论文标题
rb $ _ {x} $ sr $ _ {1-x} $ c小说合金的磁性
Magnetism in Rb$_{x}$Sr$_{1-x}$C novel alloy
论文作者
论文摘要
我们报告了一项关于新型RB $ _ {x} $ sr $ _ {1-x} $ c Alloy的电子和磁性的研究。我们发现，晶格参数作为RB组成的函数的变化表现出与Vegard定律约0.4Å的偏差。总能量结果预测了富含SR的合金的铁磁有序，以及富含RBC的合金的抗磁磁有序，总磁矩为2至3 $μ__\ text {b} $每阳离子。至于母体化合物，RBC和SRC，磁性的起源是碳$ p $ - 轨道的两极化产生的。从自旋偏振计算中，我们注意到RB $ _ {x} $ sr $ _ {1-x} $ c Alloy的半金属性在$ x <0.875 $中被确认。另一方面，与纯父型化合物相比，在半导体旋转部分中观察到了直接带隙。
We report a study on the electronic and magnetic properties of a novel Rb$_{x}$Sr$_{1-x}$C alloy. We find that the variation of the lattice parameter as function of Rb composition exhibits a deviation from the Vegard's law of about 0.4 Å. The total energy results predict a ferromagnetic ordering for Sr-rich alloy, and antiferromagnetic ordering for RbC-rich alloy with a total magnetic moment ranging from 2 to 3$μ_\text{B}$ per cation. As for the parent compounds, RbC and SrC, the origin of magnetism arises from the polarization of the carbon $p$-orbitals. From the spin-polarized calculations, we note that the half-metallicity in the Rb$_{x}$Sr$_{1-x}$C alloy is confirmed for $x<0.875$. On the other hand, a direct band gap is observed in the semiconducting spin part, in contrast to the pure parent compounds.
