30 research outputs found
Possible charge inhomogeneities in the CuO2 planes of YBa2Cu3O6+x (x=0.25, 0.45, 0.65, 0.94) from pulsed neutron diffraction
The atomic pair distribution functions (PDF) of four powder samples of
YBa2Cu3O6+x (x=0.25, 0.45, 0.65, 0.94) at 15 K have been measured by means of
pulsed neutron diffraction. The PDF is modelled using a full-profile fitting
approach to yield structural parameters. In contrast to earlier XAFS work we
find no evidence of a split apical oxygen site. However, a slightly improved
fit over the average crystallographic model results when the planar Cu(2) site
is split along the z-direction. This is interpreted in terms of charge
inhomogeneities in the CuO2 planes.Comment: 8 pages, 3 figure
X-ray diffraction computed tomography for structural analysis of electrode materials in batteries
We report the use of X-ray diffraction in combination with computed tomography to provide quantitative information of a coin cell Li-ion battery and a commercial Ni/MH AAA battery for the first time. This technique allows for structural information to be garnered and opens up the possibility of tracking nanostructural changes in operandi. In the case of the cylindrically wound, standard AAA Ni/MH cell, we were able to map all the different phases in the complex geometry, including anode, cathode, current collector and casing, as well as amorphous phases such as the binder and separator. In the case of a Li-ion coin cell battery, we show how the X-ray diffraction tomography data can be used to map crystal texture of the LiCoO2 particles over the cathode film. Our results reveal that the LiCoO2 microparticles show a high degree of preferred orientation, but that this effect is not homogenous over the film, which may affect the electrochemical properties
Evidence for charge localization in the ferromagnetic phase of La_(1-x)Ca_(x)MnO_3 from High real-space-resolution x-ray diffraction
High real-space-resolution atomic pair distribution functions of
La_(1-x)Ca_(x)MnO_3 (x=0.12, 0.25 and 0.33) have been measured using
high-energy x-ray powder diffraction to study the size and shape of the MnO_6
octahedron as a function of temperature and doping. In the paramagnetic
insulating phase we find evidence for three distinct bond-lengths (~ 1.88, 1.95
and 2.15A) which we ascribe to Mn^{4+}-O, Mn^{3+}-O short and Mn^{3+}-O long
bonds respectively. In the ferromagnetic metallic (FM) phase, for x=0.33 and
T=20K, we find a single Mn-O bond-length; however, as the metal-insulator
transition is approached either by increasing T or decreasing x, intensity
progressively appears around r=2.15 and in the region 1.8 - 1.9A suggesting the
appearance of Mn^{3+}-O long bonds and short Mn^{4+}-O bonds. This is strong
evidence that charge localized and delocalized phases coexist close to the
metal-insulator transition in the FM phase.Comment: 8 pages, 8 postscript figures, submitted to Phys. Rev.
Argon annealing of the oxygen-isotope exchanged manganite La_{0.8}Ca_{0.2}MnO_{3+y}
We have resolved a controversial issue concerning the oxygen-isotope shift of
the ferromagnetic transition temperature T_{C} in the manganite
La_{0.8}Ca_{0.2}MnO_{3+y}. We show that the giant oxygen-isotope shift of T_C
observed in the normal oxygen-isotope exchanged samples is indeed intrinsic,
while a much smaller shift observed in the argon annealed samples is an
artifact. The argon annealing causes the 18O sample to partially exchange back
to the 16O isotope due to a small 16O contamination in the Ar gas. Such a
contamination is commonly caused by the oxygen outgas that is trapped in the
tubes, connectors and valves. The present results thus umambiguously
demonstrate that the observed large oxygen isotope effect is an intrinsic
property of manganites, and places an important constraint on the basic physics
of these materials.Comment: 4 pages, 3 figures, submitted to PR
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
Temperature Dependence of Low-Lying Electronic Excitations of LaMnO_3
We report on the optical properties of undoped single crystal LaMnO_3, the
parent compound of the colossal magneto-resistive manganites. Near-Normal
incidence reflectance measurements are reported in the frequency range of
20-50,000 cm-1 and in the temperature range 10-300 K. The optical conductivity,
s_1(w), is derived by performing a Kramers-Kronig analysis of the reflectance
data. The far-infrared spectrum of s_1(w) displays the infrared active optical
phonons. We observe a shift of several of the phonon to high frequencies as the
temperature is lowered through the Neel temperature of the sample (T_N = 137
K). The high-frequency s_1(w) is characterized by the onset of absorption near
1.5 eV. This energy has been identified as the threshold for optical
transitions across the Jahn-Teller split e_g levels. The spectral weight of
this feature increases in the low-temperature state. This implies a transfer of
spectral weight from the UV to the visible associated with the paramagnetic to
antiferromagnetic state. We discuss the results in terms of the double exchange
processes that affect the optical processes in this magnetic material.Comment: 7 pages, 5 figure
On the effects of the magnetic field and the isotopic substitution upon the infrared absorption of manganites
Employing a variational approach that takes into account electron-phonon and
magnetic interactions in perovskites with , the
effects of the magnetic field and the oxygen isotope substitution on the phase
diagram, the electron-phonon correlation function and the infrared absorption
at are studied. The lattice displacements show a strong correlation
with the conductivity and the magnetic properties of the system. Then the
conductivity spectra are characterized by a marked sensitivity to the external
parameters near the phase boundary.Comment: 10 figure
Band-filling effects on electron-phonon properties of normal and superconducting state
We address the effect of band filling on the effective electron mass
and the superconducting critical temperature in a electron-phonon system.
We compare the vertex corrected theory with the non-crossing approximation of
the Holstein model within a local approximation. We identify two regions of the
electron density where and are enhanced or decreased by the
inclusion of the vertex diagrams. We show that the crossover between the
enhancement at low density and the decrease towards half filling is almost
independent of the microscopic electron-phonon parameters. These different
behaviors are explained in terms of the net sign of the vertex diagrams which
is positive at low densities and negative close to half filling. Predictions of
the present theory for doped MgB, which is argued to be in the low density
regime, are discussed.Comment: 13 revtex pages, figures eps include
Polaron features of the one-dimensional Holstein Molecular Crystal Model
The polaron features of the one-dimensional Holstein Molecular Crystal Model
are investigated by improving a variational method introduced recently and
based on a linear superposition of Bloch states that describe large and small
polaron wave functions. The mean number of phonons, the polaron kinetic energy,
the electron-phonon local correlation function, and the ground state spectral
weight are calculated and discussed. A crossover regime between large and small
polaron for any value of the adiabatic parameter is found and a
polaron phase diagram is proposed.Comment: 12 pages, 2 figure
The Structure of Nanoscale Polaron Correlations in La1.2Sr1.8Mn2O7
A system of strongly-interacting electron-lattice polarons can exhibit charge
and orbital order at sufficiently high polaron concentrations. In this study,
the structure of short-range polaron correlations in the layered colossal
magnetoresistive perovskite manganite, La1.2Sr1.8Mn2O7, has been determined by
a crystallographic analysis of broad satellite maxima observed in diffuse X-ray
and neutron scattering data. The resulting q=(0.3,0,1) modulation is a
longitudinal octahedral-stretch mode, consistent with an incommensurate
Jahn-Teller-coupled charge-density-wave fluctuations, that implies an unusual
orbital-stripe pattern parallel to the directions.Comment: Reformatted with RevTe