Related papers: Magnons from time-dependent density-functional per…
We present a comprehensive study of the spin excitations - as measured by the dynamical spin structure factor $S(q,\omega)$ - of the so-called block-magnetic state of low-dimensional orbital-selective Mott insulators. We realize this state…
Spin relaxation and decoherence is at the heart of spintronics and spin-based quantum information science. Currently, theoretical approaches that can accurately predict spin relaxation of general solids including necessary scattering…
We explore the derivation of interatomic exchange interactions in ferromagnets within density-functional theory (DFT) and the mapping of DFT results onto a spin Hamiltonian. We delve into the problem of systems comprising atoms with strong…
Starting from exact expression for the dynamical spin susceptibility in the time-dependent density functional theory a controversial issue about exchange interaction parameters and spin-wave excitation spectra of itinerant electron…
Motivated by the iron pnictides, we examine the spin excitations in an itinerant antiferromagnet where a spin-density wave (SDW) originates from an excitonic instability of nested electron-like and hole-like Fermi pockets. Using the random…
The dynamics of disordered nuclear spin ensembles are the subject of nuclear magnetic resonance studies. Due to the through-space long-range dipolar interaction generically many spins are involved in the time evolution, so that exact brute…
The usual starting point for understanding magnons in cuprate antiferromagnets such as La$_2$CuO$_4$ is a spin model incorporating cyclic exchange, which descends from a one-band Hubbard model, and has parameters taken from fits based on…
We provide a theoretical demonstration of controllable non-relativistic spin splitting in both electronic and magnonic bands via targeted structural distortions tied to specific phonon modes. Using MnF$_2$ as a model system, we identify a…
We propose an alternative micromagnetic approach to determine the spin wave dispersion relations in magnonic structures. Characteristic of the method is that a limited area of the system is continuously excited with a spatially uniform…
Spin waves propagating in magnetic materials exhibit nonlinear behavior at large amplitudes due to the competition between excitation and relaxation, providing an attractive platform for exploring nonlinear wave dynamics. In particular,…
Using a combination of density functional theory (DFT) and spin-wave theory methods, we investigate the magnetic interactions and spin excitations in semiconducting VI$_3$. Exchange parameters of monolayer, bilayer, and bulk forms are…
The traditional Landau-Lifshitz-Gilbert (LLG) equation has often delineated the linear and nonlinear magnetization dynamics, even at ultrashort timescales e.g., femtoseconds. In contrast, several other non-relativistic and relativistic spin…
For more than three decades, clear discrepancies have existed between spin densities in momentum space revealed by Magnetic Compton scattering experiments and theoretical calculations based on density functional theory (DFT). Here by making…
Accurate first-principles predictions of the structural, electronic, magnetic, and electrochemical properties of cathode materials can be key in the design of novel efficient Li-ion batteries. Spinel-type cathode materials Li$_x$Mn$_2$O$_4$…
Nonlinear manipulation of nuclear and electron spins is the basis for all advanced methods in magnetic resonance including multidimensional nuclear magnetic and electron spin resonance spectroscopies, magnetic resonance imaging, and in…
Twisted transition metal dichalcogenides (tTMDs) provide a highly tunable platform to explore the interplay between strong correlation and topology. Among them, the properties involving the charge degree of freedom have been extensively…
An accurate description of the two-electron density, crucial for magnetic coupling in spin systems, provides in general a major challenge for density functional theory calculations. It affects, e.g., the calculated zero-field splitting…
Within the framework of density functional perturbation theory (DFPT), we implement and test a novel "metric wave" response-function approach. It consists in the reformulation of an acoustic phonon perturbation in the curvilinear frame that…
Spin waves, or magnons, are fundamental excitations in magnetic materials that provide insights into their dynamic properties and interactions. Magnons are the building blocks of magnonics, which offer promising perspectives for data…
The Hohenberg-Kohn theorem of density functional theory (DFT) for the case of electrons interacting with an external magnetic field (that couples to spin only) is examined in more detail than previously. A unexpected generalization is…