Related papers: Local force method for the ab initio tight-binding…
The temperature scales of screening of local magnetic and orbital moments are important characteristics of strongly correlated substances. In a recent paper X. Deng et al. using dynamic mean-field theory (DMFT) have identified temperature…
CrI$_{3}$ is considered to be a promising candidate for spintronic devices and data storage. We derived the Heisenberg Hamiltonian for CrI$_{3}$ from density functional calculations using the Liechtenstein formula. Moreover, the…
We study the out of equilibrium steady state properties of the Bose-Fermi-Kondo model, describing a local magnetic moment coupled to two ferromagnetic leads that support bosonic (magnons) and fermionic (Stoner continuum electrons) low…
We present a method to correct the magnetic properties of itinerant systems in local spin density approximation (LSDA) and we apply it to the ferromagnetic-paramagnetic transition under pressure in a typical itinerant system, Ni$_{3}$Al. We…
We present an efficient method for simulating Coulomb systems confined by metal electrodes. The approach relies on Green functions techniques to obtain the electrostatic potential for an infinite periodically replicated system. This avoids…
We study the charge and spin-dependent thermoelectric response of a ferromagnetic helical system irradiated by arbitrarily polarized light, using a tight-binding framework and the Floquet-Bloch formalism. Transport properties for individual…
We propose a theory for thermal Hall transport mediated by magnons to address the impact of their damping resulting from magnon-magnon interactions in insulating magnets. This phenomenon is anticipated to be particularly significant in…
This work is motivated by the need for large-scale simulations to extract physical information on the iron-chromium system that is a binary model alloy for ferritic steels used or proposed in many nuclear applications. From first-principles…
We revise critically existing approaches to evaluation of thermodynamic potentials within the Green's function calculations at finite electronic temperatures. We focus on the entropy and show that usual technical problems related to the…
We study a spin system with both mixed even-spin Sherrington-Kirkpatrick (SK) couplings and Curie-Weiss (CW) interaction. Our main results are: (i) The thermodynamic limit of the free energy is given by a variational formula involving the…
We study the specific dependence of the periodic Anderson Model (PAM) in the limit of $U=\infty$ employing the X-boson treatment in two fifferent regimes of the PAM: the heavy fermion Kondo (HF-K) and the heavy fermion local magnetic regime…
A systematic study of the microscopic and thermodynamical properties of pure neutron matter at finite temperature within the Self-Consistent Green's Function approach is performed. The model dependence of these results is analyzed by both…
Using the Swendsen and Wang algorithm, high accuracy Monte Carlo simulations were performed to study the concentration dependence of the Curie temperature in binary, ferromagnetic Ising systems on the simple-cubic lattice. Our results are…
At low temperatures $T$ where $1/T=\beta\gg1$ the na\"ive implementation of determinant quantum Monte Carlo (DQMC) methods suffers from loss of precision and numerical instabilities when evaluating the fermion determinant. This instability…
On the basis of the Schwinger-Keldysh formalism, we have closely investigated the temperature dependence of quantum spin pumping by electron spin resonance. We have clarified that three-magnon splittings excite non-zero modes of magnons and…
We develop a theory for spin transport in magnetic metals that treats the contribution of magnons and electrons on equal footing. As an application we consider thermally-driven spin injection across an interface between a magnetic metal and…
We study computational behavior of a mesoscopic model describing temperature/external magnetic field-driven evolution of magnetization. Due to nonconvex anisotropy energy describing magnetic properties of a body, magnetization can develop…
An approach to account for the effect of thermal lattice vibrations when calculating exchange coupling parameters is presented on the basis of the KKR (Korringa-Kohn-Rostoker) Green function method making use of the alloy analogy model.…
We report time-resolved Kerr effect measurements of magnetization dynamics in ferromagnetic SrRuO3. We observe that the demagnetization time slows substantially at temperatures within 15K of the Curie temperature, which is ~ 150K. We…
We present a novel approach to calculate the effective exchange interaction parameters based on the realistic electronic structure of correlated magnetic crystals in local approach with the frequency dependent self energy. The analog of…