相关论文: Calculation of magnetic anisotropy energy in SmCo5

We report magnetocrystalline anisotropy of pure and Fe/Si substituted SmCo5. The calculations were performed using the advanced density functional theory (DFT) including onsite electron-electron correlation and spin orbit coupling. Si…

Due to its strong magnetocrystalline anisotropy, FePt L1$\mathrm{_0}$ phase is considered as a promising magnetic recording media material. Although the magnetic properties of this phase have already been analyzed many times using density…

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…

Fe$_5$SiB$_2$ has been synthesized and magnetic measurements have been carried out, revealing that M$_{\text{sat}}$ = 0.92 MA/m at T = 300 K. The M vs T curve shows a broad peak around T = 160 K. The anisotropy constant, K$_1$, estimated at…

The Fe$_5$PB$_2$ compound offers tunable magnetic properties via the possibility of various combinations of substitutions on the Fe and P-sites. Here, we present a combined computational and experimental study of the magnetic properties of…

The intermediate valence of Ce in CeCo$_5$ challenges standard density functional theory (DFT) and static DFT+$U$ approaches, which fail to capture its magnetic properties. By combining DFT+$U$ with exact diagonalization of the Anderson…

First-principles calculations are used to gauge different levels of approximation to calculate the magnetocrystalline anisotropy energies (MAE) of five $L1_0$ FeMe alloys (Me=Co, Cu, Pd, Pt, Au). We find that a second-order perturbation…

We present a first-principles study of the large magneto-crystalline anisotropy in the intercalated di-chalcogenide material \ce{Fe_{0.25}TaS_2}, investigated with the DFT+U approach. We verify a uniaxial magnetocrystalline anisotropy…

The new challenges posed by the need of finding strong rare-earth free magnets demand methods that can predict magnetization and magnetocrystalline anisotropy energy (MAE). We argue that correlated electron effects, which are normally…

In recent years, intrinsic two-dimensional (2D) magnetism aroused great interest because of its potential application in spintronic devices. However, low Curie temperature (\emph{T}$_c$) and magnetic anisotropy energy (MAE) limit its…

We present an investigation on the large magnetic anisotropy of Fe_{2}P, based on {\it Ab Initio} density-functional theory calculations, with a full potential linear muffin-tin orbital (FP-LMTO) basis. We obtain an uniaxial magnetic…

The magnetic properties of Fe$_2$Ta and Fe$_2$W in the hexagonal Laves phase are computed using density functional theory in the generalised gradient approximation, with the full potential linearised augmented plane wave method. The alloy…

A grand challenge in materials research is identifying the relationship between composition and performance. Herein, we explore this relationship for magnetic properties, specifically magnetic saturation (M$_s$) and magnetic anisotropy…

We develop the phenomenological theory for uniaxial ferromagnets, and derive explicit formulae for their magnetostriction (MS) and magnetic anisotropy energy (MAE) generated by the magnetoelastic (ME) effects. An analysis of 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…

Density functional theory (DFT) has long struggled to treat light rare-earth magnetism. We show that this difficulty arises from an overestimate of the $4f$ charge asphericity, and thus the magnetic anisotropy energy, due to the inadequacy…

Theoretical studies on M$_{13}$ (M = Fe, Co, Ni) and M$_{13}$Pt$_n$ (for $n$ = 3, 4, 5, 20) clusters including the spin-orbit coupling are done using density functional theory. The magnetic anisotropy energy (MAE) along with the spin and…

Inspired by recent advancements in the field of single-atom magnets, particularly those involving rare-earth (RE) elements, we present a theoretical exploration employing DFT+$U$ calculations to investigate the magnetic properties of…

Magnetocrystalline anisotropy is a fundamental property of magnetic materials that determines the dynamics of magnetic precession, the frequency of spin waves, the thermal stability of magnetic domains, and the efficiency of spintronic…

Iron-based layered systems are of great interest because of their ability to tune effective material parameters such as magnetic anisotropy energy (MAE). The influence of the crystallographic structure of Fe, its thickness, and the presence…