The mechanical, thermodynamic, electronic, and optical properties of Na₂MoO₄ (NMO) and Na₂WO₄ (NWO) spinels are elaborated by density functional theory (DFT) based full potential augmented plane wave method (FP-LAPW + lo). Our optimized lattice constants for the studied spinels are in good agreement with that obtained experimentally. The enthalpy of formation ensures the thermodynamic stability of NMO and NWO in the cubic phase. The Born mechanical stability criteria guarantees their mechanical stability, while Poisson ratio (ν) and Pugh's ratio (B/G) infer their brittle behavior. The Debye temperature (θ_D) is significant for NMO than NWO. The wide bandgap of 3.5 eV for NMO and 4.4 eV for NWO show the maximum absorption in the ultraviolet region that increases their importance for optoelectronic applications. The optical properties are explained in term of dielectric constant, refractive index, absorption of light, reflection, and optical loss factor.

Na ₂ MoO ₄（NMO）和Na ₂ WO ₄（NWO）尖晶石的机械，热力学，电子和光学性质通过基于密度泛函理论（DFT）的全势增强平面波方法（FP-LAPW + lo）进行了详细阐述。我们针对所研究的尖晶石优化的晶格常数与实验获得的相符。形成焓确保立方相中NMO和NWO的热力学稳定性。Born机械稳定性标准可确保其机械稳定性，而泊松比（ν）和普格比（B / G）可推断其脆性。德拜温度（θ _d）对NMO而言比NWO重要。NMO的宽带隙为3.5 eV，NWO的宽带隙为4.4 eV，显示出在紫外线区域的最大吸收，这增加了它们在光电应用中的重要性。用介电常数，折射率，光吸收，反射和光学损耗因子来解释光学性质。