Related papers: Exchange interactions and Curie temperatures in Mn…
We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose a simple formula for estimating the Curie temperature with…
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 here non-collinear magnetic configurations in the Heusler alloys Ni2MnGa and Ni2MnAl which are interesting in the context of the magnetic shape memory effect. The total energies for different spin spirals are calculated and the…
Electronic structures, exchange interaction mechanism between magnetic ions and Curie temperature of Vanadium - doped Nitrides (AlN, GaN, and InN) are studied within KKR-LSDA-CPA. It is found that the ferromagnetic super-exchange…
The local atomic environments and magnetic properties were investigated for a series of Co(1+x)Fe(2-x)Si (0<x<1) Heusler compounds. While the total magnetic moment in these compounds increases with the number of valance electrons, the…
We investigate the high temperature thermoelectric properties of Heusler alloys Fe2-xMnxCrAl (0<x<1). Substitution of 12.5% Mn at Fe-site (x = 0.25) causes a significant increase in high temperature resistivity (\r{ho}) and an enhancement…
Novel Ni-Co-Mn-Ti all-d-metal Heusler alloys are exciting due to large multicaloric effects combined with enhanced mechanical properties. An optimized heat treatment for a series of these compounds leads to very sharp phase transitions in…
Ferromagnetic solids acquire nontrivial magnetic and caloric properties when the temperature of the structural phase transition approaches the Curie point. Deciphering magneto-structural transitions, i.e. determining their characteristic…
An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach,…
We present systematic theoretical investigations to explore the microscopic mechanisms leading to the formation of antiferromagnetism in Ru2MnZ (Z= Sn,Sb,Ge,Si) full Heusler alloys. Our study is based on first-principles calculations of…
The influence of antisite disorder occupancies on the magnetic properties of the half-metallic Co$_2$MnSi compound was studied by experimental techniques and first-principles calculations. The neutron diffraction studies show almost…
Gd6FeBi2 is reported as the only one room-temperature magnet with a Curie temperature (Tc) of ca. 350 K among more than hundreds of compounds with its structural type, which makes it more attractive in potential applications. To reveal the…
Experimental investigations of diluted magnetic semiconductors indicate a strong relation between Curie temperature and conductivity. Both quantities depend non trivially on the concentration of magnetic impurities, the carrier density, and…
We consider two-band double exchange model and calculate the critical temperature in ferromagnetic regime (Curie temperature). The localized spins are represented in terms of the Schwinger-bosons, and two spin-singlet Fermion operators are…
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…
Using a density functional method with explicit account for strong Coulomb repulsion within the 4f shell, we calculate effective exchange parameters and the corresponding ordering temperatures of the (ferro)magnetic insulating Eu…
We report the structural, magnetic, and magnetocaloric properties of Co$_2$Cr$_{1-x}$Ti$_x$Al ($x=$ 0--0.5) Heusler alloys for spintronic and magnetic refrigerator applications. Room temperature X-ray diffraction and neutron diffraction…
We demonstrate the exchange coupling of a ferromagnetic semiconductor (Ga1-xMnxAs) with an overgrown antiferromagnet (MnO). Unlike most conventional exchange biased systems, the blocking temperature of the antiferromagnet (T_B = 48 +- 2 K)…
Intermetallic compounds R2Fe17 are perspective for applications as permanent magnets. Technologically these systems must have Curie temperature Tc much higher than room temperature and preferably have easy axis anisotropy. At the moment…
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…