Related papers: Wannier-function approach to spin excitations in s…
We introduce a maximally-localized Wannier function representation of Bloch excitons, two-particle correlated electron-hole excitations, in crystalline solids, where the excitons are maximally-localized with respect to an average…
Quantifying materials' dynamical responses to external electromagnetic fields is central to understanding their physical properties. Here we present an implementation of the density functional perturbation theory for the computation of…
We formulate Wannier orbital overlap population and Wannier orbital Hamilton population to describe the contribution of different orbitals to electron distribution and their interactions. These methods, which are analogous to the well known…
We present a new method to model spin-wave excitations in magnetic solids, based on the Liouville-Lanczos approach to time-dependent density functional perturbation theory. This method avoids computationally expensive sums over empty states…
We present a systematic analysis on the basis of ab initio calculations and many-body perturbation theory for clarifying the dominant fluctuation in complex charge-spin-orbital coupled systems. For a tight-binding multiband model obtained…
We combine ultra-high-resolution inelastic neutron scattering and quantum Monte Carlo simulations to study thermodynamics and spin excitations in the spin-supersolid phase of the triangular lattice XXZ antiferromagnet K$_2$Co(SeO$_3$)$_2$…
Using a spin-only model, we compute spin excitation spectra in a bond-centered stripe state with long-range magnetic order. We employ a bond operator formalism, which naturally captures both dimerization and broken spin symmetry in a…
High spin systems, like those that incorporate rare-earth $4f$ elements (REEs), are increasingly relevant in many fields. Although research in such systems is sparse, the large Hilbert spaces they occupy are promising for many applications.…
We introduce a new type of Wannier functions (WFs) obtained by minimizing the conventional spread functional with a penalty term proportional to the variance of the spread distribution. This modified Wannierisation scheme is less prone to…
We have measured dispersions of spin-flip waves and spin-flip single-particle excitations of a spin polarized two-dimensional electron gas in a CdMnTe quantum well using resonant Raman scattering. We find the energy of the spin-flip wave to…
We propose a computational scheme for materials where standard Local Density Approximation (LDA) fails to produce a satisfactory description of excitation energies. The method uses Slater's "transition state" approximation and Wannier…
We present a theory of the elementary spin excitations in transition metal ferromagnet nanoparticles which achieves a unified and consistent quantum description of both collective and quasiparticle physics. The theory starts by recognizing…
Magnetism and spin physics are true quantum mechanical effects and their description usually requires multi reference methods and is often hidden in the standard description of molecules in quantum chemistry. In this work we present a…
Twisted magnetic van der Waals (vdW) materials offer a promising route for multiferroic engineering, yet modeling large-scale moir\'e superlattices remains challenging. Leveraging a newly developed SpinGNN++ framework that effectively…
Spin excitations play a fundamental role in understanding magnetic properties of materials, and have significant technological implications for magnonic devices. However, accurately modeling these in transition-metal and rare-earth…
When using Wannier functions to study the electronic structure of multi-parameter Hamiltonians $H^{(\boldsymbol k,\bf \lambda)}$ carrying a dependence on crystal momentum $\boldsymbol k$ and an additional periodic parameter $\bf\lambda$,…
We present the observation of a complete bandgap and collective spin wave excitation in two-dimensional magnonic crystals comprised of arrays of nanoscale antidots and nanodots, respectively. Considering that the frequencies dealt with here…
Nanoscale magnetic systems have been studied extensively in various geometries, such as wires of different cross-sections, arrays of wires, dots, rings, etc. Such systems have interesting physical properties and promising applications in…
We introduce a novel approach for the investigation of spin-wave excitations in itinerant ferromagnets. Our theory is based on a variational treatment of general multi-band Hubbard models which describe elements and compounds of transition…
A versatile method for combining density functional theory (DFT) in the local density approximation (LDA) with dynamical mean-field theory (DMFT) is presented. Starting from a general basis-independent formulation, we use Wannier functions…