Related papers: Ab-initio study of the beta Fe2O3 phase
The magnetic structures and the magnetic phase transitions in the Mn-doped orthoferrite TbFeO$_3$ studied using neutron powder diffraction are reported. Magnetic phase transitions are identified at $T^\mathrm{Fe/Mn}_N \approx$ 295~K where a…
We report the structural and magnetic ground state properties of the monoclinic compound barium iridium oxide Ba$_4$Ir$_3$O$_{10}$ using a combination of resonant x-ray scattering, magnetometry, and thermodynamic techniques. Magnetic…
Heusler compounds are widely studied due to their variety of magnetic properties making them ideal candidates for spintronic and magnetoelectronic applications. V$_3$Al in its metastable D0$_3$-type Heusler structure is a prototype for a…
A comparative study of the effect of Fe and Ni doping on the bismuth based perovskite La0.6Bi0.4MnO3.1, a projected spintronics magnetic semiconductor has been carried out. The doped systems show an expressive change in magnetic ordering…
From first principles calculations we find that the nearest and next nearest neighbor superexchange interactions between Fe ions in LaOFeAs are large, antiferromagnetic (AF), and give rise to a frustrated magnetic ground state which…
The complex magnetic structures, spin-reorientation and associated exchange interactions have been investigate in Er$_{0.5}$Dy$_{0.5}$FeO$_3$ using bulk magnetization, neutron diffraction, specific heat measurements and density functional…
The search for novel magnetic quantum phases, phenomena and functional materials has been guided by relativistic magnetic-symmetry groups in coupled spin and real space from the dawn of the field in 1950s to the modern era of topological…
We studied the electrical transport on $\beta$-Fe$_{4+\delta}$Se$_{5}$ single-crystal nanowires, exhibiting $\sqrt{5}\times\sqrt{5}$ Fe-vacancy order and mixed valence of Fe. We observed a first-order metal-insulator transition of the…
CaCu$_3$Fe$_4$O$_{12}$ exhibits a temperature-induced transition from a ferrimagnetic-insulating phase, in which Fe appears charge disproportionated, as Fe$^{3+}$ and Fe$^{5+}$, to a paramagnetic-metallic phase at temperatures above 210 K,…
On the basis of the first-principles evolutionary crystal structure prediction of stable compounds in the Cu-F system, we predict two experimentally unknown stable phases -- Cu2F5 and CuF3. Cu2F5 comprises two interacting magnetic…
The magnetic properties of black phosphorene nanoribbons are investigated using static and dynamical mean-field theory. Besides confirming the existence of ferromagnetic/antiferromagnetic edge magnetism, our detailed calculations using…
The magnetic properties of Nd${}_2$Fe${}_{14}$B (NFB)/transition metal (TM = Fe, Co) multilayer systems are studied on the basis of first-principles density functional calculations. We optimize the model structure under a variety of…
The evolution between Fermi liquid and non-Fermi-liquid states in correlated electron systems has been a central subject in condensed matter physics because of the coupled intriguing magnetic and electronic states. An effective pathway to…
KAgF$_3$ is a quasi one-dimensional quantum antiferromagnet hosting a series of intriguing structural and magnetic transitions. Here we use powder neutron diffraction, $\mu$SR spectroscopy, and Density Functional Theory calculations to…
The conditions for the flux growth of new Mn-Ni oxyborates with the ludwigite structure are reported. Magnetic measurement data for the samples with nickel and manganese predominance are presented. Diamagnetic anomalies of the…
Detailed dc and ac magnetic properties of chemically synthesized Nd0.4Sr0.6MnO3 with different particle size (down to 27 nm) have been studied in details. We have found ferromagnetic state in the nanoparticles, whereas, the bulk…
Single crystals of EuNiGe$_3$ crystallizing in the non-centrosymmetric BaNiSn$_3$-type structure have been grown using In flux, enabling us to explore the anisotropic magnetic properties which was not possible with previously reported…
The magnetic phases of electron-doped infinite-layer Sr$_{1-x}$La$_x$CuO$_2$ are elucidated by first-principles density functional calculations. The antiferromagnetic parent state, metallic transition, as well as lattice evolution with…
The impurity induced antiferromagnetic ordering of the doped spin-Peierls magnet Cu(1-x)Mg(x)GeO(3) was studied by ESR technique. Crystals with the Mg concentration x<4% demonstrate a coexistence of paramagnetic and antiferromagnetic ESR…
We study the extended Hubbard model on a two-dimensional half-filled square lattice using the dynamical cluster approximation. We present results on the phase boundaries between the paramagnetic metallic (normal) state and the insulating…