相关论文: Second-order Perturbation Formula for Magnetocryst…
Recent experimental developments in the iron pnictides have unambiguously demonstrated the existence of in-plane electronic anisotropy in the absence of the long-range magnetic order. Such anisotropy can arise from orbital ordering, which…
In the light of recent interesting experimental work on MgV$_2$O$_4$ we employ the density functional theory to investigate the crucial role played by different interaction parameters in deciding its electronic and magnetic properties. The…
Materials based on the Sm-Co system exhibit remarkable magnetic performance due to their high Curie temperature, large saturation magnetization, and strong magnetic anisotropy, which are the result of the electronic structure in Co and Sm…
The magnetic anisotropy energy defines the energy barrier that stabilizes a magnetic moment. Utilizing density functional theory based simulations and analytical formulations, we establish that this barrier is strongly modified by…
A quantum-mechanical description of the magnetic shape anisotropy, that is usually ascribed to the classical magnetic dipole-dipole interaction, has been developed. This is achieved by including the Breit-interaction, that can be seen as an…
The magnetocrystalline anisotropy energy $E_{anis}$ for a monolayer of Fe and Ni is determined using a fully convergent tight-binding calculation including $s$-$d$ hybridization. The spin-orbit interaction $\lambda_{so}$ is treated…
The magnetic and transport properties of La$_{0.5}$Sr$_{0.5}$CoO$_{3-\delta}$ film grown on a LaAlO$_3$ substrate by pulsed-laser deposition are studied. The properties are found to be influenced by a combined influence of the magnetic…
The development of new-generation permanent magnets is based on experimental efforts and innovative theoretical tools for modeling magnetic properties. Magnetocrystalline anisotropy energy (MAE) - one of the main intrinsic properties of…
On the basis of a first-principles, relativistic electronic structure theory of finite temperature metallic magnetism, we investigate the variation of magnetic anisotropy, K, with magnetisation, M, in metallic ferromagnets. We apply the…
We report the first example of a transition to long-range magnetic order in a purely dipolarly interacting molecular magnet. For the magnetic cluster compound Mn6O4Br4(Et2dbm)6, the anisotropy experienced by the total spin S=12 of each…
We show by extensive Monte Carlo simulations that we need a multi-spin interaction in addition to pairwise interactions in order to reproduce the temperature dependence of the experimental magnetization observed in the perovskite compound…
We present a second-order formulation of multi-reference algebraic diagrammatic construction theory [Sokolov, A. Yu. J. Chem. Phys. 2018, 149, 204113] for simulating photoelectron spectra of strongly correlated systems (MR-ADC(2)). The…
We have constructed an analytic formula to treat the perpendicular magnetic anisotropy energy in ferromagnetic metals with low symmetry, such as C4V and C3V. We find that the anisotropy energy is proportional to a part of the expectation…
We use first-principles-based calculations to investigate the interplay between chemical order and the magnetic properties of $L1_0$ FeNi. In particular, we investigate how deviations from perfect chemical order affect the energy difference…
Spin orbit torques (SOT) are used to manipulate magnetization of ferromagnets in heavy metal / ferromagnetic bilayers and thus are technologically relevant from magnetization switching perspective. This necessitates development of methods…
We critically reexamine the problem of interatomic exchange interactions, which describe the total energy change caused by infinitesimal rotations of spins near some equilibrium state. For the small variations, such interactions can be…
Magnons are viewed as local deviations from the ordered state. Usually, the spin magnetic moment of magnons is considered. In a 3D-confined structure of a magnetic insulator with magnetodipolar mode (MDM) oscillations, an orbital angular…
The binary manganese aluminium (MnAl) alloy with L$1_0$ crystal structure is a promising rare earth element-free permanent magnetic material because of its exceptional magnetic properties. However, experimentally synthesizing it in a stable…
Electrical manipulation of lattice, charge, and spin has been realized respectively by the piezoelectric effect, field-effect transistor, and electric field control of ferromagnetism, bringing about dramatic promotions both in fundamental…
We study the modification of the magnetocrystalline anisotropy (MCA) of Co slabs induced by several different conjugated molecular overlayers, i.e., benzene, cyclooctatetraene, naphthalene, pyrene and coronene. We perform first-principles…