Structural, electronic, magnetic and mechanical properties of the Co₂MnGa have been calculated with functional density theory using full potential linear augmented plane wave method as implemented in the Wien2k code. Exchange correlation effects for these properties are treated by generalized gradient approximation while for electronic and magnetic properties, in addition to (WC-GGA) correction, mBJ-GGA scheme was also applied. The stiffness constant of the spin wave and the Curie temperature are calculated. Moreover, mechanical parameters included three elastic constants, compression modulus, Young’s modulus and shear modulus are also investigated. This theoretical study provides detailed information on the compound Co₂MnGa, in different aspects and can also provide information on the application of this material. Obtained data from ab initio calculations are used as input for Monte Carlo simulations to study the magnetic properties and magnetocaloric effect. Transition temperature, magnetic entropy change, adiabatic temperature change and relative cooling power were found.

中文翻译：

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Full-Heusler Co2MnGa的结构、电子、磁性和机械性能及磁热效应

_{Co 2} MnGa的结构、电子、磁性和机械性能已经通过函数密度理论使用全势线性增强平面波方法进行了计算，如在 Wien2k 代码中实现的。这些特性的交换相关效应通过广义梯度近似处理，而对于电子和磁特性，除了（WC-GGA）校正外，还应用了mBJ-GGA方案。计算自旋波的刚度常数和居里温度。此外，还研究了包括三个弹性常数、压缩模量、杨氏模量和剪切模量在内的力学参数。这项理论研究提供了有关化合物 Co _{2的详细信息}MnGa，在不同方面也可以提供这种材料的应用信息。从获取的数据抗体 从头开始计算用作蒙特卡罗模拟的输入，以研究磁性和磁热效应。求出转变温度、磁熵变、绝热温度变化和相对冷却功率。