Related papers: TB2J: a python package for computing magnetic inte…
Multi-center transition metal complexes (MCTMs) with magnetically interacting ions have been proposed as components for information processing devices and storage units. For any practical application of MCTMs as magnetic units, it is…
The influence of substitutional disorder on the magnetic properties of disordered Heisenberg binary spin systems with long-range exchange integrals is studied. The equation of motion for the magnon Green's function which is decoupled by the…
Long-range and anisotropic dipolar interactions profoundly modify the dynamics of particles hopping in a periodic lattice potential. We report the realization of a generalized t-J model with dipolar interactions using a system of ultracold…
Ruderman-Kittel-Kasuya-Yosida interaction even if their wave functions lack direct overlap. Theory predicts that spin-orbit scattering leads to a Dzyaloshinskii-Moriya type enhancement of this indirect exchange interaction, giving rise to…
The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an…
In the last decade, Python-powered physics simulations ecosystem has been growing steadily, allowing greater interoperability, and becoming an important tool in numerical exploration of physical phenomena, particularly in soft matter…
Magnetism - the spontaneous alignment of atomic moments in a material - is driven by quantum-mechanical `exchange' interactions which operate over atomic distances as a result of the fundamental symmetry of electrons. Currently, one of the…
We present the Tight-Binding Studio (TBStudio) software package for calculating tight-binding Hamiltonian from a set of Bloch energy bands obtained from first principle theories such as density functional theory, Hartree-Fock calculations…
A methodical derivation of RKKY interaction in framework of T=0 Green function method is given in great detail. The article is complimentary to standard textbooks on the physics of magnetism and condensed matter physics. It is shown that…
In magnetic multilayer systems, a large spin-orbit coupling at the interface between heavy metals and ferromagnets can lead to intriguing phenomena such as the perpendicular magnetic anisotropy, the spin Hall effect, the Rashba effect, and…
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…
BiFold calculates the density-dependent (DDM3Y$n$, BDM3Y$n$, CDM3Y$n$) or independent double folded potentials between two colliding spherical nuclei. It is written in a Python package form to give the ability to use the potentials directly…
Interfacial Dzyaloshinskii-Moriya interaction in ferromagnet/heavy metal bilayers is recently of considerable interest as it offers an efficient control of domain walls and the stabilization of magnetic skyrmions. However, its effect on the…
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…
The exchange interaction between two magnetic moments embedded in a host metal is fundamental to the description of the magnetic behavior of solids. In the standard spin-degenerate electron gas, it leads to the well known…
We compare three distinct computational approaches based on first-principles calculations within density functional theory to explore the magnetic exchange and the Dzyaloshinskii-Moriya interactions (DMI) of a Co monolayer on Pt(111),…
This Topical Review presents an overview of the recent experimental results on the quantitative determination of the magnetic exchange parameters in ultrathin magnetic films and multilayers, grown on different substrates. The experimental…
We report the observation of a Pt layer thickness dependence on the induced interfacial Dzyaloshinskii-Moriya interaction in ultra-thin Pt($d_{\text{Pt}}$)/CoFeB films. Taking advantage of the large spin-orbit coupling of the heavy metal,…
Besides moir\'e superlattice, twisting can also generate moir\'e magnetic exchange interactions (MMEIs) in van der Waals magnets. However, due to the extreme complexity and twist-angle-dependent sensitivity, all existing models fail to…
The results of spin-polarized density functional theory calculations find that band gap engineering can be achieved by site-specific interactions in a composite consisting of polyaniline and TiO2 nanoparticles. Interactions in the composite…