Ab initio predictions for strontium chalcogenides such as SrS, SrSe, and SrTe doped with magnetic titanium (Ti) element as the Sr_1 − xTi_xX (X = S, Se, and Te) diluted magnetic semiconductor (DMS) compounds in rock-salt ferromagnetic structure have been studied at concentration x = 0.25, by using the full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method within the framework of spin-polarized density functional theory (SP-DFT). It has been verified that the ferromagnetic (FM) state of the investigated systems is the most stable phase. The estimated structural parameters of strontium chalcogenides are in good agreement with other available theoretical and experimental values. Predicted band structure and density of states have indicated that Sr_0.75Ti_0.25S, Sr_0.75Ti_0.25Se, and Sr_0.75Ti_0.25Te compounds have a half-metallic ferromagnetic behaviors with a direct band gap at (Γ − Γ) direction of the spin down case. In addition, the important half-metallic gaps confirm the right ferromagnetic nature of the compounds used. The results obtained from the magnetic moments showed that the Ti impurity element has major contribution compared with nonmagnetic Sr, S, Se, and Te atoms. The value of total magnetic moments has been evaluated to equal to 2 μB per Ti atom. Considering the significance of the obtained results, the suitable half-metallic features of Sr_0.75Ti_0.25X (X = S, Se, and Te) compounds can play an important role in spintronic applications.

掺有磁性钛（Ti）元素的SrS，SrSe和SrTe硫属锶化物如岩石中的Sr _{1-  x} Ti _x X（X = S，Se和Te）稀释的磁性半导体（DMS）化合物的从头算预测浓度x时研究了盐铁磁性结构 = 0.25，通过在自旋极化密度泛函理论（SP-DFT）的框架内使用全势线性化增强平面波加局部轨道（FP-LAPW + lo）方法。已经证实，所研究系统的铁磁（FM）状态是最稳定的相位。硫属锶锶的估计结构参数与其他可用的理论和实验值非常吻合。预测的能带结构和状态密度表明，Sr _0.75 Ti _0.25 S，Sr _0.75 Ti _0.25 Se和Sr _0.75 Ti _0.25 Te化合物具有半金属铁磁行为，在（Γ  -  Γ）旋转外壳的方向。此外，重要的半金属间隙证实了所用化合物的正确铁磁性质。从磁矩获得的结果表明，与非磁性Sr，S，Se和Te原子相比，Ti杂质元素具有主要贡献。总磁矩的值已评估为等于每个Ti原子2μB。考虑到所获得结果的重要性，Sr _0.75 Ti _0.25 X（X = S，Se和Te）化合物的合适半金属特征在自旋电子学应用中可以发挥重要作用。