Related papers: Magnetic ground state of supported monatomic Fe ch…
We illustrate how the systematic inclusion of multi-spin correlations of the quantum spin-lattice systems can be efficiently implemented within the framework of the coupled-cluster method by examining the ground-state properties of both the…
The computation of the ground states of spin-$F$ Bose-Einstein condensates (BECs) can be formulated as an energy minimization problem with two quadratic constraints. We discretize the energy functional and constraints using the Fourier…
Electronic structure calculations are used to analyze the electronic and magnetic properties in {K$_{2}$Fe$_{4+x}$Se$_{5}$}. Fe atoms can be divided into two distinct groups. The $x{=}0$ (parent) compound forms an insulating, collinear,…
Due to a ferromagnetic in-chain coupling between Co$^{3+}$ ions at trigonal sites, chains Co$_2$O$_6$ are considered as large rigid spin moments. The antiferromagnetic Ising model on the triangular lattice is applied to describe an…
We investigate the entanglement content of the ground state of a system characterized by effective elementary degrees of freedom with fractional statistics. To this end, we explicitly construct the ground state for a chain of $N$ spins with…
We study the spin mixing dynamics of ultracold spin-1 atoms in a weak non-uniform magnetic field with field gradient $G$, which can flip the spin from +1 to -1 so that the magnetization $m=\rho_{+}-\rho_{-}$ is not any more a constant. The…
The magnetic properties and electronic structure of the ground and excited states of two recently characterized endohedral metallo-fullerenes, [Gd$_2$@C$_{78}$]$^{-}$ (1) and [Gd$_2$@C$_{80}$]$^{-}$ (2), have been studied by theoretical…
We report a ground state with strongly coupled magnetic and charge density wave orders mediated via orbital ordering in the layered compound \tbt. In addition to the commensurate antiferromagnetic (AFM) and charge density wave (CDW) orders,…
We present an ab-initio-based effective interaction model (EIM) for the study of magnetism, thermodynamics, and their interplay in body-centered cubic Fe-Co alloys, with Co content from 0 to 70%. The model includes explicitly both spin and…
We present a numerical study of the magnetic structure of nanostructured iron fluoride, using the Monte-Carlo-Metropolis simulated annealing technique and a classical Heisenberg Hamiltonian with a superexchange angle dependence. The…
We use large scale quantum Monte Carlo simulations to study an extended version of the canonical Shastry-Sutherland model -- including additional interactions and exchange anisotropy -- over a wide range of interaction parameters and an…
A combined experimental, using X-ray Magnetic Circular Dichroism and theoretical investigation, using full-potential Korringa-Kohn-Rostoker (KKR) Green function method, is carried out to study the spin structure of small magnetic Cr…
By means of density functional theory, we investigate the magnetic ground state of edge-sharing CuO_2 spin-chains, as found in the (La,Ca,Sr)_14Cu_24O_41system, for instance. Our data rely on spin-polarized electronic structure calculations…
The properties of diluted Ga$_{1-x}$Mn$_x$As are calculated for a wide range of Mn concentrations within the local spin density approximation of density functional theory. M\"ulliken population analyses and orbital-resolved densities of…
Ground-state properties of layered nickelates are investigated based on the orbital-degenerate Hubbard model coupled with lattice distortions, by using umerical techniques. The N\'eel state composed of spin S=1 ions is confirmed in the…
With density functional theory, studied are the local magnetic moments in Fe-Al alloys depending on concentration and Fe nearest environment. At zero temperature, the system can be in different states: ferromagnetic, antiferromagnetic and…
One of the key factors behind the rapid evolution of molecular spintronics is the efficient realization of spin manipulation of organic molecules with a magnetic center. The spin state of such molecules may depend crucially on the…
We report on a theoretical study of the lifetime of the first excited state of spin chains made of an odd number of Fe atoms on Cu2N/Cu(100). Yan et al (Nat. Nanotech. 10, 40 (2015)) recently observed very long lifetimes in the case of Fe3…
Achieving long-range ferrimagnetic order in purely organic systems remains a major challenge in molecular magnetism. Here we report the synthesis and characterization of heterospin-coupling motifs, formed by covalently linking spin-1/2 and…
By means of the density matrix renormalization group (DMRG) method, the magnetic properties of the J-J-J$^{\prime}$ quantum Heisenberg chains with spin $S=1/2$, 1, 3/2 and 2 in the ground states are investigated in the presence of a…