Is Sm3Fe5O12 Really Cubic at Room Temperature?

A sample of Sm3Fe5O12 was sintered from corresponding mixed hydroxides that were obtained by coprecipitation of mixed nitrates. The x-ray diffraction experiment was done with monochromatized CuKα radiation at room temperature. The sample crystallizes in the garnet structure type. The iron ions occupy both the tetrahedral and octahedral positions, while the samarium cations occupy the dodecahedral position. The refinements were done in the cubic space group Ia3d and the rhombohedral space group R-3c with a hexagonal axis. Note that the group R-3c is a subgroup of the symmetry group of the magnetic moment and subgroup of the Ia3d group. The transformation of the refined atomic coordinates from the group Ia3d into the group R-3c gives the same values, within the sum of standard deviations, as the values obtained from the refinement in the rhombohedral space group. The Debye temperatures, obtained from thermal displacement B-factors, are 320 and 560 K from the refinements in the cubic and the rhombohedral space group, respectively. The later temperature agrees with the Debye temperature obtained by independent measurements

Isomer specific spectroscopy of metal clusters trapped in a matrix: Ag9

Clusters of metal atoms at a fixed size can assume different structural arrangements, known as isomers, which may have nearly the same energy. Therefore at given experimental conditions distribution of these isomers can be present. While the size selection is a relatively common technique, the isomer selection is not; it is therefore more difficult to obtain information about a single isomer. We report here on isomer specific spectroscopy of Ag9 clusters together with ab initio calculations allowing to identify the isomer responsible for the measured excitation pattern and fluorescence

Optical conductivity and vibrational spectra of the narrow-gap semiconductor FeGa3_3

Intermetallic narrow-gap semiconductors have been intensively explored due to their large thermoelectric power at low temperatures and a possible role of strong electronic correlations in their unusual thermodynamic and transport properties. Here we study the optical spectra and vibrational properties of $\mathrm{FeGa_3}$ single crystal. The optical conductivity indicates that $\mathrm{FeGa_3}$ has a direct band gap of $\sim 0.7$\,eV, consistent with density functional theory (DFT) calculations. Most importantly, we find a substantial spectral weight also below 0.4~eV, which is the energy of the indirect (charge) gap found in resistivity measurements and ab initio calculations. We find that the spectral weight below the gap decreases with increasing temperature, which indicates that it originates from the impurity states and not from the electronic correlations. Interestingly, we did not find any signatures of the impurity states in vibrational spectra. The infrared and Raman vibrational lines are narrow and weakly temperature dependent. The vibrational frequencies are in excellent agreement with our DFT calculations, implying a modest role of electronic correlations. Narrow M\" ossbauer spectral lines also indicate high crystallinity of the sample

Ultra-High and Near-Zero Refractive Indices of Magnetron Sputtered Thin-Film Metamaterials Based on TixOy

Metamaterials based on TixOy with ultra-high and near-zero refractive indices were obtained by DC magnetron sputtering. The data on refractive indices, extinction coefficients, film thickness, and band gaps, obtained by spectroscopic ellipsometry, showed very high potential of these materials as metamaterials. Phase analysis performed by XRD revealed the presence of titanium phases with lower titanium oxidation states resulting from high concentration of oxygen vacancies, which are crucial for such extraordinary jumps and drops of refractive indices. Numerous band gaps for direct and indirect electron transitions additionally confirmed unique properties of these materials

Li2FeSiO4 cathode material: the structure and electrochemical performances

Monoclinic Li2FeSiO4 that crystallizes in P21/n space group was investigated as a potential cathode material for lithium-ion batteries. A combined X-ray diffraction and Mössbauer spectroscopy study was used for the structural investigation. It was found that the crystal structure is prone to an “antisite” defect, the one in which the Fe ion and the Li ion exchange places. This finding was also confirmed by the Mössbauer spectroscopy. In order to obtain composites of Li2FeSiO4 and carbon, several synthesis techniques that use different carbon sources were involved. Electrochemical performances were investigated through galvanostatic charge/discharge tests. Discharge curve profile did not reflect a two-phase intercalation reaction (no obvious voltage plateau) due to the low conductivity at room temperature

Comparison of Three Ratiometric Temperature Readings from the Er3+ Upconversion Emission

The emission of Er3+ provides three combinations of emission bands suitable for ratiometric luminescence thermometry. Two combinations utilize ratios of visible emissions (2H11/2→4I15/2 at 523 nm/ 4S3/2→4I15/2 at 542 nm and 4F7/2→4I15/2 at 485 nm/ 4S3/2→4I15/2 at 545 nm), while emissions from the third combination are located in near-infrared, e.g., in the first biological window (2H11/2→4I13/2 at 793 nm/ 4S3/2→4I13/2 at 840 nm). Herein, we aimed to compare thermometric performances of these three different ratiometric readouts on account of their relative sensitivities, resolutions, and repeatability of measurements. For this aim, we prepared Yb3+,Er3+:YF3 nanopowders by oxide fluorination. The structure of the materials was confirmed by X-ray diffraction analysis and particle morphology was evaluated from FE-SEM measurements. Upconversion emission spectra were measured over the 293–473 K range upon excitation by 980 nm radiation. The obtained relative sensitivities on temperature for 523/542, 485/542, and 793/840 emission intensity ratios were 1.06 ± 0.02, 2.03 ± 0.23, and 0.98 ± 0.10%K−1 with temperature resolutions of 0.3, 0.7, and 1.8 K, respectively. The study showed that the higher relative temperature sensitivity does not necessarily lead to the more precise temperature measurement and better resolution, since it may be compromised by a larger uncertainty in measurement of low-intensity emission bands

Determination of Microstructural Changes By Severely Plastically Deformed Copper-Aluminum Alloy: Optical Study

Our work deals with the problem of producing a complex metal-ceramic composite using the processes of internal oxidation (IO) and severe plastic deformation. For this purpose, Cu-Al alloy with 0.4wt.% of Al was used. IO of sample serves in the first step of the processing as a means for attaining a fine dispersion of nanosized oxide particles in the metal matrix. Production technology continues with repeated application of severe plastic deformation (SPD) of the resulting metal-matrix composite to produce the bulk nanoscaled structural material. SPD was carried out with equal channel angular pressing (ECAP), which allowed that the material could be subjected to an intense plastic strain through simple shear. Microstructural characteristics of one phase and multiphase material was studied on internally oxidized Cu with 0.4wt.% of Al sample composed of one phase copper-aluminum solid solution in the core and fine dispersed oxide particles in the same matrix in the mantle region. In this manner AFM, X-ray diffraction and Raman spectroscopy were used. Local structures in plastically deformed samples reflect presence of Cu, CuO, Cu2O, Cu4O3 or Al2O3 structural characteristics, depending on type of sample

Time Resolved Photoelectron Spectroscopy of Thioflavin T Photoisomerization: A Simulation Study

The excited state isomerization of thioflavin T (ThT) is responsible for the quenching of its fluorescence in a non-restricted environment. The fluorescence quantum yield increases substantially upon binding to amyloid fibers. Simulations reveal that the variation of the twisting angle between benzothiazole and benzene groups (ϕ(1)) is responsible for the sub-picosecond fluorescence quenching. The evolution of the twisting process can be directly probed by photoelectron emission with energies ε ≥ 1.0 eV before the molecule reaches the ϕ(1)-twisted configuration (~300 fs)

Silver cluster induced absorption enhancement and conformation control of peptides

We present a theoretical study of the structural and optical properties of isolated silver cluster-tripeptide hybrid systems. We show that small silver clusters induce enhancement of the optical absorption of peptides. Moreover, silver clusters bound to peptides can reduce the conformational flexibility and invoke changes of the secondary structure. Thus, they might serve as local optical probes in biolabelling applications