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We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear…

Computational Physics · Physics 2022-08-31 Tommaso Gorni , Oscar Baseggio , Pietro Delugas , Stefano Baroni , Iurii Timrov

The Liouville-Lanczos approach to linear-response time-dependent density-functional theory is generalized so as to encompass electron energy-loss and inelastic X-ray scattering spectroscopies in periodic solids. The computation of virtual…

Materials Science · Physics 2015-06-16 Iurii Timrov , Nathalie Vast , Ralph Gebauer , Stefano Baroni

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…

Materials Science · Physics 2025-05-07 Luca Binci , Nicola Marzari , Iurii Timrov

We present a first-principles method based on density functional theory and many-body perturbation theory for computing spin excitations in magnetic systems with noncollinear spin textures. Traditionally, the study of magnetic excitations…

Materials Science · Physics 2025-10-21 Hsiao-Yi Chen , Ryotaro Arita , Yusuke Nomura

We extend recently proposed variational coupled-cluster method to describe excitation states of quantum antiferromagnetic bipartite lattices. We reproduce the spin-wave excitations (i.e., magnons with spin $\pm 1$). In addition, we obtain a…

Strongly Correlated Electrons · Physics 2009-11-11 Y. Xian

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…

Strongly Correlated Electrons · Physics 2009-10-31 J. Buenemann

Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…

Materials Science · Physics 2023-02-14 Zefeng Cai , Ke Wang , Yong Xu , Su-Huai Wei , Ben Xu

We introduce a new implementation of time-dependent density-functional theory which allows the \emph{entire} spectrum of a molecule or extended system to be computed with a numerical effort comparable to that of a \emph{single} standard…

Materials Science · Physics 2009-11-13 Dario Rocca , Ralph Gebauer , Yousef Saad , Stefano Baroni

We present a computationally efficient general first-principles based method for spin-lattice simulations for solids. Our method is based on a combination of atomistic spin dynamics and molecular dynamics, expressed through a spin-lattice…

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…

Mesoscale and Nanoscale Physics · Physics 2014-03-12 Ben Van de Wiele , Federico Montoncello

We present an implementation of time-dependent density functional perturbation theory for spin fluctuations, based on planewaves and pseudopotentials. We compute the dynamic spin susceptibility self-consistently by solving the…

Materials Science · Physics 2018-01-24 Kun Cao , Henry Lambert , Paolo G. Radaelli , Feliciano Giustino

We derive the spin-wave dynamics of a magnetic material from the time-dependent spin density functional theory in the linear response regime. The equation of motion for the magnetization includes, besides the static spin stiffness, a "Berry…

Materials Science · Physics 2009-11-07 Zhixin Qian , Giovanni Vignale

We present a computational scheme to study spin excitations in magnetic materials from first principles. The central quantity is the transverse spin susceptibility, from which the complete excitation spectrum, including single-particle…

Materials Science · Physics 2010-03-04 Ersoy Sasioglu , Arno Schindlmayr , Christoph Friedrich , Frank Freimuth , Stefan Blügel

The parametric excitation of spin waves by coherent surface acoustic waves is demonstrated experimentally in metallic magnetic thin film structures. The involved magnon modes are analyzed with micro-focused Brillouin light scattering…

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…

Superconductivity · Physics 2007-05-23 Matthias Vojta , Tobias Ulbricht

Spin-wave excitations are fundamental to understanding the behavior of magnetic materials and hold promise for future information and communication technologies. Yet, modeling these accurately in transition-metal compounds remains…

A general theory of edge spin wave excitations in semi-infinite and finite periodic arrays of magnetic nanodots existing in a spatially uniform magnetization ground state is developed. The theory is formulated using a formalism of…

Mesoscale and Nanoscale Physics · Physics 2016-07-06 Ivan Lisenkov , Vasyl Tyberkevych , Sergey Nikitov , Andrei Slavin

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…

Materials Science · Physics 2009-11-10 M. I. Katsnelson , A. I. Lichtenstein

We study the spin diffusion and spin conductivity in the square lattice Hubbard model by using the finite-temperature Lanczos method. We show that the spin diffusion behaves differently from the charge diffusion and has a nonmonotonic $T$…

Strongly Correlated Electrons · Physics 2021-04-21 Martin Ulaga , Jernej Mravlje , Jure Kokalj

A model-independent approach capable of extracting spin-wave frequencies and displacement vectors from ensembles of supercell spin configurations is presented. The method is appropriate for those systems whose spin-dynamical motion is well…

Other Condensed Matter · Physics 2007-05-23 Andrew L. Goodwin , Martin T. Dove , Matthew G. Tucker , David A. Keen
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