相关论文: Ab Initio Exchange Interactions and Magnetic Prope…

Here we perform $ab-initio$ study of Curie temperature $T_C$ under hydrostatic pressure for intermetallic compound GdFe$_2$. To calculate $T_C$ for GdFe$_2$ we applied mean-field solution of the Heisenberg model for several magnetic…

In the framework of the LSDA+U method electronic structure and magnetic properties of the intermetallic compound Gd2Fe17 for both rhombohedral and hexagonal phases have been calculated. On top of that, ab initio exchange interaction…

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…

Physics of Fe$_3$GaTe$_2$ having higher Curie temperature ($T_C$) than Fe$_3$GeTe$_2$ is explored theoretically in the framework of magnetic exchange interactions. Fe$_3$GaTe$_2$ and Fe$_3$GeTe$_2$ are isostructural, with Fe$_3$GaTe$_2$…

The interatomic exchange interactions and Curie temperatures in Ni-based full Heusler alloys Ni2MnX with X=Ga, In, Sn and Sb are studied within the framework of the density-functional theory. The calculation of the exchange parameters is…

We explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using an ab-initio electronic structure theory which includes disordered local moments and strong $f$-electron…

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…

Among several well-known transition metal-based compounds, the van der Waals (vdW) Fe3-xGeTe2 (FGT) magnet is a strong candidate for use in two-dimensional (2D) magnetic devices due to its strong perpendicular magnetic anisotropy, sizeable…

In this work we investigate Ising and classical Heisenberg models for two and three dimensional lattices in presence of diluted ferromagnetic dimers. For such models the Curie temperature as a function of ratio of intra-dimer exchange…

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…

We have studied selected rare earth doped and transition metal doped CeFe2 compounds by examining their structural, magnetic and magneto-thermal properties. With substitution of Ce by 5 and 10% Gd and 10% Ho, the Curie temperature can be…

Heterostructures of two-dimensional (2D) van der Waals (vdW) magnets and topological insulators (TI) are of substantial interest as candidate materials for efficient spin-torque switching, quantum anomalous Hall effect, and chiral spin…

We present a data set of calculated Curie temperatures for the main-phase compounds of rare-earth permanent magnets. We employ ab initio electronic structure calculations for the itinerant ferromagnetism and an effective spin model for the…

In the fundamental understanding of magnetic interactions between atoms in solids, the crystal lattice is one of the key parameters. As the effective tool for controlling the lattice using tensile stress is limited, there are only few…

The Ce$_2$Fe$_{17}$ intermetallic compound has been studied intensely for several decades; its low-temperature state is reported experimentally either as ferromagnetic or antiferromagnetic by different authors, with a measured ordering…

The prospects of half-metallic ferromagnetism being induced by the incorporation of C atoms into alkaline-earth-metal-oxides are investigated by the first principle calculation. The origin of the ferromagnetism is discussed through the…

High-temperature magnetic measurements have been carried out in hydrothermally synthesized greigite (Fe3S4). We show that the Curie temperature of greigite is significantly lower than that for its iron oxide counterpart Fe3O4. The lower TC…

The electronic structure and magnetic exchange interactions in pure and V-doped Fe16N2 are studied within the framework of density functional theory. The Curie temperatures were obtained with both mean field approximation (MFA) as well as…

The temperature dependence of magnetization and specific heat of the ferromagnetic compound DyFe2Zn20 has been measured in detail in various magnetic fields. We have observed anomalous magnetic behavior, i.e., a strong anisotropy at 2 K,…

Quadruple perovskites ACu$_3$Fe$_2$Re$_2$O$_{12}$ attract considerable interest due to their high Curie temperatures (up to $710$K), which strongly depend on the A-site cation. In this work, we employ first-principles calculations to…