Mössbauer spectroscopy in the investigation of new mineral–related materials

New materials based on the composition of the mineral schafarzikite, FeSb $_{2}\textit {O}_{4}$ , have been synthesised. $^{57}$ Fe- and $^{121}$ Sb- Mössbauer spectroscopy shows that iron is present as Fe $^{2+}$ and that antimony is present as Sb $^{3+}$ . The presence of Pb $^{2+}$ on the antimony sites in materials of composition FeSb $_{1.5}$ Pb $_{0.5}\textit {O}_{4}$ induces partial oxidation of Fe $^{2+}_{}$ to Fe $^{3+}$ . The quasi-one-dimensional magnetic structure of schafarzikite is retained in FeSb $_{1.5}$ Pb $_{0.5}\textit {O}_{4}$ and gives rise to weakly coupled non-magnetic Fe $^{2+}$ ions coexisting with Fe $^{3+}$ ions in a magnetically ordered state. A similar model can be applied to account for the spectra recorded from the compound Co $_{0.5}$ Fe $_{0.5}$ Sb $_{1.5}$ Pb $_{0.5}\textit {O}_{4}$ .     

Influence of temperature on the electric,dielectric and AC conductivity properties of nano-crystalline zinc substituted cobalt ferrite synthesized by solution combustion technique

Cobalt–zinc nanoferrites with formulae Co $_{1-x}$ Zn $_{x}$ Fe $_{2}$ O $_{4}$ , where x = 0.0, 0.1, 0.2 and 0.3, have been synthesized by solution combustion technique. The variation of DC resistivity with temperature shows the semiconducting behavior of all nanoferrites. The dielectric properties such as dielectric constant ( $\varepsilon $ ’) and dielectric loss tangent (tan $\delta )$ are investigated as a function of temperature and frequency. Dielectric constant and loss tangent are found to be increasing with an increase in temperature while with an increase in frequency both, $\varepsilon $ ’ and tan $\delta $ , are found to be decreasing. The dielectric properties have been explained on the basis of space charge polarization according to Maxwell–Wagner’s two-layer model and the hopping of charge between Fe $^{2+}$ and Fe $^{3+}$ . Further, a very high value of dielectric constant and a low value of tan $\delta $ are the prime achievements of the present work. The AC electrical conductivity ( $\sigma _\mathrm{AC})$ is studied as a function of temperature as well as frequency and $\sigma _\mathrm{AC}$ is observed to be increasing with the increase in temperature and frequency.     

Separation efficiency of the MASHA facility for short-lived mercury isotopes

The mass-separator MASHA built to identify Super Heavy Elements by their mass-to-charge ratios is described. The results of the off- and on-line measurements of its separation efficiency are presented. In the former case four calibrated leaks of noble gases were used. In the latter the efficiency was measured via 284 MeV $^{40}$ Ar beam and with using the hot catcher. The ECR ion source was used in both cases. The $\alpha $ -radioactive isotopes of mercury produced in the complete fusion reaction $^{40}$ Ar+ $^{144}$ Sm $\rightarrow ^{184-xn}$ Hg+xn were detected at the mass-separator focal plane. The half-lives and the separation efficiency for the short-lived mercury isotopes were measured. Potentialities of the MEDIPIX detector system have been demonstrated for future use at the mass-separator MASHA.     

Structure of some FeII − III hydroxysalt green rusts (carbonate, oxalate, methanoate) from Mössbauer spectroscopy

The abundances of Fe^II and Fe^III environments within green rusts one, GR1s, that intercalate carbonate, oxalate and methanoate (formate) anions are found from Mössbauer spectra for compositions corresponding to [Fe $^{\rm II}_{6}$ Fe $^{\rm III}_{2}$ (OH)₁₆]^2?+??[CO $_{3}^{2-}$ ?5H₂O]^2???, [Fe $^{\rm II}_{4}$ Fe $^{\rm III}_{2}$ (OH)₁₂]^2?+??[CO $_{3}^{2-}$ ?3H₂O]^2???, [Fe $^{\rm II}_{6}$ Fe $^{\rm III}_{2}$ (OH)₁₆]^2?+??[C₂O $_{4}^{2-}$ ?4H₂O]^2??? and [Fe $^{\rm II}_{5}$ Fe $^{\rm III}_{2}$ (OH)₁₄]^2?+??[2HCOO^????3H₂O]^2???. These formulae correspond to orders α, β and γ where cation distances are (2 × a ₀), ( $\surd 3$ × a ₀) or a mixture of both leading to (7 × a ₀), where ratio x = {[Fe^III]/[Fe_total]} = 1/4, 1/3 and 2/7, respectively. Anion distributions within interlayers are also devised and long-range orders determined accordingly.     

All-carbon detector with buried graphite pillars in CVD diamond

A diamond detector of 3D architecture without any metallization is developed for spectroscopy of ionizing radiation and single particles detection. The carbon electrode system was fabricated using a femtosecond infrared laser ( $\lambda $ = 1,030 nm) to induce graphitization on the surface and inside 4.0  $\times $  4.0  $\times $  0.4 mm $^{3}$ single-crystal chemical vapor deposition diamond slab, resulting in an array of 84 buried graphite pillars of 30  $\upmu $ m diameter formed orthogonally to the surface and connected by surface graphite strips. Sensitivity to ionizing radiation with $^{90}$ Sr $\upbeta $ -source has been measured for the 3D detector and high charge collection efficiency is demonstrated.     

Structural evolution of nanopores and cracks as fundamental constituents of ultrashort pulse-induced nanogratings

We present an extensive study of the underlying structure of femtosecond laser-induced nanogratings in fused silica. To explore the evolution of the three-dimensional structure of the nanopores and cracks, of which the nanogratings consist, we performed small angle X-ray scattering measurements as well as focused ion beam milling and scanning electron microscopy. Our results show that cracks with dimensions of (280  $\times $  25  $\times $  380) nm $^{3}$ and nanopores with typical diameters of (30  $\times $  25  $\times $  75) nm $^{3}$ are formed independent of various illumination parameters. With increasing number of laser pulses the smaller pores fuse to larger structures. Furthermore, the data suggest a cross-sectional change of the pores from cuboidal to ellipsoidal.     

Waveguide laser modelling of Erbium/Ytterbium activated monoclinic double tungstates

Using the overlapping integral method, a rib waveguide laser of monoclinic potassium double tungstate, KRE $(\text{ WO}_{4})_{2}$ , co-doped with Erbium and Ytterbium has been modelled. The laser operation at 1.5 $\upmu $ m is based on an efficient pump scheme via the energy transfer from Yb $^{3+}$ to Er $^{3+}$ ions. The numerical simulation requires spectroscopic parameters of the ions involved and the waveguide geometry and index profiles. This model allows determining the laser power as a function of controllable parameters such as ions doping level, pump power, cavity length or reflectance of the input/output mirrors. It has been found that, for the standard doping level used in this matrix, the optimum cavity length is only few millimeters. Overall, using simulation tools is possible to optimize fabrication parameters, and thus saving effort in the development of experimental prototypes.     

Laser nanoablation of graphite

Experimental data on laser ablation of highly oriented pyrolitic graphite by nanosecond pulsed UV ( $\lambda =193$  nm) and green ( $\lambda =532$  nm) lasers are presented. It was found that below graphite vaporization threshold $\approx $ 1 J/cm $^{2}$ , the nanoablation regime can be realized with material removal rates as low as 10 $^{-3}$  nm/pulse. The difference between physical (vaporization) and physical–chemical (heating + oxidation) ablation regimes is discussed. Special attention is paid to the influence of laser fluence and pulse number on ablation kinetics. Possibility of laser-induced graphite surface nanostructuring has been demonstrated. Combination of tightly focused laser beam and sharp tip of scanning probe microscope was applied to improve material nanoablation.     

Terahertz generation by nonlinear mixing of laser and its second harmonic in a rippled density plasma

Terahertz radiation generation by second-order nonlinear mixing of laser $ (\omega_{1} ,\,\vec{k}_{1} ) $ and its frequency shifted second harmonic $ \omega_{2} = 2\omega_{1} - \omega ,\,\,\vec{k}_{2} \, $ $ (\omega \ll \omega_{1} ) $ in a plasma, in the presence of an obliquely inclined density ripple of wave number $ \vec{q} $ , are investigated. The lasers exert ponderomotive force on electrons and drive density perturbations at $ (2\omega_{1} ,\,2\vec{k}_{1} - \vec{q}) $ and $ (\omega_{1} - \omega_{2} ,\,\vec{k}_{1} - \vec{k}_{2} - \vec{q}) $ . These perturbations beat with the electron oscillatory velocities due to the lasers to produce a nonlinear current at $ \omega ,\,\vec{k} = 2\vec{k}_{1} - \vec{k}_{2} - \vec{q} $ , resonantly driving the terahertz radiation when $ \vec{q} $ satisfies the phase matching condition. The radiated THz intensity depends on the relative polarization of the lasers and scales as the square of intensity of the fundamental laser and linearly with the square root of the intensity of the second harmonic. The THz emission is maximized when the polarization of the lasers is aligned. These results are consistent with the recent experimental results.     

Growth of strongly textured FeCO 3 thin films for application in research of nuclear quantum optics with ultrashort-pulsed laser deposition

Growth of strongly textured $\mathrm{FeCO}_{3}$ thin films on substrates was achieved with ultrashort-pulsed laser deposition using 810-nm, 46-fs ablation pulses. The crystallinity and composition were verified with X-ray diffraction and Raman spectroscopy. Using Mössbauer spectroscopy, it is shown that the deposited $\mathrm{FeCO}_{3}$ thin films possess the film quality required for application in research of nuclear quantum optics. It is found that a relatively low substrate temperature is crucial for growing a strongly textured film of $\mathrm{FeCO}_{3}$ while avoiding decomposition of $\mathrm{FeCO}_{3}$ into $\mathrm{Fe}_{2}\mathrm{O}_{3}$ and $\mathrm{CO}_{2}$ . This supports the importance of the use of ultrashort-pulsed laser deposition in providing adatoms with high mobility for attaining good crystallinity. The surface morphology was characterized by surface profilometry, scanning electron microscopy and atomic force microscopy. It is found to be significantly affected by changing the ablation laser parameters, including laser fluence, pulse duration, and on-target spot size. The results show that the peak deposition flux must be below approximately 0.03 nm/pulse in order to grow a flat film.     

Dye-sensitized solar cells with PVA–KI–EC–PC gel electrolytes

Gel polymer electrolytes consisting of PVA–EC–PC–KI have been studied in this work. The highest room temperature (298 K) conductivity of 12.92 mS cm $^{-1}$ is obtained for PVA-based gel polymer electrolyte (GPE) with composition 14.5 PVA-21.7 EC-28.7 PC-30.4 KI-4.7 $\text{ I }_{2}$ (in wt%). The high conductivity is due to the highest number density of mobile ions in the electrolyte. The conductivity–temperature dependence follows the Vogel–Tamman–Fulcher (VTF) relationship. The trend of pseudoactivation energy $(E_{a})$ with salt concentration is contrary to that of conductivity. PVA-based GPEs with 5 to 35 wt% KI were used as a medium in ruthenium 535 (N719) dye-sensitized solar cells. The efficiency ( $\eta $ ) of the solar cells increased as the composition of KI salt in the electrolyte increased. The highest power conversion efficiency of 2.74 % is obtained for solar cells fabricated with electrolyte containing 35 wt% KI. The variation of efficiency follows the same trend as short circuit current density $(J_{sc})$ . The increase in $J_{sc}$ is influenced by the increase in iodide ion concentration in the electrolyte that assists the redox process and helps electron to shuttle between ionized dye and counter electrode.     

Pyrid-2-yl and 2-CyanoPhenyl fused heterocyclic compounds as human P2X_{3} inhibitors: a combined approach based on homology modelling,docking and QSAR analysis

P2X receptors are hetero-oligomeric proteins that function as membrane ion channels and are gated by extracellular ATP. The hP2X $_{3}$ subunit is a constituent of the channels on a subset of sensory neurons involved in pain signaling, where ATP released by damaged and inflamed tissue can initiate action potentials. Hence, the inhibition of ATP-activated P2X $_{3}$ receptor is an exciting approach for the treatment of inflammatory and neuropathic pain. Recently, the crystal structures of zebrafish P2X $_{4}$ (zP2X $_{4})$ were obtained in closed, apo state (PDB ID: 3I5D) and ATP-bound, open state (PDB ID: 4DW1). These structures were used to develop a homology model of human P2X $_{3}$ (hP2X $_{3})$ in order to identify through docking studies, the binding modes of known P2X $_{3}$ inhibitors and their key active site interactions, along with a pharmacophore-based 3D-QSAR model for a series of 136 Pyrid-2-yl and 2-CyanoPhenyl fused heterocyclic compounds. These 3D-QSAR models have been developed with different combinations of training and test set divisions obtained by random separation, Jarvis–Patrick clustering, K-means clustering and sphere exclusion methods. The best predictive 3D-QSAR model resulted in training set R $^{2 }$ of 0.75, internal test set Q $^{2}$ of 0.74, Pearson-R value of 0.87 and root mean square error of 0.37. The information generated by the pharmacophore model and docking analyses using the homology model provides valuable clues to design novel potent hP2X $_{3}$ inhibitors.     

Analysis of the {3\over 2}^{+} heavy and doubly heavy baryon states with QCD sum rules

In this article, we study the ${3\over 2}^{+}$ heavy and doubly heavy baryon states $\varXi^{*}_{cc}$ , $\varOmega^{*}_{cc}$ , $\varXi^{*}_{bb}$ , $\varOmega^{*}_{bb}$ , $\varSigma_{c}^{*}$ , $\varXi_{c}^{*}$ , $\varOmega_{c}^{*}$ , $\varSigma_{b}^{*}$ , $\varXi_{b}^{*}$ and $\varOmega_{b}^{*}$ by subtracting the contributions from the corresponding ${3\over 2}^{-}$ heavy and doubly heavy baryon states with the QCD sum rules, and we make reasonable predictions for their masses.     

Precision spectroscopy of antiprotonic helium

We survey recent progress in the theoretical study of vibrational transitions in the antiprotonic helium atom. Along with the latest experiment they allow to achieve a competitive accuracy in determination of the atomic mass of an electron and thus they have been included into the CODATA06 analysis of the fundamental constants. Improved theoretical calculation of the hyperfine structure in $^{4\!}\mbox{He}\bar{p}\/$ atom will be considered as well. We will discuss contributions of order $R_\infty\alpha^4$ to the electron spin-orbit interaction. These corrections are necessary to confirm the latest measurements of the 12.9 MHz intervals of the (n,l)?=?(37,35) state in $^4\mbox{He}^+\bar{p}$ and for precise determination of the antiproton magnetic moment.     

Spectroscopic properties of Ho 3 + -doped K–Sr–Al phosphate glasses

Trivalent holmium-doped K–Sr–Al phosphate glasses ( $\mathrm{P}_{2}\mathrm{O}_{5}$ – $\mathrm{K}_{2}\mathrm{O}$ –SrO– $\mathrm{Al}_{2}\mathrm{O}_{3}$ – $\mathrm{Ho}_{2}\mathrm{O}_{3}$ ) were prepared, and their spectroscopic properties have been evaluated using absorption, emission, and excitation measurements. The Judd–Ofelt theory has been used to derive spectral intensities of various absorption bands from measured absorption spectrum of 1.0 mol% $\mathrm{Ho}_{2}\mathrm{O}_{3}$ -doped K–Sr–Al phosphate glass. The Judd–Ofelt intensity parameters ( $\varOmega_{\lambda}$ , $\times10^{-20}~\mathrm{cm}^{2}$ ) have been determined of the order of $\varOmega_{2} = 11.39$ , $\varOmega_{4} = 3.59$ , and $\varOmega_{6} = 2.92$ , which in turn used to derive radiative properties such as radiative transition probability, radiative lifetime, branching ratios, etc. for excited states of $\mathrm{Ho}^{3+}$ ions. The radiative lifetimes for the ${}^{5}F_{4}$ , ${}^{5}S_{2}$ , and ${}^{5}F_{5}$ levels of $\mathrm{Ho}^{3+}$ ions are found to be 169, 296, and 317 μs, respectively. The stimulated emission cross-section for 2.05-μm emission was calculated by the McCumber theory and found to be $9.3\times10^{-2 1}~\mathrm{cm}^{2}$ . The wavelength-dependent gain coefficient with population inversion rate has been evaluated. The results obtained in the titled glasses are discussed systematically and compared with other $\mathrm{Ho}^{3+}$ -doped systems to assess the possibility for visible and infrared device applications.     

Formation and crystallization kinetics of Nd–Fe–B-based bulk amorphous alloy

In order to improve the glass-forming ability (GFA) of Nd–Fe–B ternary alloys to obtain fully amorphous bulk Nd–Fe–B-based alloy, the effects of Mo and Y doping on GFA of the alloys were investigated. It was found that the substitution of Mo for Fe and Y for Nd enhanced the GFA of the Nd–Y–Fe–Mo–B alloys. It was also revealed that the GFA of the samples was optimized by 4 at.% Mo doping and increased with the Y content. The fully amorphous structures were all formed in the Nd $_{6-{x}}$ Y $_{{x}}$ Fe $_{68}$ Mo $_{4}$ B $_{22}$ (x $=$ 1–5) alloy rods with 1.5 mm-diameter. After subsequent crystallization, the devitrified Nd $_{3}$ Y $_{3}$ Fe $_{68}$ Mo $_{4}$ B $_{22}$ alloy rod exhibited a uniform distribution of grains with a coercivity of 364.1 kA/m. The crystallization behavior of Nd $_{3}$ Y $_{3}$ Fe $_{68}$ Mo $_{4}$ B $_{22}$ BMG was investigated in isothermal situation. The Avrami exponent n determined by JAM plot is lower than 2.5, implying that the crystallization is mainly governed by a growth of particles with decreasing nucleation rate.     

Local structure of Fe-doped In 2 O 3 films investigated by X-ray absorption fine structure spectroscopy

$(\mathrm{In}_{1-x}\mathrm{Fe}_{x})_{2}\mathrm{O}_{3}$ $(x=0.07, 0.09, 0.16, 0.22, 0.31)$ films were deposited on Si (100) substrates by RF-magnetron sputtering technique. The influence of Fe doping on the local structure of films was investigated by X-ray absorption spectroscopy (XAS) at Fe K-edge and L-edge. For the $(\mathrm{In}_{1-x}\mathrm{Fe}_{x})_{2}\mathrm{O}_{3}$ films with $x=0.07, 0.09 \mbox{ and } 0.16$ , Fe ions dissolve into $\mathrm{In}_{2}\mathrm{O}_{3}$ and substitute for $\mathrm{In}^{3+}$ sites with a mixed-valence state ( $\mathrm{Fe}^{2+}/\mathrm{Fe}^{3+}$ ) of Fe ions. However, a secondary phase of Fe metal clusters is formed in the $(\mathrm{In}_{1-x}\mathrm{Fe}_{x})_{2}\mathrm{O}_{3}$ films with $x=0.22 \mbox{ and } 0.31$ . The qualitative analyses of Fe-K edge extended X-ray absorption fine structure (EXAFS) reveal that the Fe–O bond length shortens and the corresponding Debye–Waller factor ( $\sigma^{2}$ ) increases with the increase of Fe concentration, indicating the relaxation of oxygen environment of Fe ions upon substitution. The anomalously large structural disorder and very short Fe–O distance are also observed in the films with high Fe concentration. Linear combination fittings at Fe L-edge further confirm the coexistence of $\mathrm{Fe}^{2+}$ and $\mathrm{Fe}^{3+}$ with a ratio of ${\sim}3:2$ ( $\mathrm{Fe}^{2+}: \mathrm{Fe}^{3+}$ ) for the $(\mathrm{In}_{1-x}\mathrm{Fe}_{x})_{2}\mathrm{O}_{3}$ film with $x=0.16$ . However, a significant fraction ( ${\sim}40~\mbox{at\%}$ ) of the Fe metal clusters is found in the $(\mathrm{In}_{1-x}\mathrm{Fe}_{x})_{2}\mathrm{O}_{3}$ film with $x=0.31$ .     

Analysis of the \frac{1} {2}^ - and \frac{3} {2}^ - heavy and doubly heavy baryon states with QCD sum rules

In this article, we study the $\frac{1} {2}^ -$ and $\frac{3} {2}^ -$ heavy and doubly heavy baryon states $\Sigma _Q \left( {\frac{1} {2}^ - } \right)$ , $\Xi '_Q \left( {\frac{1} {2}^ - } \right)$ , $\Omega _Q \left( {\frac{1} {2}^ - } \right)$ , $\Xi _{QQ} \left( {\frac{1} {2}^ - } \right)$ , $\Omega _{QQ} \left( {\frac{1} {2}^ - } \right)$ , $\Sigma _Q^* \left( {\frac{3} {2}^ - } \right)$ , $\Xi _Q^* \left( {\frac{3} {2}^ - } \right)$ , $\Omega _Q^* \left( {\frac{3} {2}^ - } \right)$ , $\Xi _{QQ}^* \left( {\frac{3} {2}^ - } \right)$ and $\Omega _{QQ}^* \left( {\frac{3} {2}^ - } \right)$ by subtracting the contributions from the corresponding $\frac{1} {2}^ +$ and $\frac{3} {2}^ +$ heavy and doubly heavy baryon states with the QCD sum rules in a systematic way, and make reasonable predictions for their masses.     

Resonant cavity enhanced quantum ring photodetector at 20\,\upmu m wavelength

In this paper, in order to enhance the performance characteristics of photodetector, an InAs/GaAs quantum ring infrared photodetector (QRIP) with resonant cavity structure is proposed. For this purpose, distributed bragg reflectors (DBR) in the bottom of structure are used to reflect the transmitted beam back into the active region. For further confinement of light in the active region, a gold layer is added to structure as top reflector and the performance of structures is compared with and without top reflector. Numerical simulation results show that using resonant cavity structure can improve quantum efficiency and responsivity of photodetector. Furthermore, the specific detectivity of device can increase about one order of magnitude using resonant cavity structure. Results show specific detectivity, $\hbox {D}^{*}$ , about $\sim $ 10 $^{11}\,(\hbox {cm}\,\hbox {Hz}^{1/2}\hbox {/W})$ for conventional QRIP and $\sim $ 10 $^{12}\,(\hbox {cm}\,\hbox {Hz}^{1/2}\hbox {/W})$ for conventional QRIP embedded in resonant cavity. As a result of enhancement in detectivity, the operation temperature of detector can be increased up to about 150 K.     

Structure and optical property changes of Nb_{2}O_{5} particles by Q-switched laser pulses in water

Monoclinic H-type Nb $_{2}$ O $_{5}$ powders subjected to Q-switched laser pulses in water were characterized by X-ray/electron diffraction and optical spectroscopy to have a significant optical property change with accompanied transformation into orthorhombic T-, pseudohexagonal TT-type and an amorphous phase. The T-Nb $_{2}$ O $_{5}$ nanoparticles were (100), (010), (001) and ( $\overline{2} $ 01) faceted and commonly in oriented intergrowth with TT-type or amorphized domains retaining the polymerized block units of the relic H-type. Such multiple-phase nanoparticles were hydrogenated and densified to modify Raman and FTIR bands and to show visible absorptions corresponding to a broad minimum band gap of 2.3–2.8 eV for potential opto-catalytic and electrochromic applications.