3,298 research outputs found
Magnetic interaction at an interface between manganite and other transition metal oxides
A general consideration is presented for the magnetic interaction at an
interface between a perovskite manganite and other transition metal oxides. The
latter is specified by the electron number in the level as
. Based on the molecular orbitals formed at the interface and
the generalized Hund's rule, the sign of the magnetic interaction is rather
uniquely determined. The exception is when the orbital is
stabilized in the interfacial manganite layer neighboring to a
or system. In this case, the magnetic
interaction is sensitive to the occupancy of the Mn orbital. It
is also shown that the magnetic interaction between the interfacial Mn layer
and the bulk region can be changed. Manganite-based heterostructures thus show
a rich magnetic behavior. We also present how to generalize the argument
including orbitals.Comment: 7pages, 4 figures, 1 tabl
Ferromagnetism and orbital order in a topological ferroelectric
We explore via density functional calculations the magnetic doping of a
topological ferroelectric as an unconventional route to multiferroicity.
Vanadium doping of the layered perovskite LaTiO largely
preserves electric polarization and produces robust ferromagnetic order, hence
proper multiferroicity. The marked tendency of dopants to cluster into chains
results in an insulating character at generic doping. Ferromagnetism stems from
the symmetry breaking of the multi-orbital V system via an unusual
"antiferro"-orbital order, and from the host's low-symmetry layered structure.Comment: 4 pages, 3 figures; Physical Review Letters 109, in print (2012
Electron Confinement, Orbital Ordering, and Orbital Moments in - Oxide Heterostructures
The (SrTiO)/(SrVO) multilayer system is studied
with first principles methods through the observed insulator-to-metal
transition with increasing thickness of the SrVO layer. When correlation
effects with reasonable magnitude are included, crystal field splittings from
the structural relaxations together with spin-orbit coupling (SOC) determines
the behavior of the electronic and magnetic structures. These confined slabs of
SrVO prefer =() orbital ordering of and
() orbitals within the plane, accompanied by
=(0,0) spin order (ferromagnetic alignment). The result is a
SOC-driven ferromagnetic Mott insulator. The orbital moment of 0.75
strongly compensates the spin moment on the sublattice. The
insulator-metal transition for (occurring between =4 and
=5) is reproduced. Unlike in the isoelectronic TiO/VO
(rutile structure) system and in spite of some similarities in orbital
ordering, no semi-Dirac point [{\it Phys. Rev. Lett.} {\bf 102}, 166803 (2009)]
is encountered, but the insulator-to-metal transition occurs through a
different type of unusual phase. For n=5 this system is very near (or at) a
unique semimetallic state in which the Fermi energy is topologically determined
and the Fermi surface consists of identical electron and hole Fermi circles
centered at =0. The dispersion consists of what can be regarded as a
continuum of radially-directed Dirac points, forming a "Dirac circle".Comment: 9 pages, 8 figure
Phase Competition in Ln0.5a0.5mno3 Perovskites
Single crystals of the systems Pr0.5(Ca1-xSrx)0.5MnO3,
(Pr1-yYy)0.5(Ca1-xSrx)0.5MnO3, and Sm0.5Sr0.5MnO3 were grown to provide a
series of samples with fixed ratio Mn(III)/Mn(IV)=1 having geometric tolerance
factors that span the transition from localized to itinerant electronic
behavior of the MnO3 array. A unique ferromagnetic phase appears at the
critical tolerance factor tc= 0.975 that separates charge ordering and
localized-electron behavior for t<tc from itinerant or molecular-orbital
behavior for t>tc. This ferromagnetic phase, which has to be distinguished from
the ferromagnetic metallic phase stabilized at tolerance factors t>tc,
separates two distinguishable Type-CE antiferromagnetic phases that are
metamagnetic. Measurements of the transport properties under hydrostatic
pressure were carried out on a compositions t a little below tc in order to
compare the effects of chemical vs. hydrostatic pressure on the phases that
compete with one another near t=tc.Comment: 10 pages. To be publised in Phys. Rev.
First-principles study of ferroelectric domain walls in multiferroic bismuth ferrite
We present a first-principles density functional study of the structural,
electronic and magnetic properties of the ferroelectric domain walls in
multiferroic BiFeO3. We find that domain walls in which the rotations of the
oxygen octahedra do not change their phase when the polarization reorients are
the most favorable, and of these the 109 degree domain wall centered around the
BiO plane has the lowest energy. The 109 degree and 180 degree walls have a
significant change in the component of their polarization perpendicular to the
wall; the corresponding step in the electrostatic potential is consistent with
a recent report of electrical conductivity at the domain walls. Finally, we
show that changes in the Fe-O-Fe bond angles at the domain walls cause changes
in the canting of the Fe magnetic moments which can enhance the local
magnetization at the domain walls.Comment: 9 pages, 20 figure
t-J model of coupled CuO ladders in SrCaCuO
Starting from the proper charge transfer model for CuO coupled
ladders in SrCaCuO we derive the low energy
Hamiltonian for this system. It occurs that the widely used ladder t-J model is
not sufficient and has to be supplemented by the Coulomb repulsion term between
holes in the neighboring ladders. Furthermore, we show how a simple mean-field
solution of the derived t-J model may explain the onset of the charge density
wave with the odd period in SrCaCuO.Comment: 8 pages, 4 figures, 2 table
Research for preparation of cation-conducting solids by high-pressure synthesis and other methods
It was shown that two body-centered-cubic skeleton structures, the Im3 KSbO3 phase and the defect-pyrochlore phase A(+)B2X6, do exhibit fast Na(+)-ion transport. The placement of anions at the tunnel intersection sites does not impede Na(+)-ion transport in (NaSb)3)(1/6 NaF), and may not in (Na(1+2x)Ta2 5F)(Ox). The activation energies are higher than those found in beta-alumina. There are two possible explanations for the higher activation energy: breathing of the bottleneck (site face or edge) through which the A(+) ions must pass on jumping from one site to another may be easier in a layer structure and/or A(+)-O bonding may be stronger in the cubic structures because the O(2-) ion bonds with two (instead of three) cations of the skeleton. If the former explanation is dominant, a lower activation energy may be achieved by optimizing the lattice parameter. If the latter is dominant, a new structural principle may have to be explored
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