Related papers: Benchmarking First-Principles Approaches for Extra…
Theoretical foundation and application of the generalized spin-fermion (sp-d) exchange lattice model to magnetic and diluted magnetic semiconductors are discussed. The capabilities of the model to describe spin quasi-particle spectra are…
We apply both a scalar field theory and a recently developed transfer-matrix method to study the stationary properties of metastability in a two-state model with weak, long-range interactions: the $N$$\times$$\infty$ quasi-one-dimensional…
Understanding the atomic structure of magnetite-carboxylic acid interfaces is crucial for tailoring nanocomposites involving this interface. We present a Monte Carlo (MC)-based method utilizing iron oxidation state exchange to model…
Hexagonal MnTe emerges as a critical component in designing magnetic quantum heterostructures, calling for a detailed study. After finding a suitable combination of exchange-correlation functional and corrections, our study within {\em ab…
We investigate the impact of mechanical strain, stacking order, and external electric fields on the magnetic interactions of a two-dimensional (2D) van der Waals (vdW) heterostructure in which a 2D ferromagnetic metallic Fe$_3$GeTe$_2$…
The development of new computing technologies has given a new stimulus in the study of multiferroics. The use of multiferroics allows the realization of competitive energy efficient scalable logic and storage devices. The low-power…
Fast spin manipulation in magnetic heterostructures, where magnetic interactions between different materials often define the functionality of devices, is a key issue in the development of ultrafast spintronics. Although recently developed…
The interface-induced magnetization damping of thin ferromagnetic films in contact with normal-metal layers is calculated from first principles for clean and disordered Fe/Au and Co/Cu interfaces. Interference effects arising from coherent…
Rate coefficients of the Arrhenius-Neel form are calculated for thermally activated magnetic moment reversal for dual layer exchange-coupled composite (ECC) media based on the Langer formalism and are applied to study the sweep rate…
The magnetic properties of Nd${}_2$Fe${}_{14}$B (NFB)/transition metal (TM = Fe, Co) multilayer systems are studied on the basis of first-principles density functional calculations. We optimize the model structure under a variety of…
The unjustifiable or wrong in the previous magnetism theories has been indicated in this paper. For a N electrons system with Heisenberg exchange integral, the correct exchange Hamilton should be of two terms, not only one as in the…
We propose a method for modeling the magnetic properties of nanomaterials with different structures. The method is based on the Ising model and the approximation of the random field interaction. It is shown that in this approximation, the…
Inelastic neutron scattering measurements demonstrate that the magnetic interactions in antiferromagnetic LaFeAsO are two-dimensional. Spin wave velocities within the Fe layer and the magnitude of the spin gap are similar to the…
We investigate electronic and magnetic structures of the Mn chains supported on the CuN surface using first-principle LSDA and LDA+U calculations. The isotropic exchange integrals and anisotropic Dzyaloshinskii-Moriya interactions between…
Perpendicularly magnetized CoFeB layers with ultra-thin non-magnetic insertion layers are very widely used as the electrodes in magnetic tunnel junctions for spin transfer magnetic random access memory devices. Exchange interactions play a…
Despite its great technological importance, the magnetoelectric (ME) couplings in \BF are barely understood. By using a first-principles approach, we uncover the {\it dynamic} ME couplings of the long-range spin-cycloid in BiFeO$_3$. Based…
The multislice method, which simulates the propagation of the incident electron wavefunction through a crystal, is a well-established method for analyzing the multiple scattering effects that an electron beam may undergo. The inclusion of…
A new computational scheme is presented based on a combination of the conjugate gradient and the Newton-Raphson method to self-consistently minimize the energy within spin-density functional theory, thus to identify the ground state…
In this work we present a model for the determination of the interaction energy for triplet and singlet states in atoms with incomplete filled shells. Our model includes the modification of the Coulomb's law by the interaction between the…
The leading electronic interactions governing the local physics of the CE phase of half-doped manganites are extracted from correlated ab initio calculations performed on an embedded cluster. The electronic structure of the low-energy…