相关论文: Computational Optimization of MnBi to Enhance Ener…
We have studied the hard magnetic properties of the low-temperature phase of MnBi with first principle calculations based on the density functional theory. The calculations have been carried out on two distinct unit cell configurations MnBi…
The article addresses the possibility of alloy elements in MnBi which may modify the thermodynamic stability of the NiAs-type structure without significantly degrading the magnetic properties. The addition of small amounts of Rh and Mn…
Electronic structure calculations are used to examine the magnetic properties of Fe$_2$P-based alloys and the mechanisms through which the Curie temperature and magnetocrystalline anisotropy can be optimized for specific applications. It is…
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…
We present a systematic study of the magnetic properties of L1$_0$ binary alloys FeNi, CoNi, MnAl and MnGa via two different density functional theory approaches. Our calculations show large magnetocrystalline anisotropies in the order…
Due to the resource criticality of rare-earths (RE), an alternative to the well-known Nd$_2$Fe$_{14}$B magnets with a lower amount of critical elements is required. In this work, density functional theory (DFT) calculations to investigate…
Bulk composites using powder blends of Mn and Bi with equal atomic ratios are consolidated and severely deformed by high-pressure torsion (HPT). Subsequent annealing treatments lead to the formation of the ferromagnetic and rare-earth free…
We study the structural and magnetic properties of the MnBi inter-metallic compound. The LTP (Low Temperature Phase) MnBi compound is successfully synthesized in single step by vacuum encapsulation technique and rapid quenching from phase…
Magnetic refrigeration presents an energy-efficient and environmentally benign alternative to traditional vapour-compression cooling technologies. It relies on the magnetocaloric effect, in which the temperature of a magnetic material…
Low-temperature MnBi (hexagonal NiAs phase) exhibits anomalies in the lattice constants (a, c) and bulk elastic modulus (B) below 100 K, spin reorientation and magnetic susceptibility maximum near 90 K, and, importantly for high-temperature…
A novel strategy of stacking binary magnets to enhance the magneto crystalline anisotropy is explored. This strategy is used in the search for hard magnets by studying FePt/MnGa and FePt/MnAl stacks. The choice of these binaries is…
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…
Using a first-principles fully relativistic scheme based on ultrasoft pseudopotentials and density functional perturbation theory, we study the magnetocrystalline anisotropy free energy of the ferromagnetic binary compound MnBi. We find…
Based on high-throughput density functional theory calculations, we performed screening for stable magnetic MAB compounds and predicted potential strong magnets for permanent magnet and magnetocaloric applications. The thermodynamical,…
We demonstrate by means of fully relativistic first principles calculations that, by substitution of Fe by Cr, Mn, Co, Ni or Cu in FePt-L10 bulk alloys, with fixed Pt content, it is possible to tune the magnetocrystalline anisotropy energy…
The half-metallic half-Heusler alloy NiMnSb is a promising candidate for applications in spintronic devices due to its low magnetic damping and its rich anisotropies. Here we use ferromagnetic resonance (FMR) measurements and calculations…
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…
Substantial amounts of the transition metals Mn, Fe, Co, and Ni can be substituted for Li in single crystalline Li$_2$(Li$_{1-x}T_x$)N. Isothermal and temperature-dependent magnetization measurements reveal local magnetic moments with…
An integrated data-driven approach combined with a high-throughput framework based on first-principles calculations was used to discover novel rare-earth-free permanent magnets, focusing on binary alloys. Compounds were screened…
We describe an integrated modelling approach to accelerate the search for novel, single-phase, multicomponent materials with high magnetocrystalline anisotropy (MCA). For a given system we predict the nature of atomic ordering, its…