Department of Physics and Astronomy

Master Thesis Projects at Materials Theory

Below you can see a list of master thesis projects that the division of Materials Theory is posting at the moment. For more information, please contact Olle Eriksson or Susanne Mirbt

See also the list of bachelor thesis proposals as some of these may be suitable as master projects as well.


Applications of ab initio molecular dynamics in cemented carbides sintering (Sandvik Coromant)

During sintering of cemented carbides, the evolution of the microstructure can be controlled by changing the chemical potentials in the raw material powders, or in the atmosphere. The transport of elements trough the liquid binder phase however differs between elements. In this project we will calculate, using ab initio molecular dynamics simulations, the mobility of different elements in the liquid binder. It is furthermore the aim to investigate how interactions between elements affect the diffusion rates.

Additional information

Contact
Andreas Blomqvist
andreas.blomqvist@sandvik.com
+46 (0)8 726 64 24


Properties of the d+id-wave superconducting graphene

This project involves theoretical and numerical modeling of the proposed d+id-wave superconducting state in graphene. Interesting aspects that can be investigated are impurities, domain walls, and vortices.

Contact
Annica Black-Schaffer


Spin-orbit coupled impurities in topological insulators

This project involves theoretical and numerical modeling of spin-orbit coupled impurities on the surface of a topological insulator. Special attention will be paid to the magnetic properties of the impurity-induced resonance peaks.

Contact
Annica Black-Schaffer


Impurities in spin-orbit coupled semiconductors with proximity-induced superconductivity

Depositing a superconductor on top of a spin-orbit coupled semiconductor can produce a topological superconductor, which hosts Majorana fermions in vortex cores. This project involves theoretical and numerical modeling of the effects of impurities in these systems.

Contact
Annica Black-Schaffer


First principles theory of complex oxides

Supervisor
Biplab Sanyal


Exploring physics of graphene by realistic simulations

Supervisor
Biplab Sanyal


Vibrational properties of random alloys from first principles theory

Supervisor
Biplab Sanyal


Structure and magnetism of nanoclusters

Supervisor
Biplab Sanyal


Non-equilibrium dynamics of localized spin on metallic surface

Supervisor
Jonas Fransson


Effects of local vibrations on the electronic structure of graphene

Supervisor
Jonas Fransson


Inelastic scattering effects of magnetic impurities on topological insulators

Supervisor
Jonas Fransson


Dynamics of a magnetic moment in a Josephson junction

Supervisor
Jonas Fransson


Theoretical studies of molecular spin pump systems

Supervisor
Jonas Fransson


Theory of ultrafast laser-induced demagnetization

Supervisor
Peter Oppeneer


Computational theory of spin thermal transport

Supervisor
Peter Oppeneer


Theory and calculations for novel x-ray magnetic spectroscopy

Supervisor
Peter Oppeneer


Laser-induced ultrafast spin currents

Our group has recently developed a novel microscopic theory to explain how an ultrashort laser pulse could modify the magnetic system within a few hundred femtoseconds after laser excitation.The purpose of this project is to improve the electron transport description within this model by introducing a new source of electron scattering, which hitherto has been missing, the electron-phonon scattering. Another aim of this project is to develop theory of spin current-induced torques in magnetic materias.

Contact
Pablo Maldonado and Peter Oppeneer


Realistic modelling of superconducting materials

We have recently developed a state-of-the-art computational framework for the realistic modelling of superconductors by combining quantum field theoretical methods with DFT ab initio calculations. Several projects where students can get familiar with this powerful technique are available. These include employing the already developed tools to study superconductors of current interest and/or incorporating and testing new features to the present codes like for example impurity scattering effects.

Contact
Alex Aperis and Peter Oppeneer


Hidden order and superconductivity in URu2Si2

Below 17.5K, URu2Si2 exhibits a phase transition into a yet unidentified quantum state, the so-called "hidden order" (HO). The nature of the HO has remained a highly controversial and hot topic in the field of strongly correlated electrons for the last 30 years, despite the immense scientific activity on the subject. Interestingly, while in the HO phase and below 1.5K, URu2Si2 becomes an exotic superconductor. The goal of this project is to study numerically the interplay between superconductivity and different candidate states for the HO. This should bring us a step closer in solving the puzzle of the HO in this material.

Contact
Alex Aperis and Peter Oppeneer


Theory of Quasi-Particle Interference (QPI) in multicomponent systems

During the last decade, Quasi-Particle-Interference has emerged as a key experimental technique for the momentum-resolved imaging of quasiparticles in the superconducting state. The goal of this project is to develop a numerically efficient, generalized framework for the simulation of QPI experiments in materials where multiple quantum states of matter (e.g. superconductivity, antiferromagnetism, etc) coexist.

Contact
Alex Aperis and Peter Oppeneer