相关论文: Heusler compounds -- how to tune the magnetocrysta…
On the basis of the density functional calculations in combination with the supercell approach, we report on a complete study of the influences of atomic arrangement and Ni substitution for Al on the ground state structural and magnetic…
With a view to the design of hard magnets without rare earths we explore the possibility of large magnetocrystalline anisotropy energies in Heusler compounds that are unstable with respect to a tetragonal distortion. We consider the Heusler…
On the basis of density functional calculations, we report on a comprehensive study of the influences of atomic arrangement and Ni substitution for Al on the ground state structural and magnetic properties for Fe$_2$Ni$_{1+x}$Al$_{1-x}$…
The electronic structure, magnetic properties and phase formation of hexagonal ferromagnetic Fe$_{3}$Sn-based alloys have been studied from first principles and by experiment. The pristine Fe$_{3}$Sn compound is known to fulfill all the…
Controlling magnetic anisotropy energy (MAE) in two-dimensional (2D) ferromagnetic materials is crucial for designing novel spintronic devices. Using first-principles calculations, we systematically investigate the magnetic properties of…
We present a comprehensive investigation of the influence of Ru concentration on the lattice parameters, atomic magnetic moments, electronic structure, and magnetic anisotropy energy of the full Heusler L2$_1$-type Mn$_2$Ru$_{1-x_p}$Ga…
We complement our study on the doping and disorder in Co$_2$MnZ compounds [I. Galanakis \textit{et al.}, Appl. Phys. Lett. \textbf{89}, 042502 (2006) and K. \"Ozdo\~gan \textit{et al.}, Phys. Rev. B \textbf{74}, (2006)] to cover also the…
We theoretically investigate magnetic anisotropy in materials with non-critical elements to determine which symmetry conditions and atomic shell filling favor enhanced magnetic anisotropy. We study the magnetocrystalline anisotropies (MCA)…
We employ first-principles calculations to explore interstitial engineering as a strategy to tailor the hard magnetic properties of Fe2MnSn Heusler alloy, establishing its potential as a rare-earth-free permanent magnet. By introducing…
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…
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…
A systematic study of magnetocrystalline anisotropy is performed for R(La/Ce/Nd)2Fe14B tetragonal compound with the site substitution mechanism. Theoretical calculation suggests the 50% doping with Ce at 4f-site can lead to competitive…
The pursuit of high-performance, rare-earth-free magnetostrictive materials is crucial for advancing technologies in sensing, actuation, and microelectromechanical systems. Heusler alloys represent a promising, yet underexplored, class of…
The prediction of ultra-low magnetic damping in Co 2 MnZ Heusler half-metal thin-film magnets is explored in this study and the damping response is shown to be linked to the underlying electronic properties. By substituting the Z elements…
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…
By understanding the small easy axis magnetocrystalline anisotropy energy (MAE) of hexagonal Ce2Co17, an attempt has been made to improve anisotropy and consequently to obtain better characteristics for a high energy permanent magnet via…
We study the structural, electronic, and magnetic properties of Co$_2$ZAl compounds employing a pseudopotential electronic bandstructure method. The stability of the compounds is established through the formation and cohesive energy…
We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…
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…
Doped transition-metal dichalcogenides monolayers exhibit exciting magnetic properties for the benefit of two-dimensional spintronic devices. Using density functional theory (DFT) incorporating Hubbard-type of correction (DFT$+U$) to…