纳米FePt颗粒:MgO多层复合薄膜的外延生长、微观结构与磁性研究

采用脉冲激光沉积法,在MgO(100)面上外延生长了FePt:MgO多层纳米复合薄膜,FePt成分为Fe48Pt52.FePt纳米颗粒周期性嵌埋于单晶MgO外延层中.原位反射式高能电子衍射分析结果表明,MgO外延层呈层状生长,而FePt纳米颗粒呈岛状生长.在整个FePt:MgO纳米复合薄膜的生长过程中,成功实现了层状-岛状生长模式的交替控制.高分辨透射电子显微镜分析结果表明,退火热处理后,结晶完整的L10-FePt纳米颗粒粒径约为5 nm,呈扁平六角形状,在MgO基底上形成逐层排列的纳米点阵.磁滞回线结果表明,退火后薄膜矫顽力增大,有序度提高,磁性增强.     

First-principles study of structural,electronic and optical properties of ZnF_2

The structural, electronic, and optical properties of rutile-, CaC12-, and PdF2-ZnF2 are calculated by the plane-wave pseudopotential method within the density functional theory. The calculated equilibrium lattice constants are in reasonable agreement with the available experimental and other calculated results. The band structures show that the rutile-, CaCl2-, and PdF2-ZnF2 are all direct band insulator. The band gaps are 3.63, 3.62, and 3.36 eV, respectively. The contribution of the different bands was analyzed by the density of states. The Mulliken population analysis is performed. A mixture of covalent and weak ionic chemical bonding exists in ZnF2. Furthermore, in order to understand the optical properties of ZnF2, the dielectric function, absorption coefficient, refractive index, electronic energy loss spectroscopy, and optical reflectivity are also performed in the energy range from 0 to 30 eV. It is found that the main absorption parts locate in the UV region for ZnF2. This is the first quantitative theoretical prediction of the electronic and optical properties of ZnF2 compound, and it still awaits experimental confirmation.