research_data_may_toumiat

The data obtained in this work includes the structural and electronic properties of Cd and Zn metal monochalcogenides (MMCs) in their wurtzite structure. The lattice parameters, bandgap, band structure, and density of states were calculated using the full potential linearized augmented plane wave method (FP-LAPW) in combination with the gga_x_gam-mpw1k functional.

本研究获取的数据涵盖镉（Cd）与锌（Zn）基金属单硫族化合物（metal monochalcogenides, MMCs）纤锌矿结构下的结构与电子性质。本研究采用全势线性缀加平面波方法（full potential linearized augmented plane wave method, FP-LAPW）结合gga_x_gam-mpw1k 泛函，对其晶格参数、带隙、能带结构及态密度进行了计算。