263 research outputs found
Structural response to O*-O' and magnetic transitions in orthorhombic perovskites
We present a temperature dependent single crystal x-ray diffraction study of
twinned orthorhombic perovskites La1-xCaxMnO3, for x=0.16 and x=0.25. These
data show the evolution of the crystal structure from the ferromagnetic
insulating state to the ferromagnetic metallic state. The data are modelled in
space group Pnma with twin relations based on a distribution of the b axis over
three perpendicular cubic axes. The twin model allows full structure
determination in the presence of up to six twin fractions using the single
crystal x-ray diffraction data.Comment: 13 pages, including 13 figures and 2 table
Commensurate-Incommensurate transition in the melting process of the orbital ordering in Pr0.5Ca0.5MnO3: neutron diffraction study
The melting process of the orbital order in
Pr0.5Ca0.5MnO3 single crystal has been studied in detail as a function of
temperature by neutron diffraction. It is demonstrated that a
commensurate-incommensurate (C-IC) transition of the orbital ordering takes
place in a bulk sample, being consistent with the electron diffraction studies.
The lattice structure and the transport properties go through drastic changes
in the IC orbital ordering phase below the charge/orbital ordering temperature
Tco/oo, indicating that the anomalies are intimately related to the partial
disordering of the orbital order, unlike the consensus that it is related to
the charge disordering process. For the same T range, partial disorder of the
orbital ordering turns on the ferromagnetic spin fluctuations which were
observed in a previous neutron scattering study.Comment: 5 pages, 2 figures, REVTeX, to be published in Phys. Rev.
Ferromagnetic Polarons in La0.5Ca0.5MnO3 and La0.33Ca0.67MnO3
Unrestricted Hartree-Fock calculations on La0.5Ca0.5MnO3 and La0.33Ca0.67MnO3
in the full magnetic unit cell show that the magnetic ground states of these
compounds consist of 'ferromagnetic molecules' or polarons ordered in
herring-bone patterns. Each polaron consists of either three or five Mn ions
separated by O- ions with a magnetic moment opposed to those of the Mn ions.
Ferromagnetic coupling within the polarons is strong while coupling between
them is relatively weak. Magnetic moments on the Mn ions range between 3.8 and
3.9 Bohr magnetons in La0.5Ca0.5MnO3 and moments on the O- ions are -0.7 Bohr
magnetons. Each polaron has a net magnetic moment of 7.0 Bohr magnetons, in
good agreement with recently reported magnetisation measurements from electron
microscopy. The polaronic nature of the electronic structure reported here is
obviously related to the Zener polaron model recently proposed for
Pr0.6Ca0.4MnO3 on the basis of neutron scattering data.Comment: 4 pages 5 figure
Giant positive magnetoresistance in metallic VOx thin films
We report on giant positive magnetoresistance effect observed in VOx thin
films, epitaxially grown on SrTiO3 substrate. The MR effect depends strongly on
temperature and oxygen content and is anisotropic. At low temperatures its
magnitude reaches 70% in a magnetic field of 5 T. Strong electron-electron
interactions in the presence of strong disorder may qualitatively explain the
results. An alternative explanation, related to a possible magnetic
instability, is also discussed.Comment: 4 pages, 5 figures included in the text, references update
Effect of band-filling and structural distortions on the Curie temperature of Fe-Mo double perovkites
By means of high resolution neutron powder diffraction at low temperature we
have characterized the structural details of
() and () series of compounds. This study reveals a similar variation of the mean
bond-angle \FeOMo in both series. In contrast, the mean bond-distance \FeMoO\
increases with La but not with Ca substitution. Both series also present a
different evolution of the Curie temperature (), which raises in the La
series and slightly decreases in the Ca one. We thus conclude that the
enhancement of in the La series is due to the electron filling of the
conduction band and a concomitant rising of the density of states at the Fermi
level.Comment: Revtex, 4 Journal pages, 2 figures, 1 tabl
Cooling rate dependence of the antiferromagnetic domain structure of a single crystalline charge ordered manganite
The low temperature phase of single crystals of NdCaMnO
and GdCaMnO manganites is investigated by squid
magnetometry. NdCaMnO undergoes a charge-ordering
transition at =245K, and a long range CE-type antiferromagnetic state
is established at =145K. The dc-magnetization shows a cooling rate
dependence below , associated with a weak spontaneous moment. The
associated excess magnetization is related to uncompensated spins in the
CE-type antiferromagnetic structure, and to the presence in this state of
fully orbital ordered regions separated by orbital domain walls. The observed
cooling rate dependence is interpreted to be a consequence of the rearrangement
of the orbital domain state induced by the large structural changes occurring
upon cooling.Comment: REVTeX4; 7 pages, 4 figures. Revised 2001/12/0
Selective Spin-State Switch and Metal-Insulator Transition in \boldmath
Ultra-high resolution synchrotron diffraction data for
throw new light on the metal-insulator transition of Co Ba-cobaltites.
An anomalous expansion of CoO octahedra is observed at the phase transition
on heating, while CoO pyramids show the normal shrinking at the closing of
the gap. The insulator-to-metal transition is attributed to a sudden excitation
of some electrons in the octahedra ( state) into the Co band
(final state). The state in the pyramids does
not change and the structural study also rules out a
orbital ordering at .Comment: Phys. Rev. B (to appear
Orbital Ordering in Paramagnetic LaMnO3 and KCuF3
{\it Ab-initio} studies of the stability of orbital ordering, its coupling to
magnetic structure and its possible origins (electron-phonon and/or
electron-electron interactions) are reported for two perovskite systems,
LaMnO and KCuF. We present a new Average Spin State (ASS) calculational
scheme that allowed us to treat a paramagnetic state. Using this scheme, we
succesfully described the experimental magnetic/orbital phase diagram of both
LaMnO and KCuF in crystal structures when the Jahn-Teller distortions
are neglected. Hence, we conclude that the orbital ordering in both compounds
is purely electronic in origin.Comment: 10 pages, 5 figure
Anisotropic Superexchange for nearest and next nearest coppers in chain, ladder and lamellar cuprates
We present a detailed calculation of the magnetic couplings between
nearest-neighbor and next-nearest-neighbor coppers in the edge-sharing
geometry, ubiquitous in many cuprates. In this geometry, the interaction
between nearest neighbor coppers is mediated via two oxygens, and the Cu-O-Cu
angle is close to 90 degrees. The derivation is based on a perturbation
expansion of a general Hubbard Hamiltonian, and produces numerical estimates
for the various magnetic energies. In particular we find the dependence of the
anisotropy energies on the angular deviation away from the 90 degrees geometry
of the Cu-O-Cu bonds. Our results are required for the correct analysis of the
magnetic structure of various chain, ladder and lamellar cuprates.Comment: 13 pages, Latex, 7 figure
Ab initio investigation of VOSeO3, a spin gap system with coupled spin dimers
Motivated by an early experimental study of VOSeO3, which suggested that it
is a quasi-2D system of weakly coupled spin dimers with a small spin gap, we
have investigated the electronic structure of this material via
density-functional calculations. These ab initio results indicate that the
system is better thought of as an alternating spin-1/2 chain with moderate
interchain interactions, an analog of (VO)2P2O7. The potential interest of this
system for studies in high magnetic field given the presumably small value of
the spin gap is emphasized.Comment: 4 pages, 5 figure
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