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In the spirit of multi-scale modelling magnetization dynamics at elevated temperature is often simulated in terms of a spin model where the model parameters are derived from first principles. While these parameters are mostly assumed…

Materials Science · Physics 2017-07-04 A. Deák , D. Hinzke , L. Szunyogh , U. Nowak

We investigate the magnetic properties of a range of low-dimensional ferromagnets using a combination of first-principles calculations and atomistic spin dynamics simulations. This approach allows us to evaluate the ground state and finite…

Materials Science · Physics 2016-11-26 Lars Bergqvist , Andrea Taroni , Anders Bergman , Corina Etz , Olle Eriksson

We have performed realistic atomistic simulations at finite temperatures using Monte Carlo and atomistic spin dynamics simulations incorporating quantum (Bose-Einstein) statistics. The description is much improved at low temperatures…

Materials Science · Physics 2018-01-10 Lars Bergqvist , Anders Bergman

Atomistic spin dynamics (ASD) is a standard tool to model the magnetization dynamics of a variety of materials. The fundamental dynamical model underlying ASD is entirely classical. In this paper, we present two approaches to effectively…

Materials Science · Physics 2024-07-01 Marco Berritta , Stefano Scali , Federico Cerisola , Janet Anders

Far-from-equilibrium magnetization dynamics can be accessed when a magnetic material is subject to a femtosecond excitation, such as an optical laser or an electric current. Numerically, the demagnetization of magnetic materials is…

Mesoscale and Nanoscale Physics · Physics 2026-03-10 Ezio Iacocca

Temperature-dependent magnetic properties of Nd$_2$Fe$_{14}$B permanent magnets, i.e., saturation magnetization $M_\text{s}(T)$, effective magnetic anisotropy constants $K_i^\text{eff}(T)$ ($i=1,2,3$), domain wall width $\delta_w(T)$, and…

Materials Science · Physics 2019-06-18 Qihua Gong , Min Yi , Richard F. L. Evans , Bai-Xiang Xu , Oliver Gutfleisch

A temperature dependent coherent magnetization reversal model is proposed for size-distributed assemblies of ferromagnetic nanoparticles and ferromagnetic-antiferromagnetic core-shell nanoparticles. The nanoparticles are assumed to be of…

An energy based stochastic model for temperature dependent anhysteretic magnetization curves of ferromagnetic materials is proposed and bench marked against experimental data. This is based on the calculation of macroscopic magnetic…

Materials Science · Physics 2016-12-30 Sanjay Sah , Jayasimha Atulasimha

We investigate the contributions of finite-temperature magnetic fluctuations to the thermodynamic properties of bcc Fe as a function of pressure. First, we apply a tight-binding total-energy model parameterized to first-principles…

Materials Science · Physics 2010-07-21 Xianwei Sha* , R. E. Cohen

We calculate the real time non-equilibrium dynamics of quantum spin systems at finite temperatures. The mathematical framework originates from the $C^*$-approach to quantum statistical mechanics and is applied to samples investigated by…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Kolja Them , T. Stapelfeldt , E. Y. Vedmedenko , R. Wiesendanger

In current work, we investigate the density and temperature dependence of polarization parameter; using the relativistic formalism for the electron-electron interaction within the Fermi liquid model. we calculate the spin dependent…

Statistical Mechanics · Physics 2011-03-28 H. Gholizade , D. Momeni

Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…

Materials Science · Physics 2021-04-14 Nataliya Lopanitsyna , Chiheb Ben Mahmoud , Michele Ceriotti

We consider quantum Heisenberg ferro- and antiferromagnets on the square lattice with exchange anisotropy of easy-plane or easy-axis type. The thermodynamics and the critical behaviour of the models are studied by the pure-quantum…

Statistical Mechanics · Physics 2015-06-24 A. Cuccoli , T. Roscilde , V. Tognetti , R. Vaia , P. Verrucchi

Atomic scale simulations at finite temperature are an ideal approach to study the thermodynamic properties of magnetic transition metals. However, the development of interatomic potentials explicitly taking into account magnetic variables…

We derive a simple system of equations to describe the magnetization relaxation of a molecular spin in weak interaction with a thermal bath for the whole temperature domain. Using this for the intermediate temperature domain where the…

Materials Science · Physics 2022-12-27 Le Tuan Anh Ho , Liviu Ungur , Liviu F. Chibotaru

Thermally assisted magnetic writing is an important technology utilizing temperature dependent magnetic properties to enable orientation of a magnetic data storage medium. Using an atomistic spin model we study non-equilibrium field cooled…

Mesoscale and Nanoscale Physics · Physics 2014-09-26 R. F. L. Evans , W. J. Fan

We introduce a temperature-dependent parameterization in the modified embedded-atom method and combine it with molecular dynamics to simulate the diverse physical properties of the \delta - and \epsilon - phases of elemental plutonium. The…

Strongly Correlated Electrons · Physics 2015-06-15 Z. P. Yin , Xiaoyu Deng , K. Basu , Q. Yin , G. Kotliar

Temperature-dependent magnetic experiments like pump-probe measurements generated by a pulsed laser have become a crucial technique for switching the magnetization in the picosecond time scale. Apart from having practical implications on…

We provide a macroscopic theory and experimental results for magnetic resonances of antiferromagnetically-coupled ferrimagnets. Our theory, which interpolates the dynamics of antiferromagnets and ferromagnets smoothly, can describe…

A few $4d$ and $5d$ transition metal compounds with various electron fillings were recently found to exhibit magnetic susceptibilities $\chi$ and magnetic moments that deviate from the well-established Kotani model. This model has been…

Strongly Correlated Electrons · Physics 2024-08-05 Ying Li , Ram Seshadri , Stephen D. Wilson , Anthony K. Cheetham , Roser Valenti
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