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Single crystal inelastic neutron scattering data contain rich information about the structure and dynamics of a material. Yet the challenge of matching sophisticated theoretical models with large data volumes is compounded by computational…

We investigate the far-from-equilibrium nature of magnetic anisotropy and exchange interactions between molecular magnets embedded in a tunnel junction. By mapping to an effective spin model, these magnetic interactions can be divided into…

Mesoscale and Nanoscale Physics · Physics 2015-01-08 Jonas Fransson , Jie Ren , Jian-Xin Zhu

Magnetoelasticity plays a crucial role in numerous magnetic phenomena, including magnetocalorics, magnon excitation via acoustic waves, and ultrafast demagnetization/Einstein-de Haas effect. Despite a long-standing discussion on…

In this communication we consider the doping dependence of the strong antiferromagnetic spin fluctuations in the cuprate superconductors. We investigate the effect of an incommensurate magnetic response, as recently observed in inelastic…

Superconductivity · Physics 2016-08-15 Dirk K. Morr , Jörg Schmalian , David Pines

The scenario of a metal-insulator transition driven by the onset of antiferromagnetic order in NaOsO$_3$ calls for a trustworthy derivation of the underlying effective spin Hamiltonian. To determine the latter we rely on {\it ab initio}…

Experimental data obtained with the perovskite compounds Pr$_{0.55}$Sr$_{0.45}$MnO$_{3}$ show that the magnetization decreases with increasing temperature $T$ and undergoes a very sharp phase transition to the paramagnetic phase. The sharp…

Materials Science · Physics 2024-01-12 Yethreb Essouda , Hung T. Diep , Mohamed Ellouze

We derive the microscopic spin Hamiltonian for rhombohedral CrI$_3$ using extensive first-principles density functional theory (DFT) calculations which incorporate spin-orbit coupling and Hubbard U. Our calculations indicate a dominant…

The symmetric (Heisenberg) exchange interaction is fundamental to magnetism and assumes critical importance in designing magnetic materials for novel emergent phenomena and device applications. However, quantifying exchange is extremely…

Using exact diagonalization, Monte-Carlo, and mean-field techniques, characteristic temperature scales for ferromagnetic order are discussed for the Ising and the classical anisotropic Heisenberg model on finite lattices in one and two…

Mesoscale and Nanoscale Physics · Physics 2011-04-12 E. Y. Vedmedenko , N. Mikuszeit , T. Stapelfeldt , R. Wieser , M. Potthoff , A. Lichtenstein , R. Wiesendanger

In this paper we report results for magnetic observables of finite spin clusters composed of S=1/2 ions. We consider clusters of two, three and four spins in distinct spatial arrangements, with isotropic Heisenberg interactions of various…

Strongly Correlated Electrons · Physics 2009-11-10 J. T. Haraldsen , T. Barnes , J. L. Musfeldt

We investigate the spin injection and the spin transport in paramagnetic insulators described by simple Heisenberg interactions using auxiliary particle methods. Some of these methods allow access to both paramagnetic states above magnetic…

Strongly Correlated Electrons · Physics 2016-02-23 Satoshi Okamoto

An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach,…

We report on spin atomistic calculations used to model static and dynamic magnetic properties of inhomogeneous ultrathin iron films. Active magnetic layers in next-generation spintronic devices are becoming so thin that they exhibit some…

We present calculations of magnetic exchange interactions and critical temperature T_c in Mn:GaAs, Cr:GaAs and Cr:GaN. The local spin density approximation is combined with a linear-response technique to map the magnetic energy onto a…

Materials Science · Physics 2009-11-10 J. L. Xu , M. van Schilfgaarde , G. D. Samolyuk

On the textbook example of an isolated antiferromagnetic Heisenberg dimer, we demonstrate that the magnetic form factor and the magnetic electron density distribution can be extracted from the momentum-dependence of the inelastic neutron…

We study spin diffusion and spin waves in paramagnetic quantum crystals (solid He-3, for example) by direct simulation of a square lattice of atoms interacting via a nearest-neighbor Heisenberg exchange Hamiltonian. Recently, Cowan and…

Statistical Mechanics · Physics 2007-05-23 R. Ragan , K. Grunwald , C. Glenz

The method for calculating the isotropic exchange interactions in the paramagnetic phase is proposed. It is based on the mapping of the high-temperature expansion of the spin-spin correlation function calculated for the Heisenberg model…

Strongly Correlated Electrons · Physics 2016-11-09 O. M. Sotnikov , V. V. Mazurenko

We study the exchange constants of MnV$_2$O$_4$ using magnetic force theorem and local spin density approximation of density functional theory supplemented with a correction due to on-site Hubbard interaction U. We obtain the exchanges for…

Materials Science · Physics 2013-08-13 R. Nanguneri , S. Y. Savrasov

We investigate the role of exchange bridges in molecular magnets. We explore their effects on the distribution of the valence electrons and their contribution to the exchange processes. The present study is focused on a spin-half dimer with…

Atomic and Molecular Clusters · Physics 2020-10-12 M. Georgiev , H. Chamati

Inelastic neutron scattering (INS) experiments have been performed on the Cu$_3$ triangular molecular nanomagnet using powder samples. In the medium resolution INS spectrum measured, there are two peaks at $\hbar\omega=0.5$ and 0.6 meV.…

Other Condensed Matter · Physics 2015-05-19 Kazuki Iida , Yiming Qiu , Taku J Sato