Related papers: Impact of electron--spin coupling on exchange coup…
Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…
Motivated by the geometry of spins in the material CaCu$_2$O$_3$, we study a two-layer, spin-half Heisenberg model, with nearest-neighbor exchange couplings J and \alpha*J along the two axes in the plane and a coupling J_\perp perpendicular…
We use the coupled cluster method for infinite chains complemented by exact diagonalization of finite periodic chains to discuss the influence of a third-neighbor exchange J3 on the ground state of the spin-1/2 Heisenberg chain with…
We studied the critical behavior of the $J_{1}-J_{2}$ spin-{1/2} Ising model in the square lattice by considering $J_{1}$ fixed and $J_{2}$ as random interactions following discrete and continuous probability distribution functions. The…
Frustrated magnetic compounds, in particular low-dimensional, are topical research due to persistent uncover of novel nontrivial quantum states and potential applications. The problem of this field is that many important results are…
Single crystalline (Bi,Ca)MnO3 (74< %Ca <82) were studied with neutron scattering, electron diffraction and bulk magnetic measurement. We discovered dynamic ferromagnetic spin correlations at high temperatures, which are replaced by…
A well-known connection between the magnetic susceptibility and the effective exchange parameter is analyzed. It is shown that all current computational schemes use a long-wave approximation which is suitable only for localized moments…
Motivated by the recent observation of antiferromagnetic correlations in the paramagnetic phase of iron pnictides, we study the finite-temperature spin dynamics of a two-dimensional $J_1-J_2$ antiferromagnet. We consider the paramagnetic…
We present a technique to map an electronic model with local interactions (a generalized multi-orbital Hubbard model) onto an effective model of interacting classical spins, by requiring that the thermodynamic potentials associated to spin…
We determine the spin exchange coupling J between two electrons located in two vertically tunnel-coupled quantum dots, and its variation when magnetic (B) and electric (E) fields (both in-plane and perpendicular) are applied. We predict a…
Inelastic neutron scattering (INS) provides direct insights into microscopic magnetic interactions in crystalline materials, making it a valuable experimental technique in condensed matter physics and materials science. These interactions…
In this work we study the complex entanglement between spin interactions, electron correlation and Janh-Teller structural instabilities in the 5d$^1$ $J_{eff}=\frac{3}{2}$ spin-orbit coupled double perovskite $\rm Ba_2NaOsO_6$ using first…
Using exact diagonalization, Monte-Carlo, and mean-field techniques, characteristic temperature scales for ferromagnetic order are discussed for the Ising and the classical anisotropic Heisenberg model on finite lattices in one and two…
The influence of the spin-orbit coupling on the magnetic structure of deposited transition metal nanostructure systems has been studied by fully relativistic electronic structure calculations. The interplay of exchange coupling and magnetic…
We present extensive Monte Carlo simulations for a classical antiferromagnetic Heisenberg model with both nearest ($J_1$) and next-nearest ($J_2$) exchange couplings on the square lattice coupled to the lattice degrees of freedom. The…
The minimal model to describe many spin chain materials with ferroelectric properties is the Heisenberg model with ferromagnetic nearest neighbor coupling J1 and antiferromagnetic next-nearest neighbor coupling J2. Here we study the…
We present a detailed first principles study of Fe-pnictides with particular emphasis on competing magnetic interactions, structural phase transition, giant magneto-elastic coupling and its effect on phonons. The exchange interactions…
We consider the Kondo-Hubbard model with ferromagnetic exchange coupling $% J_{H}$, showing that it is an approximate effective model for late transition metal-O linear systems. We study the dependence of the charge and spin gaps…
We propose a method for the evaluation of magnetic exchange couplings based on noncollinear spin-density functional calculations. The method employs the second derivative of the total Kohn-Sham energy of a single reference state, in…
We study the effects of magneto-elastic coupling on the degenerate ground state of the antiferromagnetic Heisenberg model on regular triangle and tetrahedron clusters of spin-1/2. Both give very similar results. Static distortion lifts the…