Related papers: Spin-lattice interaction parameters from first pri…
Relativistic correction to the Coulomb interaction is considered for strongly correlated electron orbitals. The atomic representation of the Coulomb-Breit interaction and its physical origin are clarified, to generalize a concept of the…
Spin models like the Heisenberg Hamiltonian effectively describe the interactions of open-shell transition-metal ions on a lattice and can account for various properties of magnetic solids and molecules. Numerical methods are usually…
The coupled cluster method (CCM) is applied to the spin-one anisotropic Heisenberg antiferromagnet (HAF) on the square lattice at zero temperature using a new high-order CCM ground-state formalism for general quantum spin number ($s \ge…
We developed a method which performs the coupled adiabatic spin and lattice dynamics based on the tight-binding electronic structure model, where the intrinsic magnetic field and ionic forces are calculated from the converged…
We consider lambda and anisotropic deformations of the SU(2) principal chiral model and show how they can be quantized in the Hamiltonian formalism on a lattice as a suitable spin chain. The spin chain is related to the higher spin XXZ…
We show that atoms in tilted optical superlattices provide a platform for exploring coupled spin chains of forms that are not present in other systems. In particular, using a period-2 superlattice in 1D, we show that coupled Ising spin…
We present expressions for the matrix elements of the spin--spin operator $\vec S_{\rm n}\cdot\vec S_{\rm p}$ in a variety of coupling schemes. These results are then applied to calculate the expectation value $\langle\vec S_{\rm…
The subject of this study is spin transport through a molecular orbital connected to two leads, and coupled via exchange interaction with a precessing anisotropic molecular spin in a constant magnetic field. The inelastic spin-flip…
We discuss recently introduced numerical linked-cluster (NLC) algorithms that allow one to obtain temperature-dependent properties of quantum lattice models, in the thermodynamic limit, from exact diagonalization of finite clusters. We…
Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…
Mott insulator plateaus in optical lattices are a versatile platform to study spin physics. Using sites occupied by two bosons with an internal degree of freedom, we realize a uniaxial single-ion anisotropy term proportional to $(S^z)^2$,…
We study statistical properties of 3D classical spin glass layer of certain width and infinite length. The 3D spin glass is represented as an ensemble of disordered 1D spatial spin-chains (SSC) where interactions are random between…
Keeping in mind the experimental results that indicate local lattice distortions, charge and spin orderings, we have developed a phenomenological approach which allows us to describe the electronic phase diagram of cuprates and related…
Standard one-carrier kinetic models for thermoluminescence (TL) relate to the simple trap model (STM) and the model of localized transitions (LT). This paper presents a review of TL properties in various spatially correlated systems (SCS)…
In this work, we use the local spin Chern marker (LSCM) recently introduced by Ba\`{u} and Marrazzo [Phys. Rev. B 110, 054203 (2024)] to analyze the topology of the ground-state electronic wave functions in a finite honeycomb lattice flake…
Spectroscopic measurements with low-temperature scanning tunneling microscopes have been used very successfully for studying not only individual atomic or molecular spins on surfaces but also complexly designed coupled systems. The symmetry…
We study the Kondo lattice Shastry-Sutherland model with additional Dzyaloshinskii-Moriya(DM) interactions, exploring the possible magnetic phases in its multi-dimensional parameter space. Treating the local moments as classical spins and…
We present a symmetry-adapted perturbation theory (SAPT) for the interaction of two high-spin open-shell molecules (described by their restricted open-shell Hartree-Fock determinants) resulting in low-spin states of the complex. The…
The new definition of the energy dependence for the level density parameter including collective effects depends strongly on the semi-classical approach. For this method, defining an accurate single-particle potential is of great…
The results of calculations of nuclear magnetic resonance (NMR) parameters for the lead halides is reported in this paper. The results are obtained by using four-component methods. The use of the nonrelativistic L\'evy-Leblond Hamiltonian…