Related papers: Predicting the Curie temperature in substitutional…
We study the critical behavior of a quenched random-exchange Ising model with competing interactions on a bcc lattice. This model was introduced in the study of the magnetic behavior of Fe_{1-x}Ru_x alloys for ruthenium concentrations x=0%,…
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…
We study the dependence of magnetic interactions and Curie temperature in Ni(1+x)MnSb system on the Ni concentration within the framework of the density-functional theory. The calculation of the exchange parameters is based on the…
We report the effects of lattice dynamics on thermodynamic stability of binary $R_{1-x}$Fe$_x$ $(0<x<1)$ compounds ($R$: rare-earth elements, Y, Ce, Nd, Sm, and Dy) at finite temperature predicted by first-principles calculation based on…
We present a theory to model carrier mediated ferromagnetism in concentrated or diluted local moment systems. The electronic subsystem of the Kondo lattice model is described by a combined equation of motion / coherent potential…
Debye temperature, $\Theta_D$, of Fe-rich Fe$_{100-x}$Cr$_x$ disordered alloys with $0\le x \le 22.3$ was determined from the temperature dependence of the central shift of M\"ossbauer spectra recorded in the temperature range of 60 -- 300…
Half-metallicity (HM) offers great potential for engineering spintronic applications, yet only few magnetic materials present metallicity in just one spin channel. In addition, most HM systems become magnetically disordered at temperatures…
Tuning magnetic properties of magnetic topological materials is of interest to realize elusive physical phenomena such as quantum anomalous hall effect (QAHE) at higher temperatures and design topological spintronic devices. However,…
The magnetic properties of the compound Fe$_5$Si$_{1-x}$P$_{x}$B$_2$ have been studied, with a focus on the Curie temperature $T_\textrm{C}$, saturation magnetization $M_\textrm{S}$, and magnetocrystalline anisotropy. Field and temperature…
We compute the magnetocaloric effect (MCE) in the GdTX (T=Sc, Ti, Co, Fe; X=Si, Ge) compounds as a function of the temperature and the external magnetic field. To this end we use a density functional theory approach to calculate the…
The low temperature heat capacity C_{p} of Fe_{1-x}Ga_{x} alloys with large magnetostriction has been investigated. The data were analyzed in the standard way using electron ($\gamma T$) and phonon ($\beta T^{3}$) contributions. The Debye…
Heusler alloys have attracted interest in various fields of functional materials since their properties can quite easily be tuned by composition. Here, we have investigated the relatively new class of all-3d Heusler alloys in view of its…
In this work a simple concept was used for a systematic search for new materials with high spin polarization. It is based on two semi-empirical models. Firstly, the Slater-Pauling rule was used for estimation of the magnetic moment. This…
The phase stability of fcc and bcc magnetic binary Fe-Cr, Fe-Ni, Cr-Ni alloys and ternary Fe-Cr-Ni alloys is investigated using a combination of density functional theory (DFT), Cluster Expansion (CE) and Magnetic Cluster Expansion (MCE).…
We investigated the magnetic properties of Sendust (Fe-Al-Si) alloys not only at 0 K but also at finite-temperatures by means of the first-principles calculations assuming A2, B2, and DO3 structures. We confirmed that the itinerant…
A novel phenomenological framework for an efficient estimation of the thermo-electric properties at room temperature and elevated temperatures of body-centered cubic (BCC) transition metal concentrated alloys is proposed in this work. The…
High entropy alloys (HEAs) are promising magnetocaloric materials with tunable operating temperature conditions using compositional modifications. Here, we combine experiments and first principles based spin modelling to engineer…
Ni-Mn-based Heusler alloys, in particular all-d-metal Ni(-Co)-Mn-Ti, are highly promising materials for energy-efficient solid-state refrigeration as large multicaloric effects can be achieved across their magnetostructural martensitic…
A new disordered atom configuration in Fe2CrGa alloy has been created by ball-milling method. This leads to a significant enhancement of the magnetic moment up to 3.2~3.9 {\mu}B and an increase of Curie temperature by about 200 K, compared…
We employ interpretable explicit machine learning to analyze the material dependence of the magnetic transition temperature $T_c$ in ferromagnetic and ferrimagnetic Heusler compounds. For around 200 compounds, we consider both experimental…