相关论文: Ab-initio study of the electronic structure and ma…
Electronic structure and magnetic properties for iron-selenide KFe$_2$Se$_2$ are studied by first-principles calculations. The ground state is stripe-like antiferromagnetic with calculated 2.26 $\mu_B$ magnetic moment on Fe atoms; and the…
The electronic structure and magnetic properties of CrSb$_2$ have been investigated by ab-initio calculations with an emphasis on the role of the magnetic structure for the ground state. The influence of correlation effects has been…
We report on the magnetic properties of CsCo$_2$Se$_2$ with ThCr$_2$Si$_2$ structure, which we have characterized through a series of magnetization and neutron diffraction measurements. We find that CsCo$_2$Se2$_2$ undergoes a phase…
The magnetic structure of the edge sharing cuprate compound Li2CuO2 has been investigated by means of ab initio electronic structure calculations. The first and second neighbor in-chain magnetic interactions are calculated to be -142 K and…
We present a detailed analysis of the results of our numerical study of the crystal and electronic structure of the room temperature organometallic ferrimagnet of general composition V(TCNE)$_{x}$ with $% x\approx 2$. The results of the…
Neutron diffraction measurements on a high quality single crystal of CeAu2Ge2 reveal two new magnetic structures that coexist with commensurate long range antiferromagnetic order below the Neel temperature T_N ~ 14 K. The new magnetic…
With density functional theory, studied are the local magnetic moments in Fe-Al alloys depending on concentration and Fe nearest environment. At zero temperature, the system can be in different states: ferromagnetic, antiferromagnetic and…
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…
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…
The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…
X-ray diffraction experiments were performed on polycrystalline and single-crystal specimens of Ce$_{2}$Fe$_{17}$ at temperatures between 10 K and 300 K. Below $T_{\mathrm{t}}$ = 118$\pm$2 K, additional weak superstructure reflections were…
Rare-earth-based permanent-magnet materials rich in iron have relatively low ferromagnetic ordering temperatures. This is believed to be due to the presence of antiferromagnetic exchange interactions, besides the ferromagnetic interactions…
Ce$_{3}$Bi$_{4}$Au$_{3}$ crystallizes in the same non-centrosymmetric cubic structure as the prototypical Kondo insulator Ce$_{3}$Bi$_{4}$Pt$_{3}$. Here we report the physical properties of Ce$_{3}$Bi$_{4}$Au$_{3}$ single crystals using…
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…
In this work, we combined magnetization, pressure dependent electrical resistivity, heat-capacity, 63Cu Nuclear Magnetic Resonance (NMR) and X-ray resonant magnetic scattering experiments to investigate the physical properties of the…
The magnetic properties of ThCr_2Si_2-type single crystals ACo_2Se_2 (A = K, Rb and Cs) have been investigated by magnetic susceptibility and isothermal magnetization measurements at various temperatures. The ferromagnetic phase transition…
We here study electronic structure and magnetic properties of bcc Co$_{x}$Fe$_{1-x}$, Cr$_{x}$Fe$_{1-x}$ and Mn$_{x}$Fe$_{1-x}$ in their ferromagnetic phases using Augmented Space Recursion technique coupled with tight-binding linearized…
Neutron and synchrotron resonant X-ray magnetic scattering (RXMS) complemented by heat capacity and resistivity measurements reveal the evolution of the magnetic structures of Fe and Ce sublattices in single crystal CeFeAsO. The RXMS of…
The low-temperature behavior of Ce2RuZn4 has been investigated. Specific heat and magnetic susceptibility data reveal an antiferromagnetic transition at a Neel temperature of 2 K. Ce2RuZn4 is a static intermediate-valent compound with two…
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…