An Empirical Approach to the Bond Additivity Model in Quantitative Interpretation of Sum Frequency Generation Vibrational Spectra

A complete empirical approach from known Raman and IR spectra is used to make corrections to the bond additivity model for quantitative interpretation of Sum Frequency generation Vibrational Spectra (SFG-VS) from molecular interfaces. This empirical correction successfully addresses the failures of the simple bond additivity model. This empirical approach not only provides new understandings of the effectiveness and limitations of the bond additivity model, but also provides a practical roadmap for its application in SFG-VS studies of molecular interfaces

Why Some Interfaces Cannot be Sharp

A central goal of modern materials physics and nanoscience is control of materials and their interfaces to atomic dimensions. For interfaces between polar and non-polar layers, this goal is thwarted by a polar catastrophe that forces an interfacial reconstruction. In traditional semiconductors this reconstruction is achieved by an atomic disordering and stoichiometry change at the interface, but in multivalent oxides a new option is available: if the electrons can move, the atoms don`t have to. Using atomic-scale electron energy loss spectroscopy we find that there is a fundamental asymmetry between ionically and electronically compensated interfaces, both in interfacial sharpness and carrier density. This suggests a general strategy to design sharp interfaces, remove interfacial screening charges, control the band offset, and hence dramatically improving the performance of oxide devices.Comment: 12 pages of text, 6 figure

Evidence for a Low-Spin to Intermediate-Spin State Transition in LaCoO3

We present measurements of the magnetic susceptibility and of the thermal expansion of a LaCoO$_3$ single crystal. Both quantities show a strongly anomalous temperature dependence. Our data are consistently described in terms of a spin-state transition of the Co$^{3+}$ ions with increasing temperature from a low-spin ground state to an intermediate-spin state without (100K - 500K) and with (>500K) orbital degeneracy. We attribute the lack of orbital degeneracy up to 500K to (probably local) Jahn-Teller distortions of the CoO$_6$ octahedra. A strong reduction or disappearance of the Jahn-Teller distortions seems to arise from the insulator-to-metal transition around 500 K.Comment: an error in the scaling factor of Eq.(4) and consequently 2 values of table I have been corrected. The conclusions of the paper remain unchanged. See also: C. Zobel et al. Phys. Rev. B 71, 019902 (2005) and J. Baier et al. Phys. Rev. B 71, 014443 (2005

Electronic and magnetic states in doped LaCoO_3

The electronic and magnetic states in doped perovskite cobaltites, (La, Sr)CoO_3, are studied in the numerically exact diagonalization method on Co_2O_{11} clusters. For realistic parameter values, it is shown that a high spin state and an intermediate spin state coexist in one-hole doped clusters due to strong p-d mixing. The magnetic states in the doped cobaltites obtained in the calculation explain various experimental results.Comment: 4 pages, 2 figures, epsfj.st

Magnetic phase diagram of cubic perovskites SrMn_1-xFe_xO_3

We combine the results of magnetic and transport measurements with Mossbauer spectroscopy and room-temperature diffraction data to construct the magnetic phase diagram of the new family of cubic perovskite manganites SrMn_1-xFe_xO_3. We have found antiferromagnetic ordering for lightly and heavily Fe-substituted material, while intermediate substitution leads to spin-glass behavior. Near the SrMn_0.5Fe_0.5O_3 composition these two types of ordering are found to coexist and affect one another. The spin glass behavior may be caused by competing ferro- and antiferromagnetic interactions among Mn^4+ and observed Fe^3+ and Fe^5+ ions.Comment: 8 pages, 10 figures, revtex, accepted to Phys. Rev.

Microscopic modelling of doped manganites

Colossal magneto-resistance manganites are characterised by a complex interplay of charge, spin, orbital and lattice degrees of freedom. Formulating microscopic models for these compounds aims at meeting to conflicting objectives: sufficient simplification without excessive restrictions on the phase space. We give a detailed introduction to the electronic structure of manganites and derive a microscopic model for their low energy physics. Focussing on short range electron-lattice and spin-orbital correlations we supplement the modelling with numerical simulations.Comment: 20 pages, 10 figs, accepted for publ. in New J. Phys., Focus issue on Orbital Physic

Orbital ordering in the manganites: resonant x-ray scattering predictions at the manganese LII and LIII edges

It is proposed that the observation of orbital ordering in manganite materials should be possible at the L II and L III edges of manganese using x-ray resonant scattering. If performed, dipole selection rules would make the measurements much more direct than the disputed observations at the manganese K edge. They would yield specific information about the type and mechanism of the ordering not available at the K edge, as well as permitting the effects of orbital ordering and Jahn-Teller ordering to be detected and distinguished from one another. Predictions are presented based on atomic multiplet calculations, indicating distinctive dependence on energy, as well as on polarization and on the azimuthal angle around the scattering vector

Optical spin-to-orbital angular momentum conversion in inhomogeneous anisotropic media

We demonstrate experimentally an optical process in which the spin angular momentum carried by a circularly polarized light beam is converted into orbital angular momentum, leading to the generation of helical modes with a wavefront helicity controlled by the input polarization. This phenomenon requires the interaction of light with matter that is both optically inhomogeneous and anisotropic. The underlying physics is also associated with the so-called Pancharatnam-Berry geometrical phases involved in any inhomogeneous transformation of the optical polarization

Interleukin-1 regulates multiple atherogenic mechanisms in response to fat feeding

Background: Atherosclerosis is an inflammatory process that develops in individuals with known risk factors that include hypertension and hyperlipidaemia, influenced by diet. However, the interplay between diet, inflammatory mechanisms and vascular risk factors requires further research. We hypothesised that interleukin-1 (IL-1) signaling in the vessel wall would raise arterial blood pressure and promote atheroma. Methodology/Principal Findings: Apoe(-/-) and Apoe(-/-)/IL-1R1(-/-) mice were fed high fat diets for 8 weeks, and their blood pressure and atherosclerosis development measured. Apoe(-/-)/IL-R1(-/-) mice had a reduced blood pressure and significantly less atheroma than Apoe(-/-) mice. Selective loss of IL-1 signaling in the vessel wall by bone marrow transplantation also reduced plaque burden (p<0.05). This was associated with an IL-1 mediated loss of endothelium-dependent relaxation and an increase in vessel wall Nox 4. Inhibition of IL-1 restored endothelium-dependent vasodilatation and reduced levels of arterial oxidative stress. Conclusions/Significance: The IL-1 cytokine system links atherogenic environmental stimuli with arterial inflammation, oxidative stress, increased blood pressure and atherosclerosis. This is the first demonstration that inhibition of a single cytokine can block the rise in blood pressure in response to an environmental stimulus. IL-1 inhibition may have profound beneficial effects on atherogenesis in man