Many studies nowadays are available to predict the half-metallic behaviour of Heusler’s quaternary compounds. Using the first principle study of the quaternary Heusler CoZrFeP, we examined its structural, electronic and magnetic properties with the full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) and the generalized modified potential plus Becke-Johnson approximation (GGA-mBJ). Our quaternary Heusler CoZrFeP compound has shown a half-metallic ferromagnetism character with a small band gap in the minority spin which makes it an excellent candidate for the development of new devices in spintronic and magnetoelectronic. In order to know whether our Heusler quaternary CoZrFeP compound can be experimentally synthesized, we studied its mechanical stability by calculating its formation energy, cohesion energy and elastic constants.

如今，有许多研究可以预测霍斯勒四元化合物的半金属行为。使用四元Heusler CoZrFeP的第一个原理研究，我们在广义梯度逼近（GGA）和广义修正势加Becke范围内，使用全势线性化增强平面波（FP-LAPW）方法检查了其结构，电子和磁性-约翰逊近似（GGA-mBJ）。我们的四元Heusler CoZrFeP化合物显示了半金属铁磁性，少数自旋中带隙较小，这使其成为自旋电子学和磁电子学新器件开发的极佳候选者。为了知道我们的Heusler四元CoZrFeP化合物是否可以通过实验合成，