Thesis (Selection of subject)Thesis (Selection of subject)(version: 307)
Assignment details
Sily vyvolané elektrickým prúdom v nanoskopických kvantových vodičoch
Thesis title in Czech: Sily vyvolané elektrickým prúdom v nanoskopických kvantových vodičoch
Thesis title in English: Current-induced forces in nanoscopic quantum conductors
English key words: current-induced forces quantum transport non-equilibrium graphene
Academic year of topic announcement: 2019/2020
Type of assignment: diploma thesis
Thesis language:
Department: Department of Condensed Matter Physics (32-KFKL)
Supervisor: Ing. Richard Korytár, Ph.D.
(1) Learning first-principles calculations with applications to quantum transport: current through molecular junctions.
(2) Implementing the calculation of the current-induced force. Programming skills required! Outcome: a computer code (module).
(3) Tests and benchmarks.
(4) Scientific research and applications of the code. Possible system of interest: graphene ribbon with impurities or/and vaccancies
Local Current Density Calculations for Molecular Films from Ab Initio, M. Walz, A. Bagrets, and F. Evers, J. Chem. Theory Comput. 11, 5161 (2015)
J.C. Cuevas, E. Scheer, Molecular Electronics: An Introduction to Theory and Experiment, World Scientific 2010
Current-induced forces in mesoscopic systems: a scattering matrix approach, Beilstein J. Nanotechnol. 2012, 3, 144-162
Preliminary scope of work in English
Electronic transport in molecules and nanoscale conductors presents a research field with fascinating applications of Quantum Theory. In this project we would like to focus on the so called "wind force" that the electronic current exerts on the atomic backbone of the conductor (molecule). The aim is to understand these forces in molecular junctions and films. An interesting example is a graphene ribbon. Here it was shown that due to impurities, current density can be locally amplified by a factor 100 compared to the average current density. Interesting, so far unanswered questions are: what is the magnitude of these forces? When do they uptake? How to control/suppress them? This project will open a new research path in the field of Molecular Electronics.
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