High-temperature ferroelectric order and magnetic field-cooled effect driven magnetoelectric coupling in R2BaCuO5 (R= Er, Dy, Sm)

The high-temperature ferroelectric order and a remarkable magnetoelectric effect driven by the magnetic field cooling are reported in R2BaCuO5 (R = Er, Dy, Sm) series. The ferroelectric (FE) orders are observed at much higher temperatures than their magnetic orders for all three members. The value of FE Curie temperature (TFE) is considerably high as ~ 235 K with the polarization value (P) of ~ 1410 {\mu}C/m2 for a 4 kV/cm poling field in case of Er2BaCuO5, whereas the values of TFE and P are also promising as ~ 232 K and ~ 992 {\mu}C/m2 for Dy2BaCuO5, and ~ 184 K and ~ 980 {\mu}C/m2 for Sm2BaCuO5. The synchrotron diffraction studies of Dy2BaCuO5 confirm a structural transition at TFE to a polar Pna21 structure, which correlates the FE order. An unusual magnetoelectric coupling is observed below the R order for Er and Dy compounds and below the Cu order for Sm compound, when the pyroelectric current is recorded only with the magnetic field both in heating and cooling cycles i.e. typical magnetic field cooled effect. The magnetic field cooled effect driven emergence of polarization is ferroelectric in nature, as it reverses due to the opposite poling field. The unexplored R2BaCuO5 series attracts the community for large TFE, high P value, and strange magnetoelectric consequences.Comment: 9 figures and 2 supporting figure

Magnetic properties of undoped Cu2O fine powders with magnetic impurities and/or cation vacancies

Fine powders of micron- and submicron-sized particles of undoped Cu2O semiconductor, with three different sizes and morphologies have been synthesized by different chemical processes. These samples include nanospheres 200 nm in diameter, octahedra of size 1 micron, and polyhedra of size 800 nm. They exhibit a wide spectrum of magnetic properties. At low temperature, T = 5 K, the octahedron sample is diamagnetic. The nanosphere is paramagnetic. The other two polyhedron samples synthesized in different runs by the same process are found to show different magnetic properties. One of them exhibits weak ferromagnetism with T_C = 455 K and saturation magnetization, M_S = 0.19 emu/g at T = 5 K, while the other is paramagnetic. The total magnetic moment estimated from the detected impurity concentration of Fe, Co, and Ni, is too small to account for the observed magnetism by one to two orders of magnitude. Calculations by the density functional theory (DFT) reveal that cation vacancies in the Cu2O lattice are one of the possible causes of induced magnetic moments. The results further predict that the defect-induced magnetic moments favour a ferromagnetically coupled ground state if the local concentration of cation vacancies, n_C, exceeds 12.5%. This offers a possible scenario to explain the observed magnetic properties. The limitations of the investigations in the present work, in particular in the theoretical calculations, are discussed and possible areas for further study are suggested.Comment: 20 pages, 5 figures 2 tables, submitted to J Phys Condense Matte

Quantum Random Access Codes with Shared Randomness

We consider a communication method, where the sender encodes n classical bits into 1 qubit and sends it to the receiver who performs a certain measurement depending on which of the initial bits must be recovered. This procedure is called (n,1,p) quantum random access code (QRAC) where p > 1/2 is its success probability. It is known that (2,1,0.85) and (3,1,0.79) QRACs (with no classical counterparts) exist and that (4,1,p) QRAC with p > 1/2 is not possible. We extend this model with shared randomness (SR) that is accessible to both parties. Then (n,1,p) QRAC with SR and p > 1/2 exists for any n > 0. We give an upper bound on its success probability (the known (2,1,0.85) and (3,1,0.79) QRACs match this upper bound). We discuss some particular constructions for several small values of n. We also study the classical counterpart of this model where n bits are encoded into 1 bit instead of 1 qubit and SR is used. We give an optimal construction for such codes and find their success probability exactly--it is less than in the quantum case. Interactive 3D quantum random access codes are available on-line at http://home.lanet.lv/~sd20008/racs .Comment: 51 pages, 33 figures. New sections added: 1.2, 3.5, 3.8.2, 5.4 (paper appears to be shorter because of smaller margins). Submitted as M.Math thesis at University of Waterloo by M

Mixed valency in cerium oxide crystallographic phases: Determination of valence of the different cerium sites by the bond valence method

We have applied the bond valence method to cerium oxides to determine the oxidation states of the Ce ion at the various site symmetries of the crystals. The crystals studied include cerium dioxide and the two sesquioxides along with some selected intermediate phases which are crystallographically well characterized. Our results indicate that cerium dioxide has a mixed-valence ground state with an f-electron population on the Ce site of 0.27 while both the A- and C-sesquioxides have a nearly pure f^1 configuration. The Ce sites in most of the intermediate oxides have non-integral valences. Furthermore, many of these valences are different from the values predicted from a naive consideration of the stoichiometric valence of the compound

Measurements and ab initio Molecular Dynamics Simulations of the High Temperature Ferroelectric Transition in Hexagonal RMnO3

Measurements of the structure of hexagonal RMnO3 (R=rare earths (Ho) and Y) for temperatures significantly above the ferroelectric transition temperature (TFE) were conducted to determine the nature of the transition. The local and long range structural measurements were complemented by ab initio molecular dynamics simulations. With respect to the Mn sites in YMnO3 and HoMnO3, we find no large atomic (bond distances or thermal factors), electronic structure changes or rehybridization on crossing TFE from local structural methods. The local symmetry about the Mn sites is preserved. With respect to the local structure about the Ho sites, a reduction of the average Ho-O bond with increased temperature is found. Ab initio molecular dynamics calculations on HoMnO3 reveal the detailed motions of all ions. Above ~900 K there are large displacements of the Ho, O3 and O4 ions along the z-axis which reduce the buckling of the MnO3/O4 planes. The changes result in O3/O4 ions moving to towards central points between pairs of Ho ions on the z-axis. These structural changes make the coordination of Ho sites more symmetric thus extinguishing the electric polarization. At significantly higher temperatures, rotation of the MnO5 polyhedra occurs without a significant change in electric polarization. The born effective charge tensor is found to be highly anisotropic at the O sites but does not change appreciably at high temperatures

The local atomic quasicrystal structure of the icosahedral Mg25Y11Zn64 alloy

A local and medium range atomic structure model for the face centred icosahedral (fci) Mg25Y11Zn64 alloy has been established in a sphere of r = 27 A. The model was refined by least squares techniques using the atomic pair distribution (PDF) function obtained from synchrotron powder diffraction. Three hierarchies of the atomic arrangement can be found: (i) five types of local coordination polyhedra for the single atoms, four of which are of Frank-Kasper type. In turn, they (ii) form a three-shell (Bergman) cluster containing 104 atoms, which is condensed sharing its outer shell with its neighbouring clusters and (iii) a cluster connecting scheme corresponding to a three-dimensional tiling leaving space for few glue atoms. Inside adjacent clusters, Y8-cubes are tilted with respect to each other and thus allow for overall icosahedral symmetry. It is shown that the title compound is essentially isomorphic to its holmium analogue. Therefore fci-Mg-Y-Zn can be seen as the representative structure type for the other rare earth analogues fci-Mg-Zn-RE (RE = Dy, Er, Ho, Tb) reported in the literature.Comment: 12 pages, 8 figures, 2 table