Pressure effect on lattice parameters, elastic moduli, Poisson's ratio, Cauchy pressure, elastic anisotropy, and Vickers hardness of orthorhombic MgSiN₂ by means of first-principles calculations based on density functional theory (DFT) by generalized gradient approximation (GGA) in the functional form by Perdew, Bruke, and Ernzerhof (PBE) of the exchange-correlation were presented. The structural properties, elastic moduli, B₀/G, Poisson's ratio (ν) and Cauchy pressure under pressure up to 10 GPa were calculated. The optimized structural and ground state properties under ambient pressure were in agreement with the available experiments and other calculations. The orthorhombic MgSiN₂ was mechanically stable under pressure up to 10 GPa by the elastic stability criteria investigation. Under pressure, the relationship of elasticity in length was C₃₃ > C₁₁ > C₂₂, indicating that it is easier to compress along the b-axis than along the a-axis and c-axis, respectively. The calculated bulk modulus, shear modulus, Young's modulus and Poison's ratio index all increased with an increase in the pressure. The B₀/G, Poisson's ratio (ν) and Cauchy pressure analyses implied that orthorhombic MgSiN₂ was single crystal, and a critical pressure for brittle-to-ductile transition was found to be 2 GPa. The Cauchy pressure of {100} plane, {010} plane and {001} plane, Vickers hardness (H_v) and the shear anisotropy as a function of pressure were investigated from the calculation.

压力对正交 MgSiN ₂的晶格参数、弹性模量、泊松比、柯西压力、弹性各向异性和维氏硬度的影响，通过基于密度泛函理论 (DFT) 的第一性原理计算，在泛函中采用广义梯度近似 (GGA) Perdew、Bruke 和 Ernzerhof (PBE) 提出了交换相关性的形式。计算了结构特性、弹性模量、B ₀ /G、泊松比 ( ν ) 和高达 10 GPa 压力下的柯西压力。在环境压力下优化的结构和基态特性与可用的实验和其他计算一致。正交晶系MgSiN ₂通过弹性稳定性标准研究，在高达 10 GPa 的压力下机械稳定。在压力下，长度弹性的关系为C ₃₃  >  C ₁₁  >  C ₂₂，表明分别沿b轴比沿a轴和c轴更容易压缩。计算的体积模量、剪切模量、杨氏模量和泊松比指数都随着压力的增加而增加。所述乙₀ / G，泊松比（ν）和柯西压力分析暗示，斜方晶MgSiN ₂是单晶，发现脆韧转变的临界压力为 2 GPa。通过计算研究了{100}面、{010}面和{001}面的柯西压力、维氏硬度( H _v )和作为压力函数的剪切各向异性。