PhD Thesis Defense- Unai Aseguinolaza
Anharmonic effects in thermoelectric and 2D materials
Candidate: Unai Aseguinolaza
Supervisors: Ion Errea and Aitor Bergara
Research group: Quantum Theory of Materials
When: 18th of September, 10:30 am
In this thesis we study materials where anharmonicity is crucial to understand their physical properties. In the first part we have studied high efficiency thermoelectric materials like SnSe and SnS. We have seen that non-perturbative anharmonicity is very important to understand their vibrational and thermal properties. In the second part we have analyzed the anharmonic effects in the acoustic vibrations of 2D materials. We see that the harmonic approximation completely breaks down and anharmoniciy is crucial for a proper undestanding.