57 research outputs found
Theory of Transition Temperature of Magnetic Double Perovskites
We formulate a theory of double perovskite coumpounds such as SrFeReO
and SrFeMoO which have attracted recent attention for their possible
uses as spin valves and sources of spin polarized electrons. We solve the
theory in the dynamical mean field approximation to find the magnetic
transition temperature . We find that is determined by a subtle
interplay between carrier density and the Fe-Mo/Re site energy difference, and
that the non-Fe same-sublattice hopping acts to reduce . Our results
suggest that presently existing materials do not optimize
Searching for the Slater Transition in the Pyrochlore CdOsO with Infrared Spectroscopy
Infrared reflectance measurements were made on the single crystal pyrochlore
CdOsO in order to examine the transformations of the
electronic structure and crystal lattice across the boundary of the metal
insulator transition at . All predicted IR active phonons are
observed in the conductivity over all temperatures and the oscillator strength
is found to be temperature independent. These results indicate that charge
ordering plays only a minor role in the MIT and that the transition is strictly
electronic in nature. The conductivity shows the clear opening of a gap with
. The gap opens continuously, with a temperature
dependence similar to that of BCS superconductors, and the gap edge having a
distinct dependence. All of these
observables support the suggestion of a Slater transition in CdOsO.Comment: 4 pages, 4 figure
Theory of a Higher Order Phase Transition: Superconducting Transition in BKBO
We describe here the properties expected of a higher (with emphasis on the
order fourth) order phase transition. The order is identified in the sense
first noted by Ehrenfest, namely in terms of the temperature dependence of the
ordered state free energy near the phase boundary. We have derived an equation
for the phase boundary in terms of the discontinuities in thermodynamic
observables, developed a Ginzburg-Landau free energy and studied the
thermodynamic and magnetic properties. We also discuss the current status of
experiments on and other based superconductors,
the expectations for parameters and examine alternative explanations of the
experimental results.Comment: 18 pages, no figure
Non-cubic layered structure of Ba(1-x)K(x)BiO3 superconductor
Bismuthate superconductor Ba(1-x)K(x)BiO3 (x=0.27-0.49, Tc=25-32K) grown by
an electrolysis technique was studied by electron diffraction and
high-resolution electron microscopy. The crystalline structure thereof has been
found to be non-cubic, of the layered nature, and non-centrosymmetric, with the
lattice parameters a ~ ap, c ~ 2ap (ap is a simple cubic perovskite cell
parameter) containing an ordered arrangement of barium and potassium. The
evidence for the layered nature of the bismuthate superconductor removes the
principal crystallographic contradiction between bismuthate and cuprate high-Tc
superconductors.Comment: 4 pages, 3 figures, to be published in Physical Review B as a Rapid
Communicatio
Phase diagram and influence of defects in the double perovskites
The phase diagram of the double perovskites of the type Sr_{2-x} La_x Fe Mo
O_6 is analyzed, with and without disorder due to antisites. In addition to an
homogeneous half metallic ferrimagnetic phase in the absence of doping and
disorder, we find antiferromagnetic phases at large dopings, and other
ferrimagnetic phases with lower saturation magnetization, in the presence of
disorder.Comment: 4 pages, 3 postscript figures, some errata correcte
Phase diagram of the one-dimensional extended attractive Hubbard model for large nearest-neighbor repulsion
We consider the extended Hubbard model with attractive on-site interaction U
and nearest-neighbor repulsions V. We construct an effective Hamiltonian
H_{eff} for hopping t<<V and arbitrary U<0. Retaining the most important terms,
H_{eff} can be mapped onto two XXZ models, solved by the Bethe ansatz. The
quantum phase diagram shows two Luttinger liquid phases and a region of phase
separation between them. For density n<0.422 and U<-4, singlet superconducting
correlations dominate at large distances. For some parameters, the results are
in qualitative agreement with experiments in BaKBiO.Comment: 6 pages, 3 figures, submitted to Phys. Rev.
Bulk-sensitive photoemission spectroscopy of A_2FeMoO_6 double perovskites (A=Sr, Ba)
Electronic structures of Sr_2FeMoO_6 (SFMO) and Ba_2FeMoO_6 (BFMO) double
perovskites have been investigated using the Fe 2p->3d resonant photoemission
spectroscopy (PES) and the Cooper minimum in the Mo 4d photoionization cross
section. The states close to the Fermi level are found to have strongly mixed
Mo-Fe t_{2g} character, suggesting that the Fe valence is far from pure 3+. The
Fe 2p_{3/2} XAS spectra indicate the mixed-valent Fe^{3+}-Fe^{2+}
configurations, and the larger Fe^{2+} component for BFMO than for SFMO,
suggesting a kind of double exchange interaction. The valence-band PES spectra
reveal good agreement with the LSDA+U calculation.Comment: 4 pages, 3 figure
First principles electronic structure of spinel LiCr2O4: A possible half-metal?
We have employed first-principles electronic structure calculations to
examine the hypothetical (but plausible) oxide spinel, LiCr2O4 with the d^{2.5}
electronic configuration. The cell (cubic) and internal (oxygen position)
structural parameters have been obtained for this compound through structural
relaxation in the first-principles framework. Within the one-electron band
picture, we find that LiCr2O4 is magnetic, and a candidate half-metal. The
electronic structure is substantially different from the closely related and
well known rutile half-metal CrO2. In particular, we find a smaller conduction
band width in the spinel compound, perhaps as a result of the distinct topology
of the spinel crystal structure, and the reduced oxidation state. The magnetism
and half-metallicity of LiCr2O4 has been mapped in the parameter space of its
cubic crystal structure. Comparisons with superconducting LiTi2O4 (d^{0.5}),
heavy-fermion LiV2O4 (d^{1.5}) and charge-ordering LiMn2O4 (d^{3.5}) suggest
the effectiveness of a nearly-rigid band picture involving simple shifts of the
position of E_F in these very different materials. Comparisons are also made
with the electronic structure of ZnV2O4 (d^{2}), a correlated insulator that
undergoes a structural and antiferromagnetic phase transition.Comment: 9 pages, 7 Figures, version as published in PR
Structural and doping effects in the half-metallic double perovskite CrWO
he structural, transport, magnetic and optical properties of the double
perovskite CrWO with have been studied. By
varying the alkaline earth ion on the site, the influence of steric effects
on the Curie temperature and the saturation magnetization has been
determined. A maximum K was found for SrCrWO having an almost
undistorted perovskite structure with a tolerance factor . For
CaCrWO and BaCrWO structural changes result in a strong
reduction of . Our study strongly suggests that for the double perovskites
in general an optimum is achieved only for , that is, for an
undistorted perovskite structure. Electron doping in SrCrWO by a
partial substitution of Sr by La was found to reduce both
and the saturation magnetization . The reduction of could be
attributed both to band structure effects and the Cr/W antisites induced by
doping. Band structure calculations for SrCrWO predict an energy gap in
the spin-up band, but a finite density of states for the spin-down band. The
predictions of the band structure calculation are consistent with our optical
measurements. Our experimental results support the presence of a kinetic energy
driven mechanism in CrWO, where ferromagnetism is stabilized by a
hybridization of states of the nonmagnetic W-site positioned in between the
high spin Cr-sites.Comment: 14 pages, 10 figure
Magnetoelectric ordering of BiFeO3 from the perspective of crystal chemistry
In this paper we examine the role of crystal chemistry factors in creating
conditions for formation of magnetoelectric ordering in BiFeO3. It is generally
accepted that the main reason of the ferroelectric distortion in BiFeO3 is
concerned with a stereochemical activity of the Bi lone pair. However, the lone
pair is stereochemically active in the paraelectric orthorhombic beta-phase as
well. We demonstrate that a crucial role in emerging of phase transitions of
the metal-insulator, paraelectric-ferroelectric and magnetic disorder-order
types belongs to the change of the degree of the lone pair stereochemical
activity - its consecutive increase with the temperature decrease. Using the
structural data, we calculated the sign and strength of magnetic couplings in
BiFeO3 in the range from 945 C down to 25 C and found the couplings, which
undergo the antiferromagnetic-ferromagnetic transition with the temperature
decrease and give rise to the antiferromagnetic ordering and its delay in
regard to temperature, as compared to the ferroelectric ordering. We discuss
the reasons of emerging of the spatially modulated spin structure and its
suppression by doping with La3+.Comment: 18 pages, 5 figures, 3 table
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