论文部分内容阅读
使用基于密度泛函理论的第一性原理研究,优化了岩盐结构高自旋极化材料Tm S的几何结构,计算了其自旋极化的态密度和离子磁矩等磁电性能,分析了Tm S的电子结构,并对其应用前景做出了展望。结果表明,Tm S在费米面处具有接近98.5%的自旋极化率,为高自旋极化材料,且其原胞磁矩为-4.88μB,为强磁体材料,使其有望成为自旋电子器件的自旋注入端材料。Tm S的原胞磁矩主要来源于稀土元素Tm。
Based on the first principle of density functional theory (DFT), the geometrical structure of the highly spin-polarized material TmS in rock salt structure is optimized and the spin-polarization state density and ionic magnetic moment are calculated. Electronic structure, and prospects for its application. The results show that the Tm S has a spin polarization ratio close to 98.5% at the Fermi level, which is a highly spin-polarized material with a proton moment of -4.88 μB. It is a ferromagnetic material that is expected to become a spintronic device Spin injection end material. Tm S the original cell magnetic moment mainly from rare earth elements Tm.