不同维度铁磁材料自旋电子结构模拟、表征与调控

项目名称： 不同维度铁磁材料自旋电子结构模拟、表征与调控

项目编号： No.11304257

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 数理科学和化学

项目作者： 吴雅苹

作者单位： 厦门大学

项目金额： 30万元

中文摘要： 随着科学技术的发展，功能材料器件趋于小尺度和低维度，许多新奇特性应运而生，尤其是电子自旋相关研究已成为本领域前沿热点。项目拟从第一性原理入手，计算不同维度铁磁材料(Fe、Co、Ni)在不同温度、磁场下自旋极化能带结构、自旋分波态密度及其特定能态二维空间分布。在此基础上，控制生长条件，在石墨烯表面构建铁磁材料零维量子点、一维量子线及二维超薄结构。利用自旋极化扫描隧道显微技术，表征不同维度铁磁材料的表面形貌、原子分辨的自旋电子态结构及其二维空间分布，以了解维度、尺寸与磁各向异性、自旋极化等特性的内在联系。研究温度、强磁场等对低维铁磁材料表面电子态交换劈裂、自旋密度波、超顺磁性等自旋相关特性的影响。进一步在石墨烯等二维表面上构建贵金属(Pt、Au)二维晶格，深入探索不同维度铁磁材料与贵金属的强电子自旋轨道耦合，揭示其影响铁磁材料特性的微观物理机制，进而实现对不同维度铁磁材料自旋特性的调控。

中文关键词： 自旋电子学；不同维度铁磁材料；自旋调控；第一性原理计算；异质结构

英文摘要： Since a rapid progressing of scientific, the materials of functional devices tend to achieve the nano-scale and low dimensional configurations. Benefited from those low dimensional effects, a variety of novel and peculiar properties in such function materials becomes a new focus in the spintronics. In this project, the first-principles simulations based on the density-functional theory will be employed to calculate the spin polarized band structures, the spin partial density of states and its in-plane distribution in different dimensions under certain temperatures and magnetic fields conditions. Based on the theoretical results, the quantum dots (0D), the quantum wires (1D) and the ultra-thin films (2D) of the magnetic metals, e.g. Fe, Co, Ni, will be prepared on graphene surface by a modulation of growth conditions. The topography of materials and the structures of spintronic electronic states, as well as the spatial distribution will be characterized in an atomic resolution by the spin polarized scanning tunneling microscopy. Accordingly, dimension dependent spin polarization and magnetic anisotropy will be analyzed. The exchange splitting of the surface states, spin density wave, super-paramagnetic effects et al. will be studied by varying the temperature and magnetic field. In the light of it, the noble meta

英文关键词： Spintronics；Ferromagnetic materials with different dimension；Control of spintronic structure；First-principles calculations；Heterostructures