In this talk, I will provide an overview of the current status of electronic structure theory applied to the field of (nano)magnetism. I will discuss how first-principles methods, particularly density functional theory (DFT), enable us to model a wide range of magnetic materials fully grounded in quantum mechanics. I will then address the challenges that arise when the relevant magnetic...
Atomistic spin dynamics bridges DFT calculations to many experimental probes. In this talk I will introduce the method and present a selection of results where spin simulations have proven more than useful for experiments. An overview of existing and possible correlation functions relevant for scattering experiments will also be provided. In addition I will also present the current state of...
Understanding and controlling topological magnetic textures, such as skyrmions, spin spirals, and chiral domain walls, is essential for developing next-generation spintronic and energy-efficient magnetic devices. Their formation and stability depend sensitively on the underlying microscopic magnetic interactions. In this work, we employ a multiscale theoretical approach that bridges...
We develop a real-space first-principles method based on density functional theory to investigate orbitronic phenomena in complex materials. Using the Real-Space Linear Muffin-Tin Orbital method within the Atomic Sphere Approximation (RS-LMTO-ASA) combined with a Chebyshev polynomial expansion of the Green's functions, we compute orbital (spin) Hall transport and orbital (spin) accumulation...
