论文标题
尖晶石材料中自旋偏振半法的计算发现
Computational discovery of spin-polarized semimetals in spinel materials
论文作者
论文摘要
具有自旋偏振电子状态的材料由于其潜在的旋转型物质而引起了极大的兴趣。根据第一原理的计算，我们研究了一系列AB2X4辣椒旋晶型尖晶石结构的电子特性，并提出了两个有前途的候选者VZN2O4和VCD2S4，是自旋偏振材料。他们俩都有铁磁基态。他们在费米水平附近的频带完全自旋偏振，并在自旋通道中形成两种类型的节点环，并且在旋转通道中的较大间隙阻止了自旋flip。进一步的对称分析表明，节点环受到滑翔镜或镜子对称性的保护。值得注意的是，这些节点环相互连接并形成一个节点链结构，可以通过简单的四频紧密结合（TB）模型很好地描述。具有完全自旋的极化节点链的两种三元粉红色甲状腺尖晶石材料可以在未来的Spintronic应用中充当突出的平台。
The materials with spin-polarized electronic states have attracted a huge amount of interest due to their potential applications in spintronics. Based on first-principles calculations, we study the electronic characteristics of a series of AB2X4 chalcogeniden spinel structures and propose two promising candidates, VZn2O4 and VCd2S4, are spin-polarized semimetal materials. Both of them have ferromagnetic ground states. Their bands near the Fermi level are completely spin-polarized and form two types of nodal rings in the spin-up channel, and the large gaps in the spin-down channel prevent the spin-flip. Further symmetry analysis reveals that the nodal rings are protected by the glide mirror or mirror symmetries. Significantly, these nodal rings connect with each other and form a nodal chain structure, which can be well described by a simple four-band tight-binding (TB) model. The two ternary chalcogeniden spinel materials with a fully spin polarized nodal chain can serve as a prominent platform in the future applications of spintronic.
