Related papers: Competing rhombohedral and monoclinic crystal stru…
Precise magnetic structures of RMn2O5, with R= Y, Ho, Bi in the commensurate/ferroelectric regime, have been determined by single-crystal neutron diffraction. For each system, the integrated intensities of a large number of independent…
A ferroelectric monoclinic phase of space group $Cm$ ($M_A$ type) has been discovered in 0.65Pb(Mg$_{1/3}$Nb$_{2/3})O_3$-0.35PbTiO$_3$ by means of high resolution synchrotron X-ray diffraction. It appears at room temperature in a single…
The polar magnets A$_2$Mo$_3$O$_8$ (A=Fe, Mn, Co, and Ni) feature a bipartite structure, where the magnetic A$^{2+}$ ions occupy two different sites with octahedral and tetrahedral oxygen coordinations. This bipartite structure provides a…
The materials with spin-polarized electronic states have attracted a huge amount of interest due to their potential applications in spintronics. Based on first-principles calculations, we study the electronic characteristics of a series of…
We present results for the electronic and magnetic structure of Mn and Fe clusters on Nb(110) surface, focusing on building blocks of atomic chains as possible realizations of topological superconductivity. The magnetic ground states of the…
The behavior of identical particles interacting through the harmonic-repulsive pair potential has been studied in 3D using molecular dynamics simulations at a number of different densities. We found that at many densities, as the…
The polymer phases of AC60 form distinct crystal structures characterized by the mutual orientations of the (C60-)n chains. We show that the direct electric quadrupole interaction between chains always favors the orthorhombic structure Pmnn…
The structural, magnetic, and electronic properties of NdFe$_{0.5}$Mn$_{0.5}$O$_3$ have been studied in detail using bulk magnetization, neutron/x-ray diffraction and first principles density functional theory calculations. The material…
The crystal growth and the structural, transport and magnetic properties of the magnetically frustrated YbMn$_2$Sb$_2$ single crystals are reported. The crystals show a trigonal symmetry (space group $P\bar{3}m1$), where corrugated…
Synchrotron x-ray powder diffraction measurements have been performed on unpoled ceramic samples of (1-x)PbMg(1/3)Nb(2/3)O3-xPbTiO3 (PMN-xPT) with 30%<= x<= 39% as a function of temperature around the morphotropic phase boundary (MPB),…
Skyrmions in non-centrosymmetric magnets are vortex-like spin arrangements, viewed as potential candidates for information storage devices. The crystal structure and non-collinear magnetic structure together with magnetic and spin-orbit…
Five compounds were investigated for magnetic character and superconductivity, all with non-magnetic nickel and band structures containing flat bands and steep bands. The syntheses and crystal structures, refined by powder X-ray…
The macroscopic magnetic characterization of the Mn(II) - nitronyl nitroxide free radical chain (Mn(hfac)2(R)-3MLNN) evidenced its transition from a 1-dimensional behavior of ferrimagnetic chains to a 3-dimensional ferromagnetic long range…
We present joint theoretical-experimental study of the correlation effects in the electronic structure of (pyH)$_3$[Mn$_4$O$_3$Cl$_7$(OAc)$_3$]$\cdot$2MeCN molecular magnet (Mn$_4$). Describing the many-body effects by cluster dynamical…
MoTe2 is a rare transition-metal ditelluride having two kinds of layered polytypes, hexagonal structure with trigonal prismatic Mo coordination and monoclinic structure with octahedral Mo coordination. The monoclinic distortion in the…
We present a study of the dielectric, structural, and magnetic properties of the multiferroic or linear magnetoelectric substitution series [(NH$_4$)$_{1-x}$K$_x$]$_2$[FeCl$_5$(H$_2$O)]. Pyroelectric currents, magnetic susceptibilities, and…
We report the magnetic structure and properties of a thiocyanate-based honeycomb magnet [Na(OH$_2$)$_3$]Mn(NCS)$_3$ which crystallises in the unusual low-symmetry trigonal space group $P\overline{3}$. Magnetic measurements on powder samples…
A series of f-block chromates, CsM(CrO$_4$)$_2$ (M = La, Pr, Nd, Sm, Eu; Am), were prepared revealing notable differences between the AmIII derivatives and their lanthanide analogs. While all compounds form similar layered structures, the…
In this work we study the interplay between the crystal structure and magnetism of the pyroarsenate \alpha-Cu_2As_2O_7 by means of magnetization, heat capacity, electron spin resonance and nuclear magnetic resonance measurements as well as…
The electronic and magnetic structures of A2CrN3 (A = Ce, U) ternary compounds calculated based on band magnetism within DFT exhibit different behaviors of the nf elements (n = 4, 5 resp.). Charge analysis allows to formally express the two…