Related papers: Ab Initio Exchange Interactions and Magnetic Prope…
The Heusler compounds Mn$_2$TiZ (Z = Al, Ga, In, Si, Ge, Sn, P, As, Sb) are of large interest due to their potential ferrimagnetic properties and high spin polarization. Here, we present calculations of the structural and magnetic…
Neutron diffraction experiments on TmTe at pressures up to 7 GPa are reported. The semiconductor-to-metal transition occurring at 2 GPa in this compound is accompanied by the appearance of strong ferromagnetic exchange interactions…
Rutile CrO$_2$ is an important half-metallic ferromagnetic material, which is also widely used in magnetic recording. In an attempt to find the conditions, which lead to the increase the Curie temperature ($T_{\rm C}$), we study…
We report the parameter-free, density functional theory calculations of interatomic exchange interactions and Curie temperatures of half-metallic ferrimagnetic full Heusler alloys Mn2VZ (Z=Al, Ge). To calculate the interatomic exchange…
The discoveries of two-dimensional ferromagnetism and magnetic semiconductors highly enrich the magnetic material family for constructing spin-based electronic devices but with an acknowledged challenge that the Curie temperature (Tc) is…
We study the exchange interactions in half-metallic Heusler alloys using first-principles calculations in conjunction with the frozen-magnon approximation. The Curie temperature is estimated within both mean-field (MF) and…
We calculate intersite magnetic couplings for Sm$_2$Fe$_{17}$, Nd$_2$Fe$_{14}$ and Nd$_2$Fe$_{14}$X (X = B, C, N, O, F) using Liechtenstein's formula on the basis of first-principles calculation, and analyze them to investigate the Curie…
The highest antiferromagnetic (AFM) temperature in Ce based compounds has been reported for CeScGe with Tn=47K, but its local or itinerant nature was not deeply investigated yet. In order to shed more light into this unusually high ordering…
The layers of a high-temperature novel GaAs:Fe diluted magnetic semiconductor (DMS) with an average Fe content up to 20 at. % were grown on (001) i-GaAs substrates using a pulsed laser deposition in a vacuum. The transmission electron…
We investigate the effect of chemical disorder on the magnetic exchange couplings and the Curie temperature ($T_{\text{c}}$) in L1$_0$-ordered FeNi using first-principles-based calculations. We use supercells to model chemical disorder, to…
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…
We report on a comprehensive combined experimental and theoretical study of Curie temperature trends in (Ga,Mn)As ferromagnetic semiconductors. Broad agreement between theoretical expectations and measured data allows us to conclude that…
We present the results of paramagnetic LDA band structure calculations: band dispersions, densities of states and Fermi surfaces, for the new iron based high-temperature superconductor LiOHFeSe. Main structural motif providing bands in the…
We present all-electrical operation of a Fe$_x$Cr$_{1-x}$-based Curie switch at room temperature. More specifically, we study the current-induced thermally-driven transition from ferromagnetic to antiferromagnetic…
In this paper we report comprehensive experimental and theoretical investigation of magnetic and electronic properties of the intermetallic compounds Pr2Fe17 and Gd2Fe17. For the first time electronic structure of these two systems was…
Employing first-principles electronic structure calculations in conjunction with the frozen-magnon method we study the effective exchange interactions and spin waves in local moment ferromagnets. As prototypes we have chosen three…
We report on the synthesis and physical properties of the new ternary intermetallic Ce$_2$Rh$_2$Ga. Its formation and dimorphism have been investigated by powder and single crystal X-ray diffractometry, as well as by differential thermal…
We present calculations of the exchange interactions and Curie temperatures in Cr-based pnictides and chalcogenides of the form CrX with X=As, Sb, S, Se and Te, and the mixed alloys CrAs$_{50}$X$_{50}$ with X=Sb, S, Se, and Te. The…
Accurately predicting the Curie temperature ($T_c$) of ferroelectrics from first principles remains a major challenge, as theoretical estimates often fall significantly below experimental values. In this work, we investigate the origin of…
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…