相关论文: Exchange interactions from a nonorthogonal basis s…

We perform systematic first-principles calculations of the proximity exchange coupling, induced by cobalt (Co) and nickel (Ni) in graphene, via a few (up to three) layers of hexagonal boron nitride (hBN). We find that the induced spin…

We study the effect in geometrically frustrated antiferromagnets of weak, random variations in the strength of exchange interactions. Without disorder the simplest classical models for these systems have macroscopically degenerate ground…

We study indirect exchange interactions between localized spins of magnetic impurities in spin-valley coupled systems described with the Kane-Mele model. Our model captures the main ingredients of the energy bands of 1H transition metal…

We study the influence of ferromagnetic nonlocal exchange on correlated electrons in terms of a $SU(2)$-Hubbard-Heisenberg model and address the interplay of on-site interaction induced local moment formation and the competition of…

Recent experiments indicate room-temperature ferromagnetism in graphite-like materials. This paper offers multiple spin state analysis applied to asymmetric graphene molecule to find out mechanism of ferromagnetic nature. First principle…

A spin Hamiltonian, which characterizes interatomic interactions between spin moments, is highly valuable in predicting and comprehending the magnetic properties of materials. A deeper understanding of the microscopic origin of magnetic…

We derive a quantum spin Hamiltonian of the spin-1/2 zigzag chain realized in a rare earth ytterbium-based magnetic insulator, YbCuS2. This material undergoes a transition at 0.95K to an incommensurate magnetic phase with small moments,…

We present ab initio calculations of the bandstructure of graphene and of short zigzag graphene nanoribbons by the screened-exchange-LDA method (sX-LDA) within the framework of density functional theory (DFT). The inclusion of non-local…

We derive ab inito exchange parameters for general non-collinear magnetic configurations, in terms of a multiple scattering formalism. We show that the general exchange formula has an anisotropic-like term even in the absence of spin-orbit…

The high-temperature ferromagnet MnBi continues to receive attention as a candidate to replace rare-earth-containing permanent magnets in applications above room temperature. This is due to a high Curie temperature, large magnetic moments,…

We simulate the properties of magnons in erbium oxide, a noncollinear antiferromagnet, from an effective single-ion Hamiltonian, including exchange and long-range dipolar interactions. We parametrize the crystal field splitting of…

We derive a new microscopic spin Hamiltonian for Rashba-coupled double exchange metals. The Hamiltonian consists of anisotropic interactions of the Dzyaloshinskii-Moriya (DM) and Kitaev form, in addition to the standard isotropic term. We…

The correct interpretation of magnetic properties in the weak-exchange regime has remained a challenging task for several decades. In this regime, the effective exchange interaction between local spins is quite weak, of the same order of…

We present a methodology based on deformations of the unit cell that allows to compute the isotropic magnetoelastic constants, isotropic magnetostrictive coefficients and spontaneous volume magnetostriction associated to the exchange…

We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…

The symmetric (Heisenberg) exchange interaction is fundamental to magnetism and assumes critical importance in designing magnetic materials for novel emergent phenomena and device applications. However, quantifying exchange is extremely…

We developed a micromagnetic method for modeling magnetic systems with periodic boundary conditions along an arbitrary number of dimensions. The main feature is an adaptation of the Ewald summation technique for evaluation of long-range…

CrSBr is an air-stable 2D van der Waals semiconducting magnet with great technological promise, but its atomic-scale magnetic interactions -- crucial information for high-frequency switching -- are poorly understood. We present an…

We present a detailed analysis of the spin models with near-neighbors interactions constructed in our previous paper [Phys. Lett. B 605 (2005) 214] by a suitable generalization of the exchange operator formalism. We provide a complete…

We analytically calculate the nuclear-spin interactions of a single electron confined to a carbon nanotube or graphene quantum dot. While the conduction-band states in graphene are p-type, the accordant states in a carbon nanotube are…