The new Bai-xTi_xS compounds based on the titanium (Ti)-doped BaS at various concentrations x = 0.25, 0.5 and 0.75 were characterized using the first-principle concepts of density functional theory. We investigated the doping effect of titanium on the structural and electronic properties, induced ferromagnetism, half-metallicity and exchange splittings in Ba_1-xTixS materials. The origin of ferromagnetism in the Ba_1-xTi_xS compounds is due to the localized partially occupied 3d (Ti) states related to the double exchange mechanism. The electronic structures of Ba_1-xTi_xS at concentrations x = 0.25 and 0.5 show half-metallic ferromagnetic character with spin polarization of 100%. For concentration x = 0.75 the Ba_0.25Ti_0.75S exhibits a metallic nature for two spins channels due to widening 3d (Ti) states in the gap. Therefore, Bai-xTi_xS at concentrations x = 0.25 and 0.5 seems to be potential candidat for spintronics.

使用密度泛函理论的第一原理概念表征了基于各种浓度x = 0.25、0.5和0.75的钛（Ti）掺杂的BaS的新型Bai- x Ti _x S化合物。我们研究了钛在Ba _{1- x} Ti x S材料中对结构和电子性能，感应铁磁性，半金属性和交换分裂的掺杂效应。Ba _{1- x} Ti _x S化合物中铁磁性的起源是由于与双交换机制有关的局部部分占据的3d（Ti）状态。Ba _{1- x} Ti _x的电子结构浓度x = 0.25和0.5的S表现出具有自旋极化100％的半金属铁磁特性。对于x = 0.75的浓度，Ba _0.25 Ti _0.75 S由于间隙中的3d（Ti）态变宽而表现出两个自旋通道的金属性质。因此，浓度x = 0.25和0.5的Bai- x Ti _x S似乎是自旋电子学的潜在候选人。