A theoretical study of electronic, mechanical and dynamical properties of RuCrP alloy has been performed using the density functional theory based on the plane-wave basis set and pseudopotential method. The structural optimization plot confirms that the ferromagnetic phase is energetically more favorable among the other phases. The stability of the sample alloy was determined by calculating their cohesive energy as well as from the elastic constants. The elastic parameters displayed the mechanically anisotropic and ductile nature of the sample alloy. We also investigated the phonon dispersion curve and found that the phonon frequency modes were positive, indicating the dynamical stability of the compound. The observed optical phonon modes were a mixture of Raman and infrared active. Generalized gradient approximation (GGA) and GGA+U (U = Hubbard parameter) methods were adopted for calculation of actual ground state properties. In both the schemes, the sample material revealed its Half-metallic behavior. Moreover, the charge density plot predicted the covalent character of the sample alloy. As the Curie temperature ($T_C$) of the studied material was found to be higher than room temperature; the material is suitable for spintronic applications.

使用基于平面波基组和赝势法的密度泛函理论，对RuCrP 合金的电子、机械和动力学性能进行了理论研究。结构优化图证实铁磁相在其他相中在能量上更有利。样品合金的稳定性通过计算它们的内聚能以及弹性常数来确定。弹性参数显示了样品合金的机械各向异性和延展性。我们还研究了声子色散曲线，发现声子频率模式为正，表明化合物的动态稳定性。观察到的光学声子模式是拉曼和红外活性的混合物。广义梯度近似 (GGA) 和 GGA+U（U  = Hubbard 参数）方法用于计算实际基态特性。在这两种方案中，样品材料都显示出其半金属行为。此外，电荷密度图预测了样品合金的共价特性。由于居里温度 (${吨}_C$) 研究材料的温度高于室温；该材料适用于自旋电子应用。