相关论文: Designing magnetism in Fe-based Heusler alloys: a …
We studied the structural and magnetic properties of the solid solution Fe$_{1-x}$Ni$_{x}$B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray…
With the rapid development of artificial intelligence, the combination of material database and machine learning has driven the progress of material informatics. Because aluminum alloy is widely used in many fields, so it is significant to…
Quaternary Heusler alloys Co$_2$Cr$_{1-x}$Fe$_{x}$Al with varying Cr to Fe ratio $x$ were investigated experimentally and theoretically. The electronic structure and spectroscopic properties were calculated using the full relativistic…
Magnetic moments near zigzag edges in graphene allow complex nanostructures with customised spin properties to be realised. However, computational costs restrict theoretical investigations to small or perfectly periodic structures. Here we…
Metal-organic frameworks (MOFs) are an incredibly diverse group of highly porous hybrid materials, which are interesting for a wide range of possible applications. For a reliable description of many of their properties accurate…
Density functional based simulations are employed to explore magnetoelectric effects in iron-based oxides, showing a unique layered structure. We theoretically predict CaFeO2 to be a promising magnetoelectric, showing…
Ru$_{2-x}$Fe$_x$CrSi ( 0 $<$ x $<$1) system is theoretically predicted to be one of the very few known examples of robust half-metallic ferromagnet with 100\% spin polarization. Since Cr is considered to be the main contributor to…
First principles studies were performed in order to find out the possibility of inducing half-metallicity in Heusler Compound CoFeMnSb, by means of alloying it with 3d-transition metal elements. Proper alloying element is selected through…
Two-dimensional (2D) magnetic materials are of current great interest for their promising applications in spintronics. Strong magnetic coupling and anisotropy are both highly desirable for the achievement of a high temperature magnetic…
The magnetization distribution, its energetic characterization by the interlayer coupling constants and lattice dynamics of (001)-oriented Fe/Pt multilayers are investigated using density functional theory combined with the direct method to…
We present a comprehensive investigation of structural, magnetic and transport properties of Ni$_2$FeAl Heusler alloy nanoparticles (NPs) synthesized via template-less chemical route. The NPs exhibit high saturation magnetization of 3.02…
The authors developed a new analysis approach for evaluation of atomic ordering in full-Heusler alloys, which is extension of the commonly used Webster model. Our model can give accurate physical formalism for the degree of atomic ordering…
In this article, we investigated the effect of Cr substitution in place of Fe on the structural, magnetic and transport properties of $\mathrm{Co_2FeSi}$ alloy. A comprehensive structural analysis is done using X-ray diffraction (XRD) and…
We present the results of a muon-spin relaxation (muSR) investigation into magnetic ordering in several families of layered quasi-two-dimensional molecular antiferromagnets based on transition metal ions such as S=1/2 Cu2+ bridged with…
Type, degree and evolution of structural order are important aspects for understanding and controlling the properties of highly spin polarized Heusler compounds, in particular with respect to the optimal film growth procedure. In this work,…
The electronic and magnetic properties of Ti\raisebox{-.2ex}{\scriptsize 2}CoSi Heusler compound are investigated using density functional calculations. The optimized lattice constant is found to be 6.030 A. The compound is a half-metallic…
The ferromagnetic Heusler alloy $Ni_2MnGa$ had been of major interest in the past few years because of its magnetic properties which can be easily tuned. The $Ni_2MnGa$ Heusler alloys are intermetallic alloy with $L2_1$ structure. Here we…
Magnetic cooling based on the magnetocaloric effect is a promising solid-state refrigeration technology for a wide range of applications in different temperature ranges. Previous studies have mostly focused on near room temperature (300 K)…
This work reports on first principles calculations of the electronic and magnetic structure of tetragonal Heusler compounds with the composition Rh$_2$Fe$_{x}$Co$_{1-x}$Sb ($0\leq x\leq1$). It is found that the magnetic moments increase…
New hard magnetic materials with zero or low rare earth content are in demand due to the high prices of the rare earth metals. Among the candidates for such materials, we consider MnB, FeB and their alloys, because previous experiments…