向异性因子可以看出，材料在更高的压力下更具各向同性。SnSe ₂增加剂的自由能随压力增加。SnSe _{2 的}热容量首先随着压力的增加而增加，然后随着压力的进一步增加而减少。SnSe _{2 的}熵随着压力的增加而降低。