While metasurfaces (MSs) are constructed from deeply subwavelength unit cells, they are generally electrically large and full-wave simulations of the complete structure are computationally expensive. Thus, to reduce this high computational cost, nonuniform ...
Interatomic processes play a crucial role in weakly bound complexes exposed to ionizing radiation; therefore, gaining a thorough understanding of their efficiency is of fundamental importance. Here, we directly measure the timescale of interatomic Coulombi ...
The phenomenology of resonant scattering has been known since the earliest experiments upon scattering of atomic beams from surfaces and is a means of obtaining experimental information about the fundamentals of weak adsorption systems in the van der Waals ...
Electron-phonon (e-ph) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons, and metal-insulator transitions. First-principles approaches enable accurate calculations of e- ...
We investigate systematically the spin-Nernst effect in Neel and zigzag ordered honeycomb antiferromagnets. Monolayers of transition-metal trichalcogenides, MnPSe3, MnPS3, and VPS3 show an antiferromagnetic Neel order while CrSiTe3, NiPS3, and NiPSe3 show ...
Molecular simulations allow to investigate the behaviour of materials at the atomistic level, shedding light on phenomena that cannot be directly observed in experiments. Accurate results can be obtained with ab initio methods, while simulations of large-s ...
This thesis is devoted to the investigation of static and dynamic properties of
two different sets of quantum magnets with neutron scattering techniques and
the help of linear spin wave theory.
Both systems are copper-based with spin-1/2, which makes them ...
Predictive modeling of two-dimensional (2D) materials is at the crossroad of two current rapidly growing interests: 2D materials per se, massively sought after and explored in experimental laboratories, and materials theoretical-computational models in gen ...
Collective spin excitations can propagate in magnetically ordered materials in the form of waves. These so-called spin waves (SWs) or magnons are promising for low-power beyond-CMOS information processing, which does not rely anymore on the lossy movement ...
Over the last two decades, many technological and scientific discoveries, ranging from the development of materials for energy conversion and storage through the design of new drugs, have been accelerated by the use of preliminary in silico experiments, to ...
Magnetic impurities generate a wealth of phenomena on surfaces. On metals, conducting electrons screen the magnetic moment giving rise to the Kondo effect. On superconductors, the Yu-Shiba-Rusinov (YSR) states emerge inside the superconducting gap due to t ...
Quantum computing is one of the great scientific challenges of the 21st century. Small-scale
systems today promise to surpass classical computers in the coming years and to enable the
solution of classically intractable computational tasks in the fields of ...
