The linear wave augmented plane waves method at full potential using the functional density theory and applying the approximation methods “GGA-PBE, PBE-sol, mBJ and GGA + U” has been used to investigate the electronic, thermoelectric, magnetic and transport properties of Full-Heusler $F{e}_{2}MnSi$. The optimized and the most stable crystal structure at equilibrium is face-centered cubic with space group and lattice parameters a = 5.591 Å. The half metallic character is observed with an indirect band gap. To determine the stability of this material, the elastic parameters have been computed. Moreover, the Seebeck coefficients and the electrical conductivity have been obtained. It is found that the spin polarization (SP) reaches 100% for $F{e}_{2}MnSi$ due to its half metallic state.

使用功能密度理论并应用近似方法“ GGA-PBE，PBE-sol，mBJ和GGA + U”在全电位下使用线性增强平面波方法研究了电子的热，电，磁和输运性质全赫斯勒 $F{Ë}_2\mathrm{中号}ñ\mathrm{小号}\mathrm{一世}$。平衡状态下最优化，最稳定的晶体结构是面心立方，其空间群和晶格参数a = 5.591Å。通过间接带隙观察到半金属特性。为了确定这种材料的稳定性，已经计算了弹性参数。此外，已经获得了塞贝克系数和电导率。发现自旋极化（SP）达到100％$F{Ë}_2\mathrm{中号}ñ\mathrm{小号}\mathrm{一世}$ 由于其半金属状态。