Related papers: Spin-lattice interaction parameters from first pri…
In this chapter we review the quantitative and qualitative aspects of describing the properties of magnetic solids on the basis of electronic Hamiltonian. We show that a spin Hamiltonian approach becomes consistent with an electronic…
Path-integral molecular dynamics simulations in the isothermal-isobaric (NPT) ensemble have been carried out to study the dependence of the lattice parameter of 3C-SiC upon isotope mass. This computational method allows a quantitative and…
The properties of quantum systems interacting with their environment, commonly called open quantum systems, can be strongly affected by this interaction. While this can lead to unwanted consequences, such as causing decoherence in qubits…
In this study, we explore the entanglement and correlation in two-nucleon systems using isospin formalism. With the help of Slater decomposition, we derive analytical expressions for various entanglement measures. Specifically, we analyse…
In this work, we generalize the local spin analysis of Clark and Davidson [J. Chem. Phys. 115(16), 7382 (2001)] for the partitioning of the expectation value of the molecular spin square operator, $\langle S^2 \rangle$, into atomic…
In spin-crossover materials, the volume of a molecule changes depending on whether it is in the high-spin (HS) or low-spin (LS) state. This change causes distortion of the lattice. Elastic interactions among these distortions play an…
The role played by interfaces in metallic multilayers is not only to change the momenta of incident electrons; their symmetry lowering also results in an enhancement of the effects of spin-orbit coupling, in particular the flipping of the…
Models which allow an explicit application to structurally modulated substances are reviewed within the frame of a symmetry-based approach starting from discrete lattice theory. Focus is set on models formulated in terms of local variables…
A parallel implementation of coupled spin-lattice dynamics in the LAMMPS molecular dynamics package is presented. The equations of motion for both spin only and coupled spin-lattice dynamics are first reviewed, including a detailed account…
The variations of short-range correlations (SRC) across nuclei can be quantified in an approximately model-independent fashion in terms of the so-called SRC scaling factors. We provide predictions for the SRC scaling factors for both bound…
We propose and implement a lattice scheme for coherently manipulating atomic spins. Using the vector light shift and a superlattice structure, we demonstrate experimentally the capability on parallel spin addressing in double-wells and…
Antiferromagnetic spin chains play an important role in condensed matter physics and statistical mechanics. Recently XXX spin chain was discussed in relation to the information theory. We consider here localizable entanglement, introduced…
Modeling blocking temperature in molecular magnets has been a long standing problem in the field of molecular magnetism. We investigate this problem using a kinetic Monte Carlo (kMC) approach on an assembly of 100,000 short molecular…
We demonstrate a bipartition technique using a super-lattice architecture to access correlations between alternating planes of a mesoscopic array of spin-3 chromium atoms trapped in a 3D optical lattice. Using this method, we observe that…
We introduce an integrable spin ladder model and study its exact solution, correlation functions, and entanglement properties. The model supports two particle types (corresponding to the even and odd sub-lattices), such that the scattering…
We present the results of a realistic global fit of the Lagrangian parameters of the Minimal Supersymmetric Standard Model to simulated data from ILC and LHC with realistic estimates of the observable uncertainties. Higher order radiative…
We investigate the signature of magnetic surface anisotropy in nanoparticles in their spin-flip neutron scattering cross section. Taking into account the isotropic exchange interaction, an external magnetic field, a uniaxial or cubic…
We show how mapping techniques inherent to $N^{2}$-dimensional discrete phase spaces can be used to treat a wide family of spin systems which exhibits squeezing and entanglement effects. This algebraic framework is then applied to the…
The coupled cluster method (CCM) is employed to very high orders of approximation to study the ground-state (GS) properties of the spin-$s$ Heisenberg antiferromagnet (with isotropic interactions, all of equal strength, between…
Modifying the conventional spin-wave theory in a novel manner based on the Wick decomposition, we present an elaborate thermodynamics of square-lattice quantum antiferromagnets. Our scheme is no longer accompanied by the notorious problem…