The focal point of this article is to pay attention on the half metallic ferromagnetism, structural, elastic, thermal, electronic and magnetic properties of Co₂YGe (YMn, Fe) Heusler compounds with Fm-3m crystal structure involving the density functional theory within the framework of full potential linearized augmented plane wave method as integrated in the Wien2k package. The structural optimizations plots confirm that both alloys are in the lower energy state in ferromagnetic order. Moreover the structural parameters are consistent with experiment. The computed elastic properties show the ductile nature of these alloys. Based on the thermal properties of these alloys, Co₂MnGe is more favorable for the fabrication of elevated temperature acoustical devices as compared to Co₂FeGe. For the calculation of electronic and magnetic properties of Co₂YGe (YMn, Fe) alloys in addition to GGA functional, the GGA + U (U= Hubbard parameters) were also adopted. Both alloys are HMF in nature. It is also observed that the values of the compound's magnetic-moments fit excellent with Slater Pauling law. Furthermore we have calculated the formation energy and Curie temperature of these alloys. The negative values of the formation energy of both compounds represent their thermodynamic stability and strong bonding. Higher values of thermal parameters, half metallic nature and ferromagnetism of Co₂YGe (YMn, Fe) predict the importance of these compounds in acoustical and spintronic devices respectively.

本文的重点是关注具有Fm-3m晶体结构的Co ₂ YGe（Y Mn，Fe）Heusler化合物的半金属铁磁性，结构，弹性，热，电子和磁性，涉及内部的密度泛函理论。 Wien2k软件包中集成的全电位线性化增强平面波方法的框架。结构优化图证实，两种合金均处于铁磁顺序的较低能态。而且结构参数与实验吻合。计算出的弹性性能表明了这些合金的延性。基于这些合金的热性质，Co ₂与Co ₂ FeGe相比，MnGe更有利于制造高温声学装置。除了GGA功能以外，还为了计算Co ₂ YGe（Y Mn，Fe）合金的电子和磁性，还采用了GGA + U（U = Hubbard参数）。两种合金本质上都是HMF。还可以观察到，该化合物的磁矩值非常符合Slater Pauling定律。此外，我们已经计算了这些合金的形成能和居里温度。两种化合物的形成能的负值表示它们的热力学稳定性和牢固的结合力。Co ₂ YGe（YMn，Fe）分别预测这些化合物在声学和自旋电子器件中的重要性。