Steady-state non-equilibrium numerical renormalization group approach applied to molecular electronics

应用于分子电子学的稳态非平衡数值重正化群方法

• 批准号: 323777494
• 负责人: Professor Dr. Frithjof B. Anders
• 金额: --
• 依托单位: Lehrstuhl für Theoretische Physik II (aufgelöst)
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2016
• 资助国家: 德国
• 起止时间: 2015-12-31 至 2019-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/323777494?language=en
• 关键词: Steady; state; non; equilibrium; numerical

This project focuses on the steady-state transport properties of nano-devices consisting of a strongly correlated central region as realised in small quantum dots or molecular junctions. We propose the application of a novel technique to steady state quantum transport based on Wilson's numerical renormalization group approach to directly calculate the current-voltage characteristics of molecular junction in the non-equilibrium regime for strong coupling constants.The influence of a rattling motion onto the current transport and possibility ofa current driven bistability of the molecular occupation in asymmetric molecular junctions shall be investigated. Ab-initio LDA hybridization functions will be used as single-particle input for a realistic modeling of molecular junctions.

该项目主要研究由小量子点或分子结中的强相关中心区域组成的纳米器件的稳态输运特性。提出了一种基于威尔逊数值重整化群方法的稳态量子输运新方法，直接计算了强耦合常数下非平衡区分子结的电流-电压特性，并研究了非对称分子结中颤动运动对电流输运的影响以及分子占据的电流驱动双稳态的可能性。从头算LDA杂交函数将被用作分子连接的真实模型的单粒子输入。

项目成果

Modeling of the gate-controlled Kondo effect at carbon point defects in graphene

• DOI: 10.1103/physrevb.97.155419
• 发表时间: 2018-04-18
• 期刊: PHYSICAL REVIEW B
• 影响因子: 3.7
• 作者: May, Daniel;Lo, Po-Wei;Anders, Frithjof B.
• 通讯作者: Anders, Frithjof B.

Inelastic electron tunneling spectroscopy for probing strongly correlated many-body systems by scanning tunneling microscopy

• DOI: 10.1103/physrevb.101.125405
• 发表时间: 2019-10
• 期刊: Physical Review B
• 影响因子: 3.7
• 作者: Fabian Eickhoff;Elena Kolodzeiski;T. Esat;N. Fournier;C. Wagner;Thorsten Deilmann;R. Temirov;M. Ro

Analytical and numerical study of the out-of-equilibrium current through a helical edge coupled to a magnetic impurity

• DOI: 10.1103/physrevb.101.165112
• 发表时间: 2019-12
• 期刊: Physical Review B
• 影响因子: 3.7
• 作者: Yuval Vinkler-Aviv;D. May;F. Anders