21 research outputs found
Polarized far-infrared and Raman spectra of SrCuO2 single crystals
We measured polarized far-infrared reflectivity and Raman scattering spectra
of SrCuO single crystals. The frequencies for infrared-active modes were
determined using an oscillator-fitting procedure of reflectivity data. The
Raman spectra were measured at different temperatures using several laser
energies . In addition to eight of twelve Raman active modes,
predicted by factor-group analysis, we observed a complex structure in the
Raman spectra for polarization parallel to the {\bf c}-axis, which consists of
Raman-allowed A symmetry modes, and B LO infrared-active
(Raman-forbidden) modes of the first and higher order as well as their
combinations. The Raman-forbidden modes have a stronger intensity at higher
than the Raman-allowed ones. In order to explain this resonance
effect, we measured the dielectric function and optical reflection spectra of
SrCuO in the visible range. We show that the Raman-allowed A symmetry
modes are resonantly enhanced when a laser energy is close to , while
Raman-forbidden (IR-active) modes resonate strongly for laser line energies
close to the electronic transition of higher energy gaps.Comment: to be published in Physica
Lattice vibrations of alpha'-NaV_2O_5 in the low-temperature phase. Magnetic bound states?
We report high resolution polarized infrared studies of the quarter-filled
spin ladder compound alpha'-NaV_2O_5 as a function of temperature (5K <= T <=
300K). Numerous new modes were detected below the temperature T_c=34K of the
phase transition into a charge ordered nonmagnetic state accompanied by a
lattice dimerization. We analyse the Brillouin zone (BZ) folding due to lattice
dimerization at T_c and show that some peculiarities of the low-temperature
vibrational spectrum come from quadruplets folded from the BZ point (1/2, 1/2,
1/4). We discuss an earlier interpretation of the 70, 107, and 133cm-1 modes as
magnetic bound states and propose the alternative interpretation as folded
phonon modes strongly interacting with charge and spin excitations.Comment: 15 pages, 13 Postscript figure
Charge-ordering phase transition and order-disorder effects in the Raman spectra of NaV2O5
In the ac polarized Raman spectra of NaV2O5 we have found anomalous phonon
broadening, and an energy shift of the low-frequency mode as a function of the
temperature. These effects are related to the breaking of translational
symmetry, caused by electrical disorder that originates from the fluctuating
nature of the V {4.5+} valence state of vanadium. The structural correlation
length, obtained from comparisons between the measured and calculated Raman
scattering spectra, diverges at T< 5 K, indicating the existence of the
long-range charge order at very low temperatures, probably at T=0 K.Comment: 8 pages, 4 figures, new version, to appear in PR
Temperature dependence of optical spectral weights in quarter-filled ladder systems
The temperature dependence of the integrated optical conductivity I(T)
reflects the changes of the kinetic energy as spin and charge correlations
develop. It provides a unique way to explore experimentally the kinetic
properties of strongly correlated systems. We calculated I(T) in the frame of a
t-J-V model at quarter-filling for ladder systems, like NaV_2O_5, and show that
the measured strong T dependence of I(T) for NaV_2O_5 can be explained by the
destruction of short range antiferromagnetic correlations. Thus I(T) provides
detailed information about super-exchange and magnetic energy scales.Comment: 4 pages, 5 figure
Spin-Peierls transition in NaV2O5 in high magnetic fields
We investigate the magnetic field dependence of the spin-Peierls transition
in NaVO in the field range 16T-30T. The transition temperature exhibits
a very weak variation with the field, suggesting a novel mechanism for the
formation of the spin-Peierls state. We argue that a charge ordering transition
accompanied by singlet formation is consistent with our observations.Comment: 4 pages, 3 figures, final version to appear in Phys. Rev. B (RC
Low energy excitations and dynamic Dzyaloshinskii-Moriya interaction in -NaVO studied by far infrared spectroscopy
We have studied far infrared transmission spectra of alpha'-NaV2O5 between 3
and 200cm-1 in polarizations of incident light parallel to a, b, and c
crystallographic axes in magnetic fields up to 33T. The triplet origin of an
excitation at 65.4cm-1 is revealed by splitting in the magnetic field. The
magnitude of the spin gap at low temperatures is found to be magnetic field
independent at least up to 33T. All other infrared-active transitions appearing
below Tc are ascribed to zone-folded phonons. Two different dynamic
Dzyaloshinskii-Moriya (DM) mechanisms have been discovered that contribute to
the oscillator strength of the otherwise forbidden singlet to triplet
transition. 1. The strongest singlet to triplet transition is an electric
dipole transition where the polarization of the incident light's electric field
is parallel to the ladder rungs, and is allowed by the dynamic DM interaction
created by a high frequency optical a-axis phonon. 2. In the incident light
polarization perpendicular to the ladder planes an enhancement of the singlet
to triplet transition is observed when the applied magnetic field shifts the
singlet to triplet resonance frequency to match the 68cm-1 c-axis phonon
energy. The origin of this mechanism is the dynamic DM interaction created by
the 68cm-1 c-axis optical phonon. The strength of the dynamic DM is calculated
for both mechanisms using the presented theory.Comment: 21 pages, 22 figures. Version 2 with replaced fig. 18 were labels had
been los
A microscopic model for the structural transition and spin gap formation in alpha'-NaV2O5
We present a microscopic model for alpha'-NaV2O5. Using an extended Hubbard
model for the vanadium layers we derive an effective low-energy model
consisting of pseudospin Ising chains and Heisenberg chains coupled to each
other. We find a ``spin-Peierls-Ising'' phase transition which causes charge
ordering on every second ladder and superexchange alternation on the other
ladders. This transition can be identified with the first transition of the two
closeby transitions observed in experiment. Due to charge ordering the
effective coupling between the lattice and the superexchange is enhanced. This
is demonstrated within a Slater-Koster approximation. It leads to a second
instability with superexchange alternation on the charge-ordered ladders due to
an alternating shift of the O sites on the rungs of that ladder. We can explain
within our model the observed spin gap, the anomalous BCS ratio, and the
anomalous shift of the critical temperature of the first transition in a
magnetic field. To test the calculated superstructure we determine the
low-energy magnon dispersion and find agreement with experiment.Comment: 32 pages, 12 figures include
Multiscale modelling for fusion and fission materials: the M4F project
The M4F project brings together the fusion and fission materials communities working on the prediction of radiation damage production and evolution and its effects on the mechanical behaviour of irradiated ferritic/martensitic (F/M) steels. It is a multidisciplinary project in which several different experimental and computational materials science tools are integrated to understand and model the complex phenomena associated with the formation and evolution of irradiation induced defects and their effects on the macroscopic behaviour of the target materials. In particular the project focuses on two specific aspects: (1) To develop physical understanding and predictive models of the origin and consequences of localised deformation under irradiation in F/M steels; (2) To develop good practices and possibly advance towards the definition of protocols for the use of ion irradiation as a tool to evaluate radiation effects on materials. Nineteen modelling codes across different scales are being used and developed and an experimental validation programme based on the examination of materials irradiated with neutrons and ions is being carried out. The project enters now its 4th year and is close to delivering high-quality results. This paper overviews the work performed so far within the project, highlighting its impact for fission and fusion materials science.This work has received funding from the Euratom research and training programme 2014-2018 under grant agreement No. 755039 (M4F project)
The study of temperature and radiation induced degradation of cable polymers: A comparison between the mechanical properties of industrial and neat EPDM
AbstractThe mechanical properties of industrial and neat Ethylene Propylene Diene Monomer (EPDM) polymers, aged under Îł-irradiation at different temperatures, are studied. The focus is given to the dose rate effects in polymer insulation materials, so the ageing is performed in the wide range of dose rates, doses and temperatures. Industrial EPDM samples are extracted from the cables in use in Belgian Nuclear Power Plants (NPP), and the neat EPDM samples are produced in the laboratory. The mechanical tests of non-aged and aged polymers are performed, and the methodology of estimating the polymer life time is discussed. The ultimate tensile stress and elongation at break are found to be strongly affected by both irradiation condition and temperature. The ultimate tensile stress clearly exhibits the dose rate effect observed through the shift of the crossover between cross-linking to chain scission process as a function of the dose. This crossover shifts to high dose for large dose rates, while the opposite is observed by increasing the temperature. Dose rate effect is less evident in the elongation at break data, probably because both cross-linking and chain scission affect the elongation at break in the same way, by decreasing it. In comparison to industrial EPDM aged under the same conditions, the cross-linking to chain scission crossover appears at lower dose in neat polymer and the elongation at break decreases faster by increasing the dose. In addition, the elongation at break experimental results can be modeled by changing single parameter, namely pre-exponential factor of the irradiation rate constant. This confirms that both aging processes, cross-linking and chain scission affect the elongation at break in a similar way, by deteriorating network structure responsible for polymer elastic properties. Irradiation rate constant is found to follow the square root dependence for industrial EPDM, while the linear dependence is observed for the neat EPDM. This indicates the existence of different degradation processes in these two polymers