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Sujet de stage / Master 2 Internship

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Highly spin-polarized electron transport in single molecule nanojunctions

Contact: SMOGUNOV Alexander, , alexander.smogunov@cea.fr, 0169083032
Summary:
We will study theoretically spin-polarized electronic transport in molecular nanojunctions made of a single molecule connecting two ferromagnetic electrodes. The particular stress will be made on the possibility to optimize and to control the degree of spin-polarization of electric current and magnetoresistance properties of a junction.
Possibility of continuation in PhD: Non
Deadline for application:26/04/2019

Full description:
We will study theoretically spin-polarized electronic transport in molecular nanojunctions made of a single molecule connecting two ferromagnetic electrodes. The particular stress will be made on the possibility to optimize and to control the degree of spin-polarization of electric current and magnetoresistance properties of a junction – very important in the field of molecular spintronics [1] – by a clever choice of a molecule itself or by some external factors such as a temperature (via interaction of electrons with molecule vibrations), an electric field (a gate), or a mechanical strain exerted on the molecule by electrodes. The combination of ab initio DFT (Density Functional Theory) electronic structure methods and model calculations, based on quantum-mechanical description of electron transport, will be used during the project employing the codes developped in the group.

[1] A. R. Rocha et al., “Towards molecular spintronics”, Nature Mater. 4, 335(2005); S. Sanvito, “Molecular spintronics”, Chem. Soc. Rev. 40, 3336 (2011).
Technics/methods used during the internship:
Quantum mechanics; Density Functional Theory; Tight-binding models; Non-equilibrium Green's functions

Laboratory
Tutor of the internship

 

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