Why did you choose the ICMAB?

I chose ICMAB because I wanted to work in a project I was really interested in with Massimiliano Stengel, who has been my PhD supervisor during these years.

How would you explain your research to a non-scientific audience?

We study, via computer simulations, how material properties change with external perturbations that are modulated in space; for example, a non-uniform mechanical deformation.

What are the main applications of your research? Could you give us an example?

The primary real-world applications might involve creating devices for use in nanoscale technology, such as sensors, actuators, and others.

What will you miss the most from ICMAB?

Many things, but in short: the atmosphere that is both professional and friendly.

How do you think this experience will contribute to your training and to your future?

I think it will equip me with the skills needed to handle the difficulties and challenges that arise during research.

What do you wish you had known at the beginning of your PhD?

Two main things. The first thing is that it is OK to struggle with a problem for days or even weeks in scientific research. The second is that, despite the hard work required at times, these PhD years will be ones I remember as some of the best of my life, both personally and professionally.

Why did you become a scientist? Which have been your role models?

I have always liked physics, so this was an easy choice for me from the beginning. My role models have been my professors; in particular I would mention Aitor Bergara and Maia García Vergniory.

Which is your favourite female scientist?

Maia García Vergniory

Abstract:

This thesis focuses on advancing the fundamental understanding of a broad class of spatial dispersion properties within the field of condensed matter physics, by developing and applying novel, accurate, and efficient first-principles methods. We target three representative examples, respectively in optics (natural optical activity), lattice dynamics (Lorentz forces and molecular g factors), and electromechanics (flexoelectricity in polar metals). First-principles electronic structures calculations are performed within the framework of density-functional theory (DFT) and density functional perturbation theory (DFPT), with plane waves and pseudopotentials. Spatial dispersion properties are studied under the framework of the recently implemented long-wave DFPT, on top of which we further develop our new theoretical and computational implementations.

Supervisor

•  Massimiliano Stengel

PhD Comittee

• President: Nicola Spaldin, ETH Zürich, Switzerland
• Secretary: Alberto García, ICMAB-CSIC, Spain
• Vocal: Eric Bousquet, University of Liège, Belgium