Related papers: Experimental Exchange Interaction Dataset for Magn…
We present \texttt{ESpinS} (Esfahan Spin Simulation) package to evaluate the thermodynamic properties of spin systems described by a spin model Hamiltonian. In addition to the Heisenberg exchange term, the spin Hamiltonian can contain…
Inelastic neutron scattering (INS) is one powerful technique to study the low-energy single-spin dynamics of magnetic materials. A variety of quantum magnets show novel magnetic correlations such as quantum spin liquids. These novel…
In this report we review the method of explicit calculations of interatomic exchange interactions of magnetic materials. This involves exchange mechanisms normally referred to as Heisenberg exchange, Dzyaloshinskii-Moriya interaction and…
Magnetic diffuse scattering -- the broad magnetic scattering features observed in neutron-diffraction data above a material's magnetic ordering temperature -- provides a rich source of information about the material's magnetic Hamiltonian.…
The Q dependence of the inelastic neutron scattering (INS) intensity of transitions within the ground-state spin multiplet of single-molecule magnets (SMMs) is considered. For these transitions, the Q dependence is related to the spin…
Motivated by the recent inelastic neutron scattering (INS) measurements in the iron pnictides which show a strong anisotropy of spin excitations in directions perpendicular and parallel to the ordering wave-vector even above the magnetic…
Employing first principles electronic structure calculations in conjunction with the frozen-magnon method we calculate exchange interactions, spin-wave dispersion, and spin-wave stiffness constants in inverse-Heusler-based spin gapless…
The physical characterisation and understanding of molecular magnetic materials is one of the most important steps towards the integration of such systems in hybrid spintronic devices. Amongst the many characterisation techniques employed…
In this study, we use Hubbard-Corrected density functional theory (DFT+$U$) to derive spin model Hamiltonians consisting of Heisenberg exchange interactions up to the fourth nearest neighbors and bi-quadratic interactions. We map the…
Collective excitations in magnetic materials can be investigated by means of inelastic neutron scattering. We show that this experimental method gives access to the complete spectrum of magnetic fluctuations through the energy- and…
We have obtained new inelastic neutron scattering (INS) data for the molecular magnet Mn12-acetate which exhibit at least six magnetic peaks in the energy range 5-35 meV. These are compared with a microscopic Heisenberg model for the 12…
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…
We provide exact analytical expressions for the magnetic susceptibility function in the high temperature expansion for finite Heisenberg spin systems with an arbitrary coupling matrix, arbitrary single-spin quantum number, and arbitrary…
Inelastic neutron scattering technique is employed to investigate the paramagnetic spin dynamics in a single crystalline sample of the magnetocaloric compound MnFe$_4$Si$_3$. In the investigated temperature range, 1.033$\times T_{C}$ to…
To understand spin interactions in materials of the Cu$_2$Sb structure type, inelastic neutron scattering of Fe$_2$As single crystals was examined at different temperatures and incident neutron energies. The experimental phonon spectra…
We present a computational method to determine the exchange constants in isotropic spin models. The method uses the Hamiltonian and overlap matrices computed from density functional schemes that are based on nonorthogonal basis sets. We…
Accurate results are obtained for the low temperature magnetization versus magnetic field of Heisenberg spin rings consisting of an even number N of intrinsic spins s = 1/2, 1, 3/2, 2, 5/2, 3, 7/2 with nearest-neighbor antiferromagnetic…
We performed inelastic neutron scattering (INS) experiments to measure spin dynamics on a polycrystalline sample of a spin tube candidate CsCrF$_{4}$. The compound exhibits a successive phase transition from a paramagnetic phase through an…
Thermal neutron total scattering experiments of light and heavy water were reproduced using the CSNS in-house Monte Carlo thermal neutron transport code, Prompt, with a focus on the instrumental detector response and the accurate derivation…
We consider the extended Hubbard model and introduce a corresponding Heisenberg-like problem written in terms of spin operators. The derived formalism is reminiscent of Anderson's idea of the effective exchange interaction and takes into…