Transversal transport properties and electron-magnon interaction: An ab initio description

横向传输特性和电子-磁振子相互作用：从头开始描述

• 批准号: 197928803
• 负责人: Professor Dr. Arthur Ernst
• 金额: --
• 依托单位: Institut für Theoretische Physik
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2011
• 资助国家: 德国
• 起止时间: 2010-12-31 至 2019-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/197928803?language=en
• 关键词: Transversal; transport; properties; electron; magnon

The aim of the project is the investigation the magneto-Seebeck effect which is the change of the thermopower of a molecular junction or a planar junction consisting of two ferro-magnetic leads separated by either a molecule or a metallic spacer layer. The idea is that the electronic structure of the molecule or the metallic spacer layer can be manipulated by the relative orientation of the lead magnetization. The expected effect is a sign change of the Seebeck coefficient which would mean that the direction of the heat current could be manipulated by an external magnetic field. The effect will be investigated by ab initio elec-tronic structure calculations based on density functional theory. The transport properties are calculated in the coherent limit based on Landauer theory or in the diffusive limit based on the Boltzmann equation taking into account damping by electron-magnon interaction.

该项目的目的是研究磁塞贝克效应，这是由分子或金属间隔层分隔的两个铁磁引线组成的分子结或平面结的热电势的变化。其思想是，分子或金属间隔层的电子结构可以通过引线磁化的相对取向来操纵。预期的效果是塞贝克系数的符号变化，这意味着热流的方向可以通过外部磁场来操纵。该效应将通过基于密度泛函理论的从头计算电子结构来研究。输运性质的计算在相干限制的基础上的Landauer理论或在扩散限制的基础上的玻尔兹曼方程考虑到电子-磁振子相互作用的阻尼。