Optical band gap studies on lithium aluminum silicate glasses doped with Cr3+ ions

NASA Astrophysics Data System (ADS)

El-Diasty, Fouad; Abdel Wahab, Fathy A.; Abdel-Baki, Manal

2006-11-01

Lithium aluminum silicate glass system (LAS) implanted with chromium ions is prepared. The reflectance and transmittance measurements are used to determine the dispersion of absorption coefficient. The optical data are explained in terms of the different oxidation states adopted by the chromium ions into the glass network. It is found that the oxidation state of the chromium depends on its concentration. Across a wide spectral range, 0.2-1.6μm, analysis of the fundamental absorption edge provides values for the average energy band gaps for allowed direct and indirect transitions. The optical absorption coefficient just below the absorption edge varies exponentially with photon energy indicating the presence of Urbach's tail. Such tail is decreased with the increase of the chromium dopant. From the analysis of the optical absorption data, the absorption peak at ground state exciton energy, the absorption at band gap, and the free exciton binding energy are determined. The extinction coefficient data are used to determine the Fermi energy level of the studied glasses. The metallization criterion is obtained and discussed exploring the nature of the glasses. The measured IR spectra of the different glasses are used to throw some light on the optical properties of the present glasses correlating them with their structure and composition.

Optical gain coefficients of silicon: a theoretical study

NASA Astrophysics Data System (ADS)

Tsai, Chin-Yi

2018-05-01

A theoretical model is presented and an explicit formula is derived for calculating the optical gain coefficients of indirect band-gap semiconductors. This model is based on the second-order time-dependent perturbation theory of quantum mechanics by incorporating all the eight processes of photon/phonon emission and absorption between the band edges of the conduction and valence bands. Numerical calculation results are given for Si. The calculated absorption coefficients agree well with the existing fitting formula of experiment data with two modes of phonons: optical phonons with energy of 57.73 meV and acoustic phonons with energy of 18.27 meV near (but not exactly at) the zone edge of the X-point in the dispersion relation of phonons. These closely match with existing data of 57.5 meV transverse optical (TO) phonons at the X4-point and 18.6 meV transverse acoustic (TA) phonons at the X3-point of the zone edge. The calculated results show that the material optical gain of Si will overcome free-carrier absorption if the energy separation of quasi-Fermi levels between electrons and holes exceeds 1.15 eV.

EDGES result versus CMB and low-redshift constraints on ionization histories

NASA Astrophysics Data System (ADS)

Witte, Samuel; Villanueva-Domingo, Pablo; Gariazzo, Stefano; Mena, Olga; Palomares-Ruiz, Sergio

2018-05-01

We examine the results from the Experiment to Detect the Global Epoch of Reionization Signature (EDGES), which has recently claimed the detection of a strong absorption in the 21 cm hyperfine transition line of neutral hydrogen, at redshifts demarcating the early stages of star formation. More concretely, we study the compatibility of the shape of the EDGES absorption profile, centered at a redshift of z ˜17.2 , with measurements of the reionization optical depth, the Gunn-Peterson optical depth, and Lyman-α emission from star-forming galaxies, for a variety of possible reionization models within the standard Λ CDM framework (that is, a Universe with a cosmological constant Λ and cold dark matter CDM). When, conservatively, we only try to accommodate the location of the absorption dip, we identify a region in the parameter space of the astrophysical parameters that successfully explains all of the aforementioned observations. However, one of the most abnormal features of the EDGES measurement is the absorption amplitude, which is roughly a factor of 2 larger than the maximum allowed value in the Λ CDM framework. We point out that the simple considered astrophysical models that produce the largest absorption amplitudes are unable to explain the depth of the dip and of reproducing the observed shape of the absorption profile.

Modification of fluorescence and optical properties of Rhodamine B dye doped PVA/Chitosan polymer blend films

NASA Astrophysics Data System (ADS)

Padmakumari, R.; Ravindrachary, V.; Mahantesha, B. K.; Sagar, Rohan N.; Sahanakumari, R.; Bhajantri, R. F.

2018-05-01

Pure and Rhodamine B doped Poly (vinyl alcohol)/Chitosan composite films are prepared using solution casting method. Fourier transforms infrared spectra (FTIR), Ultraviolet-Visible (UV-Vis), fluorescence studies were used to characterize the prepared polymer films. The FT-IR results show that the appearance of new peaks along with shift in peak positions indicates the interaction of Rhodamine B with PVA-CS blend. Optical absorption edge, band gap and activation energy were determined from UV-Visible studies. The optical absorption edge increases, band gap decreases and activation energy increases with dopant concentration respectively. The corresponding emission spectra were studied using fluorescence spectroscopy. From the fluorescence study the quenching phenomena are observed in emission wavelength range of 607nm-613nm upon excitation with absorption maxima 443nm.

Multi-epoch Detections of Water Ice Absorption in Edge-on Disks around Herbig Ae Stars: PDS 144N and PDS 453

NASA Astrophysics Data System (ADS)

Terada, Hiroshi; Tokunaga, Alan T.

2017-01-01

We report the multi-epoch detections of water ice in 2.8-4.2 μ {{m}} spectra of two Herbig Ae stars, PDS 144N (A2 IVe) and PDS 453 (F2 Ve), which have an edge-on circumstellar disk. The detected water ice absorption is found to originate from their protoplanetary disks. The spectra show a relatively shallow absorption of water ice of around 3.1 μ {{m}} for both objects. The optical depths of the water ice absorption are ˜0.1 and ˜0.2 for PDS 144N and PDS 453, respectively. Compared to the water ice previously detected in low-mass young stellar objects with an edge-on disk with a similar inclination angle, these optical depths are significantly lower. It suggests that stronger UV radiation from the central stars effectively decreases the water ice abundance around the Herbig Ae stars through photodesorption. The water ice absorption in PDS 453 shows a possible variation of the feature among the six observing epochs. This variation could be due to a change of absorption materials passing through our line of sight to the central star. The overall profile of the water ice absorption in PDS 453 is quite similar to the absorption previously reported in the edge-on disk object d216-0939, and this unique profile may be seen only at a high inclination angle in the range of 76°-80°.

Mechanism of Pressure-Induced Phase Transitions, Amorphization, and Absorption-Edge Shift in Photovoltaic Methylammonium Lead Iodide.

PubMed

Szafrański, Marek; Katrusiak, Andrzej

2016-09-01

Our single-crystal X-ray diffraction study of methylammonium lead triiodide, MAPbI3, provides the first comprehensive structural information on the tetragonal phase II in the pressure range to 0.35 GPa, on the cubic phase IV stable between 0.35 and 2.5 GPa, and on the isostructural cubic phase V observed above 2.5 GPa, which undergoes a gradual amorphization. The optical absorption study confirms that up to 0.35 GPa, the absorption edge of MAPbI3 is red-shifted, allowing an extension of spectral absorption. The transitions to phases IV and V are associated with the abrupt blue shifts of the absorption edge. The strong increase of the energy gap in phase V result in a spectacular color change of the crystal from black to red around 3.5 GPa. The optical changes have been correlated with the pressure-induced strain of the MAPbI3 inorganic framework and its frustration, triggered by methylammonium cations trapped at random orientations in the squeezed voids.

Infrared study of the absorption edge of {beta}-InN films grown on GaN/MgO structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perez-Caro, M.; Rodriguez, A. G.; Vidal, M. A.

2010-07-15

Infrared optical studies were carried out in a group of cubic InN samples grown by gas source molecular beam epitaxy on MgO (001) substrates. Room temperature (RT) reflectance and low-temperature (LT) transmittance measurements were performed by using fast Fourier transform infrared spectrometry. Reflectance fittings allowed to establish that {beta}-InN films have large free-carrier concentrations present (>10{sup 19} cm{sup -3}), a result that is corroborated by Hall effect measurements. Each sample explored exhibited a different optical absorption edge. The Varshni parameters that describe adequately the optical absorption edge responses with temperature are obtained for the set of samples studied. The observedmore » temperatures changes, from LT to RT, are the lowest reported for III-V semiconductor binary compounds. The temperature coefficient of the conduction band depends on the strength of the electron-phonon interaction (e-ph-i), as well as on the thermal expansion. It has been predicted that cubic InN has one of the smallest e-ph-i of all III-V compounds, which is corroborated by these results. The variation in values of absorption edges is clearly consistent with the Burstein-Moss and band renormalization effects, produced by high free electron concentrations. It is shown that the conduction band in {beta}-InN, analogous to wurtzite InN, follows a nonparabolic behavior.« less

Infrared study of the absorption edge of β-InN films grown on GaN/MgO structures

NASA Astrophysics Data System (ADS)

Pérez-Caro, M.; Rodríguez, A. G.; Vidal, M. A.; Navarro-Contreras, H.

2010-07-01

Infrared optical studies were carried out in a group of cubic InN samples grown by gas source molecular beam epitaxy on MgO (001) substrates. Room temperature (RT) reflectance and low-temperature (LT) transmittance measurements were performed by using fast Fourier transform infrared spectrometry. Reflectance fittings allowed to establish that β-InN films have large free-carrier concentrations present (>1019 cm-3), a result that is corroborated by Hall effect measurements. Each sample explored exhibited a different optical absorption edge. The Varshni parameters that describe adequately the optical absorption edge responses with temperature are obtained for the set of samples studied. The observed temperatures changes, from LT to RT, are the lowest reported for III-V semiconductor binary compounds. The temperature coefficient of the conduction band depends on the strength of the electron-phonon interaction (e-ph-i), as well as on the thermal expansion. It has been predicted that cubic InN has one of the smallest e-ph-i of all III-V compounds, which is corroborated by these results. The variation in values of absorption edges is clearly consistent with the Burstein-Moss and band renormalization effects, produced by high free electron concentrations. It is shown that the conduction band in β-InN, analogous to wurtzite InN, follows a nonparabolic behavior.

Temperature studies of optical parameters of (Ag3AsS3)0.6(As2S3)0.4 thin films prepared by rapid thermal evaporation and pulse laser deposition

NASA Astrophysics Data System (ADS)

Studenyak, I. P.; Kutsyk, M. M.; Buchuk, M. Yu.; Rati, Y. Y.; Neimet, Yu. Yu.; Izai, V. Yu.; Kökényesi, S.; Nemec, P.

2016-02-01

(Ag3AsS3)0.6(As2S3)0.4 thin films were deposited using rapid thermal evaporation (RTE) and pulse laser deposition (PLD) techniques. Ag-enriched micrometre-sized cones (RTE) and bubbles (PLD) were observed on the thin film surface. Optical transmission spectra of the thin films were studied in the temperature range 77-300 K. The Urbach behaviour of the optical absorption edge in the thin films due to strong electron-phonon interaction was observed, the main parameters of the Urbach absorption edge were determined. Temperature dependences of the energy position of the exponential absorption edge and the Urbach energy are well described in the Einstein model. Dispersion and temperature dependences of refractive indices were analysed; a non-linear increase of the refractive indices with temperature was revealed. Disordering processes in the thin films were studied and compared with bulk composites, the differences between the thin films prepared by RTE and PLD were analysed.

Optically Unraveling the Edge Chirality-Dependent Band Structure and Plasmon Damping in Graphene Edges.

PubMed

Duan, Jiahua; Chen, Runkun; Cheng, Yuan; Yang, Tianzhong; Zhai, Feng; Dai, Qing; Chen, Jianing

2018-05-01

The nontrivial topological origin and pseudospinorial character of electron wavefunctions make edge states possess unusual electronic properties. Twenty years ago, the tight-binding model calculation predicted that zigzag termination of 2D sheets of carbon atoms have peculiar edge states, which show potential application in spintronics and modern information technologies. Although scanning probe microscopy is employed to capture this phenomenon, the experimental demonstration of its optical response remains challenging. Here, the propagating graphene plasmon provides an edge-selective polaritonic probe to directly detect and control the electronic edge state at ambient condition. Compared with armchair, the edge-band structure in the bandgap gives rise to additional optical absorption and strongly absorbed rim at zigzag edge. Furthermore, the optical conductivity is reconstructed and the anisotropic plasmon damping in graphene systems is revealed. The reported approach paves the way for detecting edge-specific phenomena in other van der Waals materials and topological insulators. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optical Absorption in Liquid Semiconductors

NASA Astrophysics Data System (ADS)

Bell, Florian Gene

An infrared absorption cell has been developed which is suitable for high temperature liquids which have absorptions in the range .1-10('3) cm('-1). The cell is constructed by clamping a gasket between two flat optical windows. This unique design allows the use of any optical windows chemically compatible with the liquid. The long -wavelength limit of the measurements is therefore limited only by the choice of the optical windows. The thickness of the cell can easily be set during assembly, and can be varied from 50 (mu)m to .5 cm. Measurements of the optical absorption edge were performed on the liquid alloy Se(,1-x)Tl(,x) for x = 0, .001, .002, .003, .005, .007, and .009, from the melting point up to 475(DEGREES)C. The absorption was found to be exponential in the photon energy over the experimental range from 0.3 eV to 1.2 eV. The absorption increased linearly with concentration according to the empirical relation (alpha)(,T)(h(nu)) = (alpha)(,1) + (alpha)(,2)x, and the absorption (alpha)(,1) was interpreted as the absorption in the absence of T1. (alpha)(,1) also agreed with the measured absorption in 100% Se at corresponding temperatures and energies. The excess absorption defined by (DELTA)(alpha) = (alpha)(,T)(h(nu))-(alpha)(,1) was interpreted as the absorption associated with Tl and was found to be thermally activated with an activation energy E(,t) = 0.5 eV. The exponential edge is explained as absorption on atoms immersed in strong electric fields surrounding ions. The strong fields give rise to an absorption tail similar to the Franz-Keldysh effect. A simple calculation is performed which is based on the Dow-Redfield theory of absorption in an electric field with excitonic effects included. The excess absorption at low photon energies is proportional to the square of the concentration of ions, which are proposed to exist in the liquid according to the relation C(,i) (PROPORTIONAL) x(' 1/2)(.)e('-E)t('/kT), which is the origin of the thermal activation and the proportionality to Tl concentration. The ionic model satisfactorily explains the observed concentration and temperature dependence of the absorption. It also provides for the first time, a universal explanation of the exponential edge in liquid semiconductors where charged defects are present, and provides a means of measuring the concentration of ions when the absorption can be calibrated.

Application of the Tauc-Lorentz formulation to the interband absorption of optical coating materials

NASA Astrophysics Data System (ADS)

von Blanckenhagen, Bernhard; Tonova, Diana; Ullmann, Jens

2002-06-01

Recent progress in ellipsometry instrumentation permits precise measurement and characterization of optical coating materials in the deep-UV wavelength range. Dielectric coating materials exhibit their first electronic interband transition in this spectral range. The Tauc-Lorentz model is a powerful tool with which to parameterize interband absorption above the band edge. The application of this model for the parameterization of the optical absorption of TiO2, Ta2O5, HfO2, Al2O3, and LaF3 thin-film materials is described.

Strain-optic voltage monitor wherein strain causes a change in the optical absorption of a crystalline material

DOEpatents

Weiss, Jonathan D.

1997-01-01

A voltage monitor which uses the shift in absorption edge of crystalline material to measure strain resulting from electric field-induced deformation of piezoelectric or electrostrictive material, providing a simple and accurate means for measuring voltage applied either by direct contact with the crystalline material or by subjecting the material to an electric field.

First principles study of electronic properties, interband transitions and electron energy loss of α-graphyne

NASA Astrophysics Data System (ADS)

Behzad, Somayeh

2016-04-01

The electronic and optical properties of α-graphyne sheet are investigated by using density functional theory. The results confirm that α-graphyne sheet is a zero-gap semimetal. The optical properties of the α-graphyne sheet such as dielectric function, refraction index, electron energy loss function, reflectivity, absorption coefficient and extinction index are calculated for both parallel and perpendicular electric field polarizations. The optical spectra are strongly anisotropic along these two polarizations. For (E ∥ x), absorption edge is at 0 eV, while there is no absorption below 8 eV for (E ∥ z).

Optical absorption edge of ZnO thin films: The effect of substrate

NASA Astrophysics Data System (ADS)

Srikant, V.; Clarke, D. R.

1997-05-01

The optical absorption edge and the near-absorption edge characteristics of undoped ZnO films grown by laser ablation on various substrates have been investigated. The band edge of films on C [(0001)] and R-plane [(1102)] sapphire, 3.29 and 3.32 eV, respectively, are found to be very close to the single crystal value of ZnO (3.3 eV) with the differences being accounted for in terms of the thermal mismatch strain using the known deformation potentials of ZnO. In contrast, films grown on fused silica consistently exhibit a band edge ˜0.1 eV lower than that predicted using the known deformation potential and the thermal mismatch strains. This behavior is attributed to the small grain size (50 nm) realized in these films and the effect of electrostatic potentials that exist at the grain boundaries. Additionally, the spread in the tail (E0) of the band edge for the different films is found to be very sensitive to the defect structure in the films. For films grown on sapphire substrates, values of E0 as low as 30 meV can be achieved on annealing in air, whereas films on fused silica always show a value >100 meV. We attribute this difference to the substantially higher density of high-angle grain boundaries in the films on fused silica.

Incorporation of chromium into TiO{sub 2} nanopowders

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kollbek, Kamila, E-mail: biernack@agh.edu.pl; AGH University of Science and Technology, Academic Centre for Materials and Nanotechnology, Al. Mickiewicza 30, 30-059 Krakow; Sikora, Marcin

2015-04-15

Highlights: • Nanopowders of TiO{sub 2}:Cr with different amount of Cr dopant were obtained by flame spray synthesis, FSS. • Increase in the optical absorption and a shift of the absorption edge were observed upon Cr doping. • HERFD-XANES measurements indicated that the average valence state of titanium ions was preserved. • Increasing magnetic susceptibility of a paramagnetic character was observed upon Cr doping. - Abstract: The paper reports on the results of a study of optical, electronic and magnetic properties of TiO{sub 2} nanopowders doped with Cr ions. Diffused reflectance spectra reveal an increase in the optical absorption andmore » a shift of the absorption edge towards lower energies upon Cr doping. Direct information on the Ti electronic state and the symmetry of its nearest environment is obtained from XANES Ti K-edge spectra. Magnetic behaviour is probed by means of the temperature dependence of DC magnetic susceptibility. Increasing magnetic susceptibility of a paramagnetic character is observed upon increasing chromium doping. The Curie constant of TiO{sub 2}:10 at.% Cr sample (0.12 emu K/mol Oe) is lower than that expected for Cr{sup 3+} (0.1875 emu K/mol Oe) possibly due to the appearance of Cr{sup 4+} or the presence of the orbital contribution to the magnetic moment.« less

Strain-optic voltage monitor wherein strain causes a change in the optical absorption of a crystalline material

DOEpatents

Weiss, J.D.

1997-01-14

A voltage monitor which uses the shift in absorption edge of crystalline material to measure strain resulting from electric field-induced deformation of piezoelectric or electrostrictive material, providing a simple and accurate means for measuring voltage applied either by direct contact with the crystalline material or by subjecting the material to an electric field. 6 figs.

Temperature behaviour of optical parameters in (Ag3AsS3)0.3(As2S3)0.7 thin films

NASA Astrophysics Data System (ADS)

Kutsyk, Mykhailo M.; Ráti, Yosyp Y.; Izai, Vitalii Y.; Makauz, Ivan I.; Studenyak, Ihor P.; Kökényesi, Sandor; Komada, Paweł; Zhailaubayev, Yerkin; Smailov, Nurzhigit

2015-12-01

(Ag3AsS3)0.3(As2S3)0.7 thin films were deposited onto a quartz substrate by rapid thermal evaporation. The optical transmission spectra of thin films were measured in the temperature range 77-300 K. It is shown that the absorption edge spectra are described by the Urbach rule. The temperature behaviour of absorption spectra was studied, the temperature dependences of energy position of absorption edge and Urbach energy were investigated. The influence of transition from three-dimensional glass to the two-dimensional thin film as well as influence of Ag3AsS3 introduction into As2S3 on the optical parameters of (Ag3AsS3)0.3(As2S3)0.7 were analysed. The spectral and temperature behaviour or refractive index for (Ag3AsS3)0.3(As2S3)0.7 thin film were studied.

Characterization of Infrared Properties of Layered Semiconductors.

DTIC Science & Technology

1987-02-20

candidate -10- V. PUBLICATIONS INCLUDED WITH REPORT 1) R. Braunstein, R. K . Kim, D. Matthews, and M. Braunstein: "Derivative Absorption Spectroscopy of...34Wavelength Modulation Spectra of a-Ag0.7Zn0 .3 Near the Optical Absorption Edge," Phys. Stat. Sol.(b) 131, 659 (1983). 5) R. K . Kim and R. Braunstein...34Infrared Wavelength Modulation Spectroscopy of Some Optical Material," Appl. Optics 23(8), 1166 (1984). 6) C.E. Jones, K . James, J. Merz, R. Braunstein, M

Optical properties of graphene nanoflakes: Shape matters.

PubMed

Mansilla Wettstein, Candela; Bonafé, Franco P; Oviedo, M Belén; Sánchez, Cristián G

2016-06-14

In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNF size, which shows three very distinct trends for different shapes and edge geometries.

Optical properties of graphene nanoflakes: Shape matters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mansilla Wettstein, Candela; Bonafé, Franco P.; Sánchez, Cristián G., E-mail: cgsanchez@fcq.unc.edu.ar

In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNFmore » size, which shows three very distinct trends for different shapes and edge geometries.« less

Communication: X-ray excited optical luminescence from TbCl3 at the giant resonance of terbium

NASA Astrophysics Data System (ADS)

Heigl, F.; Jürgensen, A.; Zhou, X.-T.; Hu, Y.-F.; Zuin, L.; Sham, T. K.

2013-02-01

We have studied the optical recombination channels of TbCl3 using x-ray excited optical luminescence at the N4,5 absorption edge of Tb (giant resonance) in both the energy and time domain. The luminescence exhibits a relatively fast 5D3, and a slow 5D4 decay channel in the blue and green, respectively. The rather short lifetime of the 5D3 state indicates that the decay is mainly driven by Tb-Tb ion interaction via non-radiative energy transfer (cross-relaxation). At the giant resonance the X-ray Absorption Near Edge Structure (XANES) recorded using partial photoluminescence yield is inverted. In the pre-edge region the contrast of the spectral feature is significantly better in optical XANES than in total electron yield. Changes in the intensity of 5D3-7F5 (544 nm) and 5D4-7F6 (382 nm) optical transitions as the excitation energy is tuned across the giant resonance are also noted. The results provide detailed insight into the dynamics of the optical recombination channels and an alternative method to obtain high sensitivity, high energy resolution XANES at the giant resonance of light emitting rare-earth materials.

The optical properties of β-FeSi 2 fabricated by ion beam assisted sputtering

NASA Astrophysics Data System (ADS)

McKinty, C. N.; Kewell, A. K.; Sharpe, J. S.; Lourenço, M. A.; Butler, T. M.; Valizadeh, R.; Colligon, J. S.; Reeson Kirkby, K. J.; Homewood, K. P.

2000-03-01

β-FeSi 2 has been shown to have a minimum direct band gap of 0.87 eV [T.D. Hunt, K.J. Reeson, K.P. Homewood, S.W. Teon, R.M. Gwilliam, B.J. Sealy, Nucl. Instr. and Meth. B 84 (1994) 168-171] which leads to the opportunity for Si based opto-electronics, optical communications and optical interconnects. Electroluminescence has been reported from structures containing β-FeSi 2, which were produced by high dose ion implantation and annealing [D. Leong, M.A. Harry, K.J. Reeson, K.P. Homewood, Nature 387 (12 June 1987) 686]. In this paper we report the formation of β-FeSi 2 by ion beam assisted co-sputtering of Fe and Si in varying percentages. The layers were deposited with a varying Fe/Si ratio, with a Si capping layer applied to prevent oxidation. Separate regions of the sample were investigated at room temperature using optical absorption, to measure the band gap values. Absorption under the fundamental edge was also analysed at room temperature. Further investigations looked at the temperature dependence of the band gap and the absorption under the fundamental edge. The results showed that a variety of Fe/Si ratios produced β-FeSi 2, the formation of which was ascertained by the presence of a suitable band gap value [0.83-0.88 eV]. Absorption under the fundamental edge was shown to follow an exponential Urbach tail [C.H. Grein, S. John, Phys. Rev. B 39 (1989) 1140]. The temperature measurements are in good agreement with the Einstein model.

Localized modes in optics of photonic liquid crystals with local anisotropy of absorption

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belyakov, V. A., E-mail: bel1937@mail.ru, E-mail: bel@landau.ac.ru; Semenov, S. V.

2016-05-15

The localized optical modes in spiral photonic liquid crystals are theoretically studied for the certainty at the example of chiral liquid crystals (CLCs) for the case of CLC with an anisotropic local absorption. The model adopted here (absence of dielectric interfaces in the structures under investigation) makes it possible to get rid of mixing of polarizations on the surfaces of the CLC layer and of the defect structure and to reduce the corresponding equations to only the equations for light with polarization diffracting in the CLC. The dispersion equations determining connection of the edge mode (EM) and defect mode (DM)more » frequencies with the CLC layer parameters (anisotropy of local absorption, CLC order parameter) and other parameters of the DMS are obtained. Analytic expressions for the transmission and reflection coefficients of CLC layer and DMS for the case of CLC with an anisotropic local absorption are presented and analyzed. It is shown that the CLC layers with locally anisotropic absorption reduce the EM and DM lifetimes (and increase the lasing threshold) in the way different from the case of CLC with an isotropic local absorption. Due to the Borrmann effect revealing of which is different at the opposite stop-band edges in the case of CLC layers with an anisotropic local absorption the EM life-times for the EM frequencies at the opposite stop-bands edges may be significantly different. The options of experimental observations of the theoretically revealed phenomena are briefly discussed.« less

Localized modes in optics of photonic liquid crystals with local anisotropy of absorption

NASA Astrophysics Data System (ADS)

Belyakov, V. A.; Semenov, S. V.

2016-05-01

The localized optical modes in spiral photonic liquid crystals are theoretically studied for the certainty at the example of chiral liquid crystals (CLCs) for the case of CLC with an anisotropic local absorption. The model adopted here (absence of dielectric interfaces in the structures under investigation) makes it possible to get rid of mixing of polarizations on the surfaces of the CLC layer and of the defect structure and to reduce the corresponding equations to only the equations for light with polarization diffracting in the CLC. The dispersion equations determining connection of the edge mode (EM) and defect mode (DM) frequencies with the CLC layer parameters (anisotropy of local absorption, CLC order parameter) and other parameters of the DMS are obtained. Analytic expressions for the transmission and reflection coefficients of CLC layer and DMS for the case of CLC with an anisotropic local absorption are presented and analyzed. It is shown that the CLC layers with locally anisotropic absorption reduce the EM and DM lifetimes (and increase the lasing threshold) in the way different from the case of CLC with an isotropic local absorption. Due to the Borrmann effect revealing of which is different at the opposite stop-band edges in the case of CLC layers with an anisotropic local absorption the EM life-times for the EM frequencies at the opposite stop-bands edges may be significantly different. The options of experimental observations of the theoretically revealed phenomena are briefly discussed.

Excitonic Transitions and Off-resonant Optical Limiting in CdS Quantum Dots Stabilized in a Synthetic Glue Matrix

PubMed Central

2007-01-01

Stable films containing CdS quantum dots of mean size 3.4 nm embedded in a solid host matrix are prepared using a room temperature chemical route of synthesis. CdS/synthetic glue nanocomposites are characterized using high resolution transmission electron microscopy, infrared spectroscopy, differential scanning calorimetry and thermogravimetric analysis. Significant blue shift from the bulk absorption edge is observed in optical absorption as well as photoacoustic spectra indicating strong quantum confinement. The exciton transitions are better resolved in photoacoustic spectroscopy compared to optical absorption spectroscopy. We assign the first four bands observed in photoacoustic spectroscopy to 1se–1sh, 1pe–1ph, 1de–1dhand 2pe–2phtransitions using a non interacting particle model. Nonlinear absorption studies are done using z-scan technique with nanosecond pulses in the off resonant regime. The origin of optical limiting is predominantly two photon absorption mechanism.

Spectroscopic ellipsometry characterization of ZnO:Sn thin films with various Sn composition deposited by remote-plasma reactive sputtering

NASA Astrophysics Data System (ADS)

Janicek, Petr; Niang, Kham M.; Mistrik, Jan; Palka, Karel; Flewitt, Andrew J.

2017-11-01

ZnO:Sn thin films were deposited onto thermally oxidized silicon substrates using a remote plasma reactive sputtering. Their optical constants (refractive index n and extinction coefficient k) were determined from ellipsometric data recorded over a wide spectral range (0.05-6 eV). Parametrization of ZnO:Sn complex dielectric permittivity consists of a parameterized semiconductor oscillator function describing the short wavelength absorption edge, a Drude oscillator describing free carrier absorption in near-infrared part of spectra and a Lorentz oscillator describing the long wavelength absorption edge and intra-band absorption in the ultra-violet part of the spectra. Using a Mott-Davis model, the increase in local disorder with increasing Sn doping is quantified from the short wavelength absorption edge onset. Using the Wemple-DiDomenico single oscillator model for the transparent part of the optical constants spectra, an increase in the centroid distance of the valence and conduction bands with increasing Sn doping is shown and only slight increase in intensity of the inter-band optical transition due to Sn doping occurs. The Drude model applied in the near-infrared part of the spectra revealed the free carrier concentration and mobility of ZnO:Sn. Results show that the range of transparency of prepared ZnO:Sn layers is not dramatically affected by Sn doping whereas electrical conductivity could be controlled by Sn doping. Refractive index in the transparent part is comparable with amorphous Indium Gallium Zinc Oxide allowing utilization of prepared ZnO:Sn layers as an indium-free alternative.

Optical absorption spectra and energy band gap in manganese containing sodium zinc phosphate glasses

NASA Astrophysics Data System (ADS)

Sardarpasha, K. R.; Hanumantharaju, N.; Gowda, V. C. Veeranna

2018-05-01

Optical band gap energy in the system 25Na2O-(75-x)[0.6P2O5-0.4ZnO]-xMnO2 (where x = 0.5,1,5,10 and 20 mol.%) have been studied. The intensity of the absorption band found to increase with increase of MnO2 content. The decrease in the optical band gap energy with increase in MnO2 content in the investigated glasses is attributed to shifting of absorption edge to a longer wavelength region. The obtained results were discussed in view of the structure of phosphate glass network.

Effect of midgap defect states on the optical properties of Ge20Se70Te10 nano colloids

NASA Astrophysics Data System (ADS)

Cheruvalath, Ajina; Sebastian, Indu; Sebastian, Mathew; Nampoori, V. P. N.; Thomas, Sheenu

2017-10-01

In this work, we report the linear and nonlinear optical studies on a pseudo binary chalcogenide glass of composition Ge20 Se70 Te10 in its nano colloidal form. The possibility of tuning the band gap, nonlinear refractive index and nonlinear absorption of the material by changing the glass loading in the colloid has been revealed. A red shift in the band edge along with an intermediate peak in the band tail due to defect states is observed with increasing concentration. Photoluminescence studies confirm the existence of intermediate defect states in the bandgap. Nonlinear properties analyzed with open and closed aperture z scan technique reveal that the nonlinear refraction enhances due to resonant effects as the band gap of the colloid gets near the one photon absorption edge. The nonlinear absorption is prominent in the concentrated sample due to the presence of defect states which acts as an intermediate level in two step photon absorption.

Performance of special radiation-hardened optical fibers intended for use in the telecom spectral windows at a megagray level

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tomashuk, A.L.; Dianov, E.M.; Golant, K.M.

Gamma-radiation-induced absorption spectra (2.15 MGy(Si)) are compared in N-doped and pure silica fibers fabricated by surface plasma CVD-process under different regimes with the aim to reveal the chief absorption mechanisms in the telecom spectral windows and to work out an optimum fiber design. The long wavelength absorption edge is shown to be the main absorption mechanism at megagray doses. Its value increases with increasing bonded hydrogen concentration in the fiber glass network and is slightly greater in N-doped fibers. No nitrogen-related color centers have been revealed in the short wavelength loss edge, which is determined by chlorine impurity in silica.

Single shot near edge x-ray absorption fine structure spectroscopy in the laboratory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mantouvalou, I., E-mail: ioanna.mantouvalou@tu-berlin.de; Witte, K.; Martyanov, W.

With the help of adapted off-axis reflection zone plates, near edge X-ray absorption fine structure spectra at the C and N K-absorption edge have been recorded using a single 1.2 ns long soft X-ray pulse. The transmission experiments were performed with a laser-produced plasma source in the laboratory rendering time resolved measurements feasible independent on large scale facilities. A resolving power of E/ΔE ∼ 950 at the respective edges could be demonstrated. A comparison of single shot spectra with those collected with longer measuring time proves that all features of the used reference samples (silicon nitrate and polyimide) can be resolved in 1.2 ns.more » Hence, investigations of radiation sensitive biological specimen become possible due to the high efficiency of the optical elements enabling low dose experiments.« less

Effect of X-ray irradiation on the optical absorption of СdSe1-xTex nanocrystals embedded in borosilicate glass

NASA Astrophysics Data System (ADS)

Prymak, M. V.; Azhniuk, Yu. M.; Solomon, A. M.; Krasilinets, V. M.; Lopushansky, V. V.; Bodnar, I. V.; Gomonnai, A. V.; Zahn, D. R. T.

2012-07-01

The effect of X-ray irradiation on the optical absorption spectra of CdSe1-xTex nanocrystals embedded in a borosilicate matrix is studied. The observed blue shift of the absorption edge and bleaching of the confinement-related features in the spectra are related to X-ray induced negative ionization of the nanocrystals with charge transfer across the nanocrystal/matrix interface. The radiation-induced changes are observed to recover after longer post-irradiation storage at room temperature.

Accurate and facile determination of the index of refraction of organic thin films near the carbon 1s absorption edge.

PubMed

Yan, Hongping; Wang, Cheng; McCarn, Allison R; Ade, Harald

2013-04-26

A practical and accurate method to obtain the index of refraction, especially the decrement δ, across the carbon 1s absorption edge is demonstrated. The combination of absorption spectra scaled to the Henke atomic scattering factor database, the use of the doubly subtractive Kramers-Kronig relations, and high precision specular reflectivity measurements from thin films allow the notoriously difficult-to-measure δ to be determined with high accuracy. No independent knowledge of the film thickness or density is required. High confidence interpolation between relatively sparse measurements of δ across an absorption edge is achieved. Accurate optical constants determined by this method are expected to greatly improve the simulation and interpretation of resonant soft x-ray scattering and reflectivity data. The method is demonstrated using poly(methyl methacrylate) and should be extendable to all organic materials.

Some aspects of pulsed laser deposition of Si nanocrystalline films

NASA Astrophysics Data System (ADS)

Polyakov, B.; Petruhins, A.; Butikova, J.; Kuzmin, A.; Tale, I.

2009-11-01

Nanocrystalline silicon films were deposited by a picosecond laser ablation on different substrates in vacuum at room temperature. A nanocrystalline structure of the films was evidenced by atomic force microscopy (AFM), optical and Raman spectroscopies. A blue shift of the absorption edge was observed in optical absorption spectra, and a decrease of the optical phonon energy at the Brillouin zone centre was detected by Raman scattering. Early stages of nanocrystalline film formation on mica and HOPG substrates were studied by AFM. Mechanism of nanocrystal growth on substrate is discussed. in here

Extremely asymmetric diffraction as a method of determining magneto-optical constants for X-rays near absorption edges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andreeva, M. A., E-mail: Mandreeva1@yandex.ru; Repchenko, Yu. L., E-mail: kent160@mail.ru; Smekhova, A. G.

2015-06-15

The spectral dependence of the Bragg peak position under conditions of extremely asymmetric diffraction has been analyzed in the kinematical and dynamical approximations of the diffraction theory. Simulations have been performed for the L{sub 3} absorption edge of yttrium in a single-crystal YFe{sub 2} film; they have shown that the magneto-optical constants (or, equivalently, the dispersion corrections to the atomic scattering factor) for hard X-rays can be determined from this dependence. Comparison with the experimental data obtained for a Nb(4 nm)/YFe{sub 2}(40 nm〈110〉)/Fe(1.5 nm)/Nb(50 nm)/sapphire sample at the European Synchrotron Radiation Facility has been made.

Narrow bandgap semiconducting silicides: Intrinsic infrared detectors on a silicon chip

NASA Technical Reports Server (NTRS)

Mahan, John E.

1989-01-01

Polycrystalline thin films of CrSi2, LaSi2, and ReSi2 were grown on silicon substrates. Normal incidence optical transmittance and reflectance measurements were made as a function of wavelength. It was demonstrated that LaSi2 is a metallic conductor, but that CrSi2 and ReSi2 are, in fact, narrow bandgap semiconductors. For CrSi2, the complex index of refraction was determined by computer analysis of the optical data. From the imaginary part, the optical absorption coefficient was determined as a function of photon energy. It was shown that CrSi2 possesses an indirect forbidden energy gap of slightly less than 0.31 eV, and yet it is a very strong absorber of light above the absorption edge. On the other hand, the ReSi2 films exhibit an absorption edge in the vicinity of 0.2 eV. Measurements of the thermal activation energy of resistivity for ReSi2 indicate a bandgap of 0.18 eV. It is concluded that the semiconducting silicides merit further investigation for development as new silicon-compatible infrared detector materials.

Atomic-scale distortion of optically activated Sm dopants identified with site-selective X-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Ishii, Masashi; Crowe, Iain F.; Halsall, Matthew P.; Hamilton, Bruce; Hu, Yongfeng; Sham, Tsun-Kong; Harako, Susumu; Zhao, Xin-Wei; Komuro, Shuji

2013-10-01

The local structure of luminescent Sm dopants was investigated using an X-ray absorption fine-structure technique with X-ray-excited optical luminescence. Because this technique evaluates X-ray absorption from luminescence, only optically active sites are analyzed. The Sm L3 near-edge spectrum contains split 5d states and a shake-up transition that are specific to luminescent Sm. Theoretical calculations using cluster models identified an atomic-scale distortion that can reproduce the split 5d states. The model with C4v local symmetry and compressive bond length of Sm-O of a six-fold oxygen (SmO6) cluster is most consistent with the experimental results.

Influence of defects on the absorption edge of InN thin films: The band gap value

NASA Astrophysics Data System (ADS)

Thakur, J. S.; Danylyuk, Y. V.; Haddad, D.; Naik, V. M.; Naik, R.; Auner, G. W.

2007-07-01

We investigate the optical-absorption spectra of InN thin films whose electron density varies from ˜1017tõ1021cm-3 . The low-density films are grown by molecular-beam-epitaxy deposition while highly degenerate films are grown by plasma-source molecular-beam epitaxy. The optical-absorption edge is found to increase from 0.61to1.90eV as the carrier density of the films is increased from low to high density. Since films are polycrystalline and contain various types of defects, we discuss the band gap values by studying the influence of electron degeneracy, electron-electron, electron-ionized impurities, and electron-LO-phonon interaction self-energies on the spectral absorption coefficients of these films. The quasiparticle self-energies of the valence and conduction bands are calculated using dielectric screening within the random-phase approximation. Using one-particle Green’s function analysis, we self-consistently determine the chemical potential for films by coupling equations for the chemical potential and the single-particle scattering rate calculated within the effective-mass approximation for the electron scatterings from ionized impurities and LO phonons. By subtracting the influence of self-energies and chemical potential from the optical-absorption edge energy, we estimate the intrinsic band gap values for the films. We also determine the variations in the calculated band gap values due to the variations in the electron effective mass and static dielectric constant. For the lowest-density film, the estimated band gap energy is ˜0.59eV , while for the highest-density film, it varies from ˜0.60tõ0.68eV depending on the values of electron effective mass and dielectric constant.

Optical evidence of strong coupling between valence-band holes and d -localized spins in Zn1-xMnxO

NASA Astrophysics Data System (ADS)

Sokolov, V. I.; Druzhinin, A. V.; Gruzdev, N. B.; Dejneka, A.; Churpita, O.; Hubicka, Z.; Jastrabik, L.; Trepakov, V.

2010-04-01

We report on optical-absorption study of Zn1-xMnxO (x=0-0.06) films on fused silica substrates taking special attention to the spectral range of the fundamental absorption edge (3.1-4 eV). Well-pronounced excitonic lines observed in the region 3.40-3.45 eV were found to shift to higher energies with increasing Mn concentration. The optical band-gap energy increases with x too, reliably evidencing strong coupling between oxygen holes and localized spins of manganese ions. In the 3.1-3.3 eV region the optical-absorption curve in the manganese-contained films was found to shift to lower energies with respect to that for undoped ZnO. The additional absorption observed in this range is interpreted as a result of splitting of a localized Zhang-Rice-type state into the band gap.

Tuning optical absorption and photoexcited recombination dynamics in La1-xSrxFeO3-δ through A-site substitution and oxygen vacancies

NASA Astrophysics Data System (ADS)

Smolin, Sergey; Scafetta, Mark; Choquette, Amber; Sfeir, Matthew; Baxter, Jason; May, Steven

We study optical absorption and recombination dynamics in La1-xSrxFeO3-δ thin films, uncovering the effects of tuning nominal Fe valence via A-site substitution and oxygen stoichiometry. Variable angle spectroscopic ellipsometry was used to measure static optical properties, revealing a linear increase in absorption coefficient at 1.25 eV and a red-shifting of the optical absorption edge with increasing Sr fraction. The absorption spectra can be similarly tuned through the introduction of oxygen vacancies, indicating the critical role that nominal Fe valence plays in optical absorption. Dynamic optoelectronic properties were studied with ultrafast transient reflectance spectroscopy, revealing similar nanosecond photoexcited carrier lifetimes for oxygen deficient and stoichiometric films with the same nominal Fe valence. These results demonstrate that while the static optical absorption is strongly dependent on Fe valence tuned through cation or anion stoichiometry, oxygen vacancies do not appear to play a significantly detrimental role in the recombination kinetics. Nsf: ECCS-1201957, MRI DMR-0922929, MRI DMR-1040166. This research used resources of the Center for Functional Nanomaterials, which is a U.S. DOE Office of Science Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704.

The relationship between structural and optical properties of Se-Ge-As glasses

NASA Astrophysics Data System (ADS)

Ghayebloo, M.; Rezvani, M.; Tavoosi, M.

2018-05-01

In this study, the structural and optical characterization of bulk Se-Ge-As glasses has been investigated. In this regards, six different Se60Ge40-xAsx (0 ≤ x ≤ 25) glasses were prepared by conventional melt quenching technique in quartz ampoule. The produced samples were characterized using X-ray diffraction (XRD), Raman spectroscopy, differential thermal analysis (DTA), ultraviolet-visible (UV-Vis) and Fourier transform infrared (FTIR) spectroscopy. The fundamental absorption edge for all the glasses was analyzed in terms of the theory proposed by Davis and Mott. According to achieved results, fully amorphous phase can easily form in different Se-Ge-As systems. The thermal and optical characteristic of Se60Ge40-xAsx glasses shows anomalous behavior at 5 mol% of As for the glass transition temperature, transmittance, absorption edge, optical energy gap and Urbach energy. The highest glass transition temperature, transmittance, optical energy gap and Urbach energy properties were achieved in Se60Ge35As5 glass as a result of the highest connectivity of cations and anions in glass network.

Remarkable optical red shift and extremely high optical absorption coefficient of V-Ga co-doped TiO2

NASA Astrophysics Data System (ADS)

Deng, Quanrong; Han, Xiaoping; Gao, Yun; Shao, Guosheng

2012-07-01

A first attempt has been made to study the effect of codoping of transition metal and sp metal on the electronic structure and associated optical properties of TiO2, through V-Ga codoped thin films. V-Ga codoped rutile TiO2 films were fabricated on fused quartz substrates using pulsed laser ablation, followed by heat treatment at high temperatures. Gigantic redshift in the optical absorption edge was observed in V-Ga co-doped TiO2 materials, from UV to infrared region with high absorption coefficient. Through combined structural characterization and theoretical modeling, this is attributed to the p-d hybridization between the two metals. This leads to additional energy bands to overlap with the minimum of the conduction band, leading to remarkably narrowed band gap free of mid-gap states. The direct-gap of the co-doped phase is key to the remarkably high optical absorption coefficient of the coped titania.

Particle-in-a-box model of exciton absorption and electroabsorption in conjugated polymers

NASA Astrophysics Data System (ADS)

Pedersen, Thomas G.

2000-12-01

The recently proposed particle-in-a-box model of one-dimensional excitons in conjugated polymers is applied in calculations of optical absorption and electroabsorption spectra. It is demonstrated that for polymers of long conjugation length a superposition of single exciton resonances produces a line shape characterized by a square-root singularity in agreement with experimental spectra near the absorption edge. The effects of finite conjugation length on both absorption and electroabsorption spectra are analyzed.

Structure of CdTe nanoparticles in glass

NASA Astrophysics Data System (ADS)

Hayes, T. M.; Nagpal, Swati; Persans, P. D.

2000-03-01

Optical long-pass wavelength filters are generally made by growing small crystallites of appropriate semiconductors in a transparent glass matrix. Depending on the semiconductor, these systems are candidates for interesting and important nonlinear optical switching applications. The structure of these nanocrystals has been shown to be a valuable indicator of the chemical and thermodynamic processes during crystallite growth and dissolution. We have used x-ray absorption spectroscopy to study the structure of the crystallites produced during heat treatment of filter glasses containing Cd and Te and producing optical absorption edges at the band gap of bulk CdTe. The results will be discussed.

Optical absorption and disorder in delafossites

DOE PAGES

Senty, Tess R.; Haycock, Barry; Lekse, Jonathan; ...

2017-07-06

Here, we present compelling experimental results of the optical characteristics of transparent oxide CuGaO 2 and related CuGa 1-xFe xO 2 (with 0.00 ≤ x ≤ 0.05) alloys, whereby the forbidden electronic transitions for CuGaO 2 become permissible in the presence of B-site (Ga sites) alloying with Fe. Our computational structural results imply a correlation between the global strain on the system and a decreased optical absorption edge. However, herein, we show that the relatively ordered CuGa 1-xFe xO 2 (for 0.00 ≤ x ≤ 0.04) structures exhibit much weaker vis-absorption compared to the relatively disordered CuGa 0.95Fe 0.05O 2.

Short optical pulse generation at 40 GHz with a bulk electro-absorption modulator packaged device

NASA Astrophysics Data System (ADS)

Langlois, Patrick; Moore, Ronald; Prosyk, Kelvin; O'Keefe, Sean; Oosterom, Jill A.; Betty, Ian; Foster, Robert; Greenspan, Jonathan; Singh, Priti

2003-12-01

Short optical pulse generation at 40GHz and 1540nm wavelength is achieved using fully packaged bulk quaternary electro-absorption modulator modules. Experimental results obtained with broadband and narrowband optimized packaged modules are presented and compared against empirical model predictions. Pulse duty cycle, extinction ratio and chirp are studied as a function of sinusoidal drive voltage and detuning between operating wavelength and modulator absorption band edge. Design rules and performance trade-offs are discussed. Low-chirp pulses with a FWHM of ~12ps and sub-4ps at a rate of 40GHz are demonstrated. Optical time-domain demultiplexing of a 40GHz to a 10GHz pulse train is also demonstrated with better than 20dB extinction ratio.

Electronic Structures and Optical Properties of α-Al2O3Nanowires

NASA Astrophysics Data System (ADS)

Wang, Zhiqiang; Li, Chunlei; Liu, Lijia; Sham, Tsun-Kong

2013-04-01

The electronic structure and optical properties of α-Al2O3 nanowires (NWs) have been investigated using X-ray absorption near-edge structures (XANES) and X-ray excited optical luminescence (XEOL). The XANES were recorded in total electron yield (TEY) and total fluorescence yield (TFY) across the K- and L3,2-edges of aluminium and the K-edge of oxygen. The results indicate that the NWs are of a core/shell structure with a single-crystalline core and an amorphous shell. The XEOL spectra of the NWs show an intense peak at 404 nm, which comes from the F centre located in the amorphous shell of the NWs. The implication of these findings and the sensitivity of XEOL for defect detection are discussed.

Study of cobalt effect on structural and optical properties of Dy doped ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Kumar, Pawan; Pandey, Praveen C.

2018-05-01

The present study has been carried out to investigate the effect of Co doping on structural and optical properties of Dy doped ZnO nanoparticles. We have prepared pure Zinc oxide, Dy (1%) doped ZnO and Dy (1%) doped ZnO co-doped with Co(2%) with the help of simple sol-gel combustion method. The structural analysis carried out using X-ray diffraction spectra (XRD) indicates substitution of Dy and Co at Zn site of ZnO crystal structure and hexagonal crystal structure without any secondary phase formation in all the samples. The surface morphology was analyzed by transmission electron microscopy (TEM). Absorption study indicates that Dy doping causes a small shift in band edge, while Co co-doping results significant change is absorption edge as well as introduce defect level absorption in the visible region. The band gap of samples decreases due to Dy and Co doping, which can be attributed to defect level formation below the conduction band in the system.

Optical response of mixed methylammonium lead iodide and formamidinium tin iodide perovskite thin films

DOE PAGES

Ghimire, Kiran; Zhao, Dewei; Yan, Yanfa; ...

2017-07-13

Here, mixed tin (Sn) and lead (Pb) based perovskite thin films have been prepared by solution processing combining methylammonium lead iodide (MAPbI 3) and formamidinium tin iodide (FASnI 3) precursors. Optical response in the form of complex dielectric function (ε = ε 1 + iε 2) spectra and absorption coefficient (α) spectra of (FASnI 3) 1-x(MAPbI 3) x based perovskite films have been extracted over a spectral range 0.74 to 5.89 eV using spectroscopic ellipsometry. Absorption band edge energy changes as a function of composition for films including FASnI 3, MAPbI 3, and mixed x = 0.20, 0.35, 0.40, andmore » 0.6 (FASnI 3) 1-x(MAPbI 3) x perovskites. (FASnI 3) 0.60(MAPbI 3) 0.4 is found to have the minimum absorption band edge energy near ~1.2 eV.« less

Selective optical contacting for solar spectrum management

NASA Astrophysics Data System (ADS)

Yang, Jianfeng; Chen, Weijian; Wang, Bo; Zhang, Zhilong; Huang, Shujuan; Shrestha, Santosh; Wen, Xiaoming; Patterson, Robert; Conibeer, Gavin

2017-02-01

Solar spectrum management using up/down conversion is an important method to improve the photovoltaic energy conversion efficiency. It asks for a monochromatic luminescence absorption at the band edge of the photovoltaic device to reduce both the sub-band-gap and over-band-gap energy losses. Here, we demonstrate an energy selective optical contacting concept to improve the luminescence transfer efficiency for spectrum management. By increasing both the luminescence emission and re-absorption ability through photonic resonance, an efficient photon transfer channel could be established between the luminescence emitter and the photovoltaic component in a near-field region. This concept is not only able to compensate the insufficient band edge absorption ability of the photovoltaic device, but also to break the far-field limitation of luminescence radiation. The energy selection on the optical spectrum naturally imposed by the mode resonance is also helpful to improve the monochromaticity of the luminescence yield. In this paper, a photonic crystal cavity is used to realize the optical contacting concept between a thin silicon film and spectrum converter. The optical power and photon flux transferred between different components are calculated analytically using the electromagnetic Green's function. The corresponding radiative dipole moment is estimated by the fluctuation-dissipation theorem. The example shows an over 80 times enhancement in the luminescence absorbance by the silicon layer, illustrating the great potential of this concept to be applied on nano-structured photovoltaic devices.

Physical and optical absorption studies of Fe{sup 3+} - ions doped lithium borate glasses containing certain alkaline earths

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhogi, Ashok; Kumar, R. Vijaya; Kistaiah, P., E-mail: pkistaiah@yahoo.com

Iron ion doped lithium borate glasses with the composition 15RO-25Li{sub 2}O-59B{sub 2}O{sub 3}-1Fe{sub 2}O{sub 3} (where R= Ca, Sr and Ba) have been prepared by the conventional melt quenching technique and characterized to investigate the physical and optical properties using XRD, density, molar volume and UV-Visible spectroscopy. The optical absorption spectra exhibit a band at around 460 nm which is assigned to {sup 6}A{sub 1g}(S) → 4E{sub g} (G) of Fe{sup 3+} ions with distorted octahedral symmetry. From ultraviolet absorption edges, the optical band gap and Urbach energies have been evaluated. The effect of alkaline earths on these properties ismore » discussed.« less

Near-band-edge optical responses of solution-processed organic-inorganic hybrid perovskite CH3NH3PbI3 on mesoporous TiO2 electrodes

NASA Astrophysics Data System (ADS)

Yamada, Yasuhiro; Nakamura, Toru; Endo, Masaru; Wakamiya, Atsushi; Kanemitsu, Yoshihiko

2014-03-01

We studied the near-band-edge optical responses of solution-processed CH3NH3PbI3 on mesoporous TiO2 electrodes, which is utilized in mesoscopic heterojunction solar cells. Photoluminescence (PL) and PL excitation spectra peaks appear at 1.60 and 1.64 eV, respectively. The transient absorption spectrum shows a negative peak at 1.61 eV owing to photobleaching at the band-gap energy, indicating a direct band-gap semiconductor. On the basis of the temperature-dependent PL and diffuse reflectance spectra, we clarified that the absorption tail at room temperature is explained in terms of an Urbach tail and consistently determined the band-gap energy to be ˜1.61 eV at room temperature.

Variability in Chemical Vapor Deposited Zinc Sulfide: Assessment of Legacy and International CVD ZnS Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCloy, John S.; Korenstein, Ralph

2009-10-06

Samples of CVD ZnS from the United States, Germany, Israel, and China were evaluated using transmission spectroscopy, x-ray diffraction, photoluminescence, and biaxial flexure testing. Visible and near-infrared scattering, 6 μm absorption, and ultraviolet cut-on edge varied substantially in tested materials. Crystallographic hexagonality and texture was determined and correlated with optical scattering. Transmission cut-on (ultraviolet edge) blue-shifts with annealing and corresponds to visible color but not the 6 μm absorption. Photoluminescence results suggest that CVD ZnS exhibits a complex suite of electronic bandgap defects. All CVD ZnS tested with biaxial flexure exhibit similar fracture strength values and Weibull moduli. This surveymore » suggests that technical understanding of the structure and optical properties CVD ZnS is still in its infancy.« less

Temperature dependence of the Urbach optical absorption edge: A theory of multiple phonon absorption and emission sidebands

NASA Astrophysics Data System (ADS)

Grein, C. H.; John, Sajeev

1989-01-01

The optical absorption coefficient for subgap electronic transitions in crystalline and disordered semiconductors is calculated by first-principles means with use of a variational principle based on the Feynman path-integral representation of the transition amplitude. This incorporates the synergetic interplay of static disorder and the nonadiabatic quantum dynamics of the coupled electron-phonon system. Over photon-energy ranges of experimental interest, this method predicts accurate linear exponential Urbach behavior of the absorption coefficient. At finite temperatures the nonlinear electron-phonon interaction gives rise to multiple phonon emission and absorption sidebands which accompany the optically induced electronic transition. These sidebands dominate the absorption in the Urbach regime and account for the temperature dependence of the Urbach slope and energy gap. The physical picture which emerges is that the phonons absorbed from the heat bath are then reemitted into a dynamical polaronlike potential well which localizes the electron. At zero temperature we recover the usual polaron theory. At high temperatures the calculated tail is qualitatively similar to that of a static Gaussian random potential. This leads to a linear relationship between the Urbach slope and the downshift of the extrapolated continuum band edge as well as a temperature-independent Urbach focus. At very low temperatures, deviations from these rules are predicted arising from the true quantum dynamics of the lattice. Excellent agreement is found with experimental data on c-Si, a-Si:H, a-As2Se3, and a-As2S3. Results are compared with a simple physical argument based on the most-probable-potential-well method.

Reduced chromium in olivine grains from lunar basalt 15555 - X-ray Absorption Near Edge Structure (XANES)

NASA Technical Reports Server (NTRS)

Sutton, S. R.; Jones, K. W.; Gordon, B.; Rivers, M. L.; Bajt, S.; Smith, J. V.

1993-01-01

The oxidation state of Cr in 200-micron regions within individual lunar olivine and pyroxene grains from lunar basalt 15555 was inferred using X-ray Absorption Near Edge Structure (XANES). Reference materials had previously been studied by optical absorption spectroscopy and included Cr-bearing borosilicate glasses synthesized under controlled oxygen fugacity and Cr-doped olivines. The energy dependence of XANES spectral features defined by these reference materials indicated that Cr is predominantly divalent in the lunar olivine and trivalent in the pyroxene. These results, coupled with the apparent f(02)-independence of partitioning coefficients for Cr into olivine, imply that the source magma was dominated by divalent Cr at the time of olivine crystallization.

Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.

PubMed

Cruz, Carlos M; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M; Maçôas, Ermelinda; Campaña, Araceli G

2018-04-28

Herein we describe a distorted ribbon-shaped nanographene exhibiting unprecedented combination of optical properties in graphene-related materials, namely upconversion based on two-photon absorption (TPA-UC) together with circularly polarized luminescence (CPL). The compound is a graphene molecule of ca. 2 nm length and 1 nm width with edge defects that promote the distortion of the otherwise planar lattice. The edge defects are an aromatic saddle-shaped ketone unit and a [5]carbohelicene moiety. This system is shown to combine two-photon absorption and circularly polarized luminescence and a remarkably long emission lifetime of 21.5 ns. The [5]helicene is responsible for the chiroptical activity while the push-pull geometry and the extended network of sp 2 carbons are factors favoring the nonlinear absorption. Electronic structure theoretical calculations support the interpretation of the results.

Optical Kerr effect and two-photon absorption in monolayer black phosphorus

NASA Astrophysics Data System (ADS)

Margulis, Vl A.; Muryumin, E. E.; Gaiduk, E. A.

2018-05-01

A theoretical treatment of nonlinear refraction and two-photon absorption is presented for a novel two-dimensional material, monolayer black phosphorus (or phosphorene), irradiated by a normally incident and linearly polarized coherent laser beam of frequency ω. It is found that both the nonlinear refractive index n 2(ω) and the two-photon absorption coefficient α 2(ω) of phosphorene depend upon the polarization of the radiation field relative to phosphorene’s crystallographic axes. For the two principal polarization directions considered—viz, the armchair ({ \\mathcal A }{ \\mathcal C }) and zigzag ({ \\mathcal Z }{ \\mathcal Z }), the calculated values of n 2 and α 2 are distinguished by the order of their magnitude, with the n 2 and α 2 values being greater for the { \\mathcal A }{ \\mathcal C } direction. Furthermore, for almost all the incident photon energies below the fundamental absorption edge, except its neighborhood, the signs of n 2 as well as α 2 for the { \\mathcal A }{ \\mathcal C } and { \\mathcal Z }{ \\mathcal Z } polarization directions are opposed to each other. Also, for both the directions, the change of sign of n 2 is predicted to occur in the way between the two-photon absorption edge and the fundamental absorption edge, as well as in the near vicinity of the latter, where the Kerr nonlinearity has a pronounced resonant character and the magnitude of n 2 for the { \\mathcal A }{ \\mathcal C } and { \\mathcal Z }{ \\mathcal Z } polarization directions reaches its largest positive values of the order of 10‑9 and 10‑10 cm2 W‑1, respectively. The implications of the findings for practical all-optical switching applications are discussed.

Elastic properties and optical absorption studies of mixed alkali borogermanate glasses

NASA Astrophysics Data System (ADS)

Taqiullah, S. M.; Ahmmad, Shaik Kareem; Samee, M. A.; Rahman, Syed

2018-05-01

First time the mixed alkali effect (MAE) has been investigated in the glass system xNa2O-(30-x)Li2O-40B2O3- 30GeO2 (0≤x≤30 mol%) through density and optical absorption studies. The present glasses were prepared by melt quench technique. The density of the present glasses varies non-linearly exhibiting mixed alkali effect. Using the density data, the elastic moduli namely Young's modulus, bulk and shear modulus show strong linear dependence as a function of compositional parameter. From the absorption edge studies, the values of optical band gap energies for all transitions have been evaluated. It was established that the type of electronic transition in the present glass system is indirect allowed. The indirect optical band gap exhibit non-linear behavior with compositional parameter showing the mixed alkali effect.

Determination of band gap in epitaxial delafossite Cu oxide using optical techniques

NASA Astrophysics Data System (ADS)

Cabrera, Alejandro; Wheatley, R.; Seifert, B.; Wallentowitz, S.; Joshi, T.; Lederman, D.

Highly epitaxial delafossite CuFeO2 and CuFe1-xGaxO2 films were grown using Pulsed Laser Deposition techniques. The sample thicknesses were estimated to be 21 nm, 75 nm.The estimated gallium fraction of substituted ferric atoms was x =0.25 for the composite sample. We present the study of the fundamental band gap(s) for each sample via observation of their respective optical absorption properties in the NIR-VIS region using transmittance and diffuse reflection spectroscopy. Predominant absorption edges measured were between 1.1eV and 3.1eV from transmittance spectra. The sample of CuFe1-xGaxO2 showed measurable absorption features located at 2.4eV and 2.8eV. This study also found evidence of changes between apparent absorption edges between transmittance and diffuse reflectance spectroscopies of each sample and it may be resultant from absorption channels via surface states. Future photoluminescence experiments are planned to determine the photo-induced semiconductor behavior of these materials. ACNOWLEDGEMENTS: This work was supported by FONDECyT 1130372 and Proyecto Anillo ACT1409 at PUC and supported in part by the WV Higher Education Policy Commission (Grant HEPC.dsr.12.29) and by FAME sponsored by MARCO and DARPA (contract # 2013-MA-2382).

Complex Resonance Absorption Structure in the X-Ray Spectrum of IRAS 13349+2438

NASA Technical Reports Server (NTRS)

Sako, M.; Kahn, S. M.; Behar, E.; Kaastra, J. S.; Brinkman, A. C.; Boller, Th.; Puchnarewicz, E. M.; Starling, R.; Liedahl, D. A.; Clavel, J.

2000-01-01

The luminous infrared-loud quasar IRAS 13349+2438 was observed with the XMM - Newton Observatory as part of the Performance Verification program. The spectrum obtained by the Reflection Grating Spectrometer (RGS) exhibits broad (FWHM - 1400 km/s) absorption lines from highly ionized elements including hydrogen- and helium-like carbon, nitrogen, oxygen, and neon, and several iron L - shell ions (Fe XVII - XX). Also shown in the spectrum is the first astrophysical detection of a broad absorption feature around lambda = 16 - 17 A identified as an unresolved transition array (UTA) of 2p - 3d inner-shell absorption by iron M-shell ions in a much cooler medium; a feature that might be misidentified as an O VII edge when observed with moderate resolution spectrometers. No absorption edges are clearly detected in the spectrum. We demonstrate that the RGS spectrum of IRAS 13349+2438 exhibits absorption lines from two distinct regions, one of which is tentatively associated with the medium that produces the optical/UV reddening.

Transformation-optics description of plasmonic nanostructures containing blunt edges/corners: from symmetric to asymmetric edge rounding.

PubMed

Luo, Yu; Lei, Dang Yuan; Maier, Stefan A; Pendry, John B

2012-07-24

The sharpness of corners/edges can have a large effect on the optical responses of metallic nanostructures. Here we deploy the theory of transformation optics to analytically investigate a variety of blunt plasmonic structures, including overlapping nanowire dimers and crescent-shaped nanocylinders. These systems are shown to support several discrete optical modes, whose energy and line width can be controlled by tuning the nanoparticle geometry. In particular, the necessary conditions are highlighted respectively for the broadband light absorption effect and the invisibility dips that appear in the radiative spectrum. More detailed discussions are provided especially with respect to the structures with asymmetric edge rounding. These structures can support additional subradiant modes, whose interference with the neighboring dipolar modes results in a rapid change of the scattering cross-section, similar to the phenomenon observed in plasmonic Fano resonances. Finite element numerical calculations are also performed to validate the analytical predictions. The physical insights into blunt nanostructures presented in this work may be of great interest for the design of broadband light-harvesting devices, invisible and noninvasive biosensors, and slowing-light devices.

Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolf, T. J. A.; Myhre, R. H.; Cryan, J. P.

Many photoinduced processes including photosynthesis and human vision happen in organic molecules and involve coupled femtosecond dynamics of nuclei and electrons. Organic molecules with heteroatoms often possess an important excited-state relaxation channel from an optically allowed ππ* to a dark nπ* state. The ππ*/nπ* internal conversion is difficult to investigate, as most spectroscopic methods are not exclusively sensitive to changes in the excited-state electronic structure. Here, we report achieving the required sensitivity by exploiting the element and site specificity of near-edge soft X-ray absorption spectroscopy. As a hole forms in the n orbital during ππ*/nπ* internal conversion, the absorption spectrummore » at the heteroatom K-edge exhibits an additional resonance. We demonstrate the concept using the nucleobase thymine at the oxygen K-edge, and unambiguously show that ππ*/nπ* internal conversion takes place within (60 ± 30) fs. Furthermore, high-level-coupled cluster calculations confirm the method’s impressive electronic structure sensitivity for excited-state investigations.« less

Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption

DOE PAGES

Wolf, T. J. A.; Myhre, R. H.; Cryan, J. P.; ...

2017-06-22

Many photoinduced processes including photosynthesis and human vision happen in organic molecules and involve coupled femtosecond dynamics of nuclei and electrons. Organic molecules with heteroatoms often possess an important excited-state relaxation channel from an optically allowed ππ* to a dark nπ* state. The ππ*/nπ* internal conversion is difficult to investigate, as most spectroscopic methods are not exclusively sensitive to changes in the excited-state electronic structure. Here, we report achieving the required sensitivity by exploiting the element and site specificity of near-edge soft X-ray absorption spectroscopy. As a hole forms in the n orbital during ππ*/nπ* internal conversion, the absorption spectrummore » at the heteroatom K-edge exhibits an additional resonance. We demonstrate the concept using the nucleobase thymine at the oxygen K-edge, and unambiguously show that ππ*/nπ* internal conversion takes place within (60 ± 30) fs. Furthermore, high-level-coupled cluster calculations confirm the method’s impressive electronic structure sensitivity for excited-state investigations.« less

Change In The Electronic Structure And Optical Absorption Of Cuprate Delafossites Via B-site Alloying

NASA Astrophysics Data System (ADS)

Beesley, Ramon; Panapitiya, Gihan; Lewis, James; Lewis Group Team

Delafossite oxides are a family of materials with the form ABO2 , where the A-site is a monovalent cation (Cu , Ag , Au) and the B-site is a trivalent cation (Ga , Al , In). Delafossites typically have a wide optical band gap, this band gap may be tuned by adding a second B-site element forming an AB(1- x) 1B(x)2O2 alloy. We investigate changes in the electronic structure of CuAlO2 , CuGaO2 , and CuInO2 when alloyed with CuFeO2 . Using the FIREBALL program to optimize the atomic structure, calculate the total and partial density of states, calculate the valence band edge for each alloy level, and investigate the clustering factor of the second B-site atom, it is found that alloying with Fe creates midgap states caused by Fe - O interactions. From the partial density of state, each type of atoms contribution to the change in the valence band edge can be seen. Observed changes to the materials include increased optical absorption in the visible range, and symmetry breaking because of the deformation in the crystal structure. The CuFeO2 alloying percentages range from 0-5%. We are synthesizing these alloys to experimentally verify the changes in the optical absorption spectra.

In situ removal of carbon contamination from a chromium-coated mirror: ideal optics to suppress higher-order harmonics in the carbon K-edge region.

PubMed

Toyoshima, Akio; Kikuchi, Takashi; Tanaka, Hirokazu; Mase, Kazuhiko; Amemiya, Kenta

2015-11-01

Carbon-free chromium-coated optics are ideal in the carbon K-edge region (280-330 eV) because the reflectivity of first-order light is larger than that of gold-coated optics while the second-order harmonics (560-660 eV) are significantly suppressed by chromium L-edge and oxygen K-edge absorption. Here, chromium-, gold- and nickel-coated mirrors have been adopted in the vacuum ultraviolet and soft X-ray branch beamline BL-13B at the Photon Factory in Tsukuba, Japan. Carbon contamination on the chromium-coated mirror was almost completely removed by exposure to oxygen at a pressure of 8 × 10(-2) Pa for 1 h under irradiation of non-monochromated synchrotron radiation. The pressure in the chamber recovered to the order of 10(-7) Pa within a few hours. The reflectivity of the chromium-coated mirror of the second-order harmonics in the carbon K-edge region (560-660 eV) was found to be a factor of 0.1-0.48 smaller than that of the gold-coated mirror.

Effect of disorder on the optical properties of short period superlattices

NASA Technical Reports Server (NTRS)

Strozier, J. A.; Zhang, Y. A.; Horton, C.; Ignatiev, A.; Shih, H. D.

1993-01-01

The optical properties of disordered short period superlattices are studied using a one-dimensional tight-binding model. A difference vector and disorder structure factor are proposed to characterize the disordered superlattice. The density of states, participation number, and optical absorption coefficients for both ordered and disordered superlattices are calculated as a function of energy. The results show that introduction of disorder into an indirect band gap material enhances the optical transition near the indirect band edge.

Optical properties of truncated Au nanocages with different size and shape

NASA Astrophysics Data System (ADS)

Chen, Qin; Qi, Hong; Ren, Ya-Tao; Sun, Jian-Ping; Ruan, Li-Ming

2017-06-01

The hollow nanostructures are conducive to applications including drug delivery, energy storage and conversion, and catalysis. In the present work, a versatile type of Au nanoparticles, i.e. nanocage with hollow interior, was studied thoroughly. Simulation of the optical properties of nanocages with different sizes and shapes was presented, which is essential for tuning the localized surface plasmon resonance peak. The edge length, side length of triangle, and wall thickness were used as structural parameters of truncated Au nanocage. The dependence of absorption efficiency, resonant wavelength, and absorption quantum yield on the structural parameters were discussed. Meanwhile, the applications of absorption quantum yield in biomedical imaging and laser induced thermal therapy were investigated. It was found that the phenomenon of multipolar plasmon resonances exists on truncated Au nanocage. Furthermore, the electric field distribution at different resonant wavelengths was also investigated. It is found that the electromagnetic field corresponds to the dipolar mode in an individual nanocage is largely distributed at the corners. Whereas, the electromagnetic field corresponds to the multipolar region is mainly located in the internal corners and edges.

A study on optical properties of poly (ethylene oxide) based polymer electrolyte with different alkali metal iodides

NASA Astrophysics Data System (ADS)

Rao, B. Narasimha; Suvarna, R. Padma

2016-05-01

Polymer electrolytes were prepared by adding poly (ethylene glycol) dimethyl ether (PEGDME), TiO2 (nano filler), different alkali metal iodide salts RI (R+=Li+, Na+, K+, Rb+, Cs+) and I2 into Acetonitrile gelated with Poly (ethylene oxide) (PEO). Optical properties of poly (ethylene oxide) based polymer electrolytes were studied by FTIR, UV-Vis spectroscopic techniques. FTIR spectrum reveals that the alkali metal cations were coordinated to ether oxygen of PEO. The optical absorption studies were made in the wavelength range 200-800 nm. It is observed that the optical absorption increases with increase in the radius of alkali metal cation. The optical band gap for allowed direct transitions was evaluated using Urbach-edges method. The optical properties such as optical band gap, refractive index and extinction coefficient were determined. The studied polymer materials are useful for solar cells, super capacitors, fuel cells, gas sensors etc.

Structural, optical, physical and electrical properties of V2O5.SrO.B2O3 glasses.

PubMed

Sindhu, S; Sanghi, S; Agarwal, A; Seth, V P; Kishore, N

2006-05-01

The present work aims to study the structure and variation of optical band gap, density and dc electrical conductivity in vanadium strontium borate glasses. The glass systems xV2O5.(40-x)SrO.60B2O3 and xV2O5.(60-x)B2O3.40SrO with x varying from 0 to 20 mol% were prepared by normal melt quench technique. Structural studies were made by recording IR transmission spectra. The fundamental absorption edge for all the glasses was analyzed in terms of the theory proposed by Davis and Mott. The position of absorption edge and hence the value of the optical band gap was found to depend on the semiconducting glass composition. The absorption in these glasses is believed to be associated with indirect transitions. The origin of Urbach energy is associated with the phonon-assisted indirect transitions. The change in both density and molar volume was discussed in terms of the structural modifications that take place in the glass matrix on addition of V2O5. dc conductivity of the glass systems is also reported. The change of conductivity and activation energy with composition indicates that the conduction process varies from ionic to polaronic one.

Low doping concentration studies of doped PVA-Coumarin nanocomposite films

NASA Astrophysics Data System (ADS)

Tripathi, J.; Tripathi, S.; Bisen, R.; Sharma, A.; Choudhary, A.; Shripathi, T.

2016-05-01

The observations of combination of Poly (vinyl) alcohol and Coumarin properties in nanocmposite films are reported. The X-ray diffraction measurements reveal nanocrystalline nature of PVA film, which remains nanocrystalline after doping Coumarin but along with PVA peaks, additional peak due to dopant crystallinity is seen. The absorption edge shows a double edge feature, where distinct bandgaps for PVA host and dopant Coumarin are obtained. However at a higher doping wt % of 1 and 2, the absorption is mainly dominated by Coumarin and single absorption edge is observed giving a bandgap equal to that of bulk Coumarin (3.3 eV). The composite formation affects the bonding of host drastically and is seen through the bond modification in FTIR spectra. The results suggest that doping below 2 wt% is advantageous as combination of PVA and Coumarin properties are obtained but at 2 wt %, the properties are dominated by mainly Coumarin and the signature of PVA from optical properties is completely lost.

Abnormal blueshift of the absorption edge in graphene nanodots

NASA Astrophysics Data System (ADS)

Sheng, Weidong

2018-06-01

In a conventional semiconductor, when the dielectric screening effect is suppressed, the exciton binding energy increases and the corresponding excitonic transition would exhibit a redshift in the spectrum. In this work, I study the optical properties of hexagonal graphene nanodots by using a configuration interaction approach and reveal that the edge of the absorption spectrum shows an abnormal blueshift as the environmental dielectric constant ɛr decreases. The two dominant many-body effects in the nanodot: the quasiparticle and excitonic effects are both found to scale almost linearly with ɛr-1. The former is shown to have a larger proportionality constant and thus accounts for the blueshift of the absorption edge. In contrast to the long-range Coulomb interaction, the on-site Coulomb energy is found to have a negative impact on the bright excitonic states. In the presence of a strong dielectric screening effect, a strong short-range Coulomb interaction is revealed to be responsible for the disintegration of the bright exciton.

Low doping concentration studies of doped PVA-Coumarin nanocomposite films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tripathi, J., E-mail: jtripathi00@rediffmail.com; Bisen, R.; Choudhary, A.

2016-05-23

The observations of combination of Poly (vinyl) alcohol and Coumarin properties in nanocmposite films are reported. The X-ray diffraction measurements reveal nanocrystalline nature of PVA film, which remains nanocrystalline after doping Coumarin but along with PVA peaks, additional peak due to dopant crystallinity is seen. The absorption edge shows a double edge feature, where distinct bandgaps for PVA host and dopant Coumarin are obtained. However at a higher doping wt % of 1 and 2, the absorption is mainly dominated by Coumarin and single absorption edge is observed giving a bandgap equal to that of bulk Coumarin (3.3 eV). Themore » composite formation affects the bonding of host drastically and is seen through the bond modification in FTIR spectra. The results suggest that doping below 2 wt% is advantageous as combination of PVA and Coumarin properties are obtained but at 2 wt %, the properties are dominated by mainly Coumarin and the signature of PVA from optical properties is completely lost.« less

Intersubband absorption of p-type wurtzite GaN/AlN quantum well for fiber-optics telecommunication

NASA Astrophysics Data System (ADS)

Park, Seoung-Hwan; Ahn, Doyeol; Park, Chan-Yong

2017-11-01

The intersubband transition of wurtzite (WZ) p-type GaN/AlN quantum well (QW) structures grown on GaN substrate was investigated theoretically using the multiband effective-mass theory. The peak value of the TE-polarization absorption spectrum is found to be similar to that of the TM-polarization absorption spectrum. The absorption coefficients for TE- and TM-polarizations are mainly attributed to the absorption from the ground state (m1 = 1) because holes are mainly confined in ground states near the band-edge in an investigated range of the carrier density. We observe that a transition wavelength of 1.55 μm can be obtained for the QW structure with a relatively thin (˜16 Å) well width. Thus, we expect that a p-type WZ AlN/GaN heterostructure is applicable for a photodetector application for fiber-optic communications with normal incidence of wave.

Parity-Forbidden Transitions and Their Impact on the Optical Absorption Properties of Lead-Free Metal Halide Perovskites and Double Perovskites.

PubMed

Meng, Weiwei; Wang, Xiaoming; Xiao, Zewen; Wang, Jianbo; Mitzi, David B; Yan, Yanfa

2017-07-06

Using density functional theory calculations, we analyze the optical absorption properties of lead (Pb)-free metal halide perovskites (AB 2+ X 3 ) and double perovskites (A 2 B + B 3+ X 6 ) (A = Cs or monovalent organic ion, B 2+ = non-Pb divalent metal, B + = monovalent metal, B 3+ = trivalent metal, X = halogen). We show that if B 2+ is not Sn or Ge, Pb-free metal halide perovskites exhibit poor optical absorptions because of their indirect band gap nature. Among the nine possible types of Pb-free metal halide double perovskites, six have direct band gaps. Of these six types, four show inversion symmetry-induced parity-forbidden or weak transitions between band edges, making them not ideal for thin-film solar cell applications. Only one type of Pb-free double perovskite shows optical absorption and electronic properties suitable for solar cell applications, namely, those with B + = In, Tl and B 3+ = Sb, Bi. Our results provide important insights for designing new metal halide perovskites and double perovskites for optoelectronic applications.

Structural and optical properties of lead-boro-tellurrite glasses induced by gamma-ray.

PubMed

Mustafa, Iskandar Shahrim; Kamari, Halimah Mohamed; Yusoff, Wan Mohd Daud Wan; Aziz, Sidek Abdul; Rahman, Azhar Abdul

2013-02-04

Spectrophotometric studies of lead borotellurite glasses were carried out before and after gamma irradiation exposure. The increasing peak on the TeO(4) bi-pyramidal arrangement and TeO(3+1) (or distorted TeO(4)) is due to augmentation of irradiation dose which is attributed to an increase in degree of disorder of the amorphous phase. The structures of lead tellurate contain Pb(3)TeO(6) consisting of TeO(3) trigonal pyramid connected by PbO(4) tetragonal forming a three-dimensional network. The decrease of glass rigidity is due to irradiation process which is supported by the XRD diffractograms results. The decreasing values of absorption edge indicate that red shift effect occur after irradiation processes. A shift in the optical absorption edge attributed to an increase of the conjugation length. The values of optical band gap, E(opt) were calculated and found to be dependent on the glass composition and radiation exposure. Generally, an increase and decrease in Urbach's energy can be considered as being due to an increase in defects within glass network.

Structural and Optical Properties of Lead-Boro-Tellurrite Glasses Induced by Gamma-Ray

PubMed Central

Mustafa, Iskandar Shahrim; Kamari, Halimah Mohamed; Yusoff, Wan Mohd Daud Wan; Aziz, Sidek Abdul; Rahman, Azhar Abdul

2013-01-01

Spectrophotometric studies of lead borotellurite glasses were carried out before and after gamma irradiation exposure. The increasing peak on the TeO4 bi-pyramidal arrangement and TeO3+1 (or distorted TeO4) is due to augmentation of irradiation dose which is attributed to an increase in degree of disorder of the amorphous phase. The structures of lead tellurate contain Pb3TeO6 consisting of TeO3 trigonal pyramid connected by PbO4 tetragonal forming a three-dimensional network. The decrease of glass rigidity is due to irradiation process which is supported by the XRD diffractograms results. The decreasing values of absorption edge indicate that red shift effect occur after irradiation processes. A shift in the optical absorption edge attributed to an increase of the conjugation length. The values of optical band gap, Eopt were calculated and found to be dependent on the glass composition and radiation exposure. Generally, an increase and decrease in Urbach’s energy can be considered as being due to an increase in defects within glass network. PMID:23380963

Generation of sub-two-cycle millijoule infrared pulses in an optical parametric chirped-pulse amplifier and their application to soft x-ray absorption spectroscopy with high-flux high harmonics

NASA Astrophysics Data System (ADS)

Ishii, Nobuhisa; Kaneshima, Keisuke; Kanai, Teruto; Watanabe, Shuntaro; Itatani, Jiro

2018-01-01

An optical parametric chirped-pulse amplifier (OPCPA) based on bismuth triborate (BiB3O6, BIBO) crystals has been developed to deliver 1.5 mJ, 10.1 fs optical pulses around 1.6 μm with a repetition rate of 1 kHz and a stable carrier-envelope phase. The seed and pump pulses of the BIBO-based OPCPA are provided from two Ti:sapphire chirped-pulse amplification (CPA) systems. In both CPA systems, transmission gratings are used in the stretchers and compressors that result in a high throughput and robust operation without causing any thermal problem and optical damage. The seed pulses of the OPCPA are generated by intrapulse frequency mixing of a spectrally broadened continuum, temporally stretched to approximately 5 ps then, and amplified to more than 1.5 mJ. The amplified pulses are compressed in a fused silica block down to 10.1 fs. This BIBO-based OPCPA has been applied to high-flux high harmonic generation beyond the carbon K edge at 284 eV. The high-flux soft-x-ray continuum allows measuring the x-ray absorption near-edge structure of the carbon K edge within 2 min, which is shorter than a typical measurement time using synchrotron-based light sources. This laser-based table-top soft-x-ray source is a promising candidate for ultrafast soft x-ray spectroscopy with femtosecond to attosecond time resolution.

Effect of substrates and thickness on optical properties in atomic layer deposition grown ZnO thin films

NASA Astrophysics Data System (ADS)

Pal, Dipayan; Singhal, Jaya; Mathur, Aakash; Singh, Ajaib; Dutta, Surjendu; Zollner, Stefan; Chattopadhyay, Sudeshna

2017-11-01

Atomic Layer Deposition technique was used to grow high quality, very low roughness, crystalline, Zinc Oxide (ZnO) thin films on silicon (Si) and fused quartz (SiO2) substrates to study the optical properties. Spectroscopic ellipsometry results of ZnO/Si system, staggered type-II quantum well, demonstrate that there is a significant drop in the magnitudes of both the real and imaginary parts of complex dielectric constants and in near-band gap absorption along with a blue shift of the absorption edge with decreasing film thickness at and below ∼20 nm. Conversely, UV-vis absorption spectroscopy of ZnO/SiO2, thin type-I quantum well, consisting of a narrower-band gap semiconductor grown on a wider-band gap (insulator) substrate, shows the similar thickness dependent blue-shift of the absorption edge but with an increase in the magnitude of near-band gap absorption with decreasing film thickness. Thickness dependent blue shift, energy vs. 1/d2, in two different systems, ZnO/Si and ZnO/SiO2, show a difference in their slopes. The observed phenomena can be consistently explained by the corresponding exciton (or carrier/s) deconfinement and confinement effects at the ZnO/Si and ZnO/SiO2 interface respectively, where Tanguy-Elliott amplitude pre-factor plays the key role through the electron-hole overlap factor at the interface.

Static and dynamic optical properties of La 1-xSr xFeO 3-δ: The effects of A-site and oxygen stoichiometry

DOE PAGES

Sergey Y. Smolin; Sfeir, Matthew Y.; Scafetta, Mark D.; ...

2015-12-09

Perovskite oxides are a promising material class for photovoltaic and photocatalytic applications due to their visible band gaps, nanosecond recombination lifetimes, and great chemical diversity. However, there is limited understanding of the link between composition and static and dynamic optical properties, despite the critical role these properties play in the design of light-harvesting devices. To clarify these relationships, we systemically studied the optoelectronic properties in La 1-xSr xFeO 3-δ epitaxial films, uncovering the effects of A-site cation substitution and oxygen stoichiometry. Variable-angle spectroscopic ellipsometry was used to measure static optical properties, revealing a linear increase in absorption coefficient at 1.25more » eV and a red-shifting of the optical absorption edge with increasing Sr fraction. The absorption spectra can be similarly tuned through the introduction of oxygen vacancies, indicating the critical role that nominal Fe valence plays in optical absorption. Dynamic optoelectronic properties were studied with ultrafast transient reflectance spectroscopy, revealing similar nanosecond photoexcited carrier lifetimes for oxygen deficient and stoichiometric films with the same nominal Fe valence. Furthermore, these results demonstrate that while the static optical absorption is strongly dependent on nominal Fe valence tuned through cation or anion stoichiometry, oxygen vacancies do not appear to play a significantly detrimental role in the recombination kinetics.« less

X-Ray Laser Applications Study

DTIC Science & Technology

1977-07-01

in optical waveguides). All of these devices, if they can be economically fabri - cated, will displace existing components in high technology...characteristic absorption edges in creating a band pass effect. They found for example that the use of gadolinium filtration increased the contrast for

Ferromagnetism regulated by edged cutting and optical identification in monolayer PtSe2 nanoribbons

NASA Astrophysics Data System (ADS)

Meng, Ming; Zhang, QiZhen; Wang, Lifen; Shan, Yun; Du, Yuandong; Qin, Nan; Liu, Lizhe

2018-06-01

Regulation of ferromagnetism and electronic structure in PtSe2 nanostructures has attracted much attention because of its potential in spintronics. The magnetic and optical properties of PtSe2 nanoribbons with different edge reconstruction and external deformations are calculated by density function theory. In 1 T phase PtSe2 nanoribbons, the ferromagnetism induced by spin polarization of exposed Pt or Se atoms is decreased with the reducing nanoribbon width. For smaller nanoribbon, the magnetism can be regulated by external strain more easily. However, the magnetism cannot occur in 1 H phase PtSe2 nanoribbon. The absorption spectra are suggested to identify the nanoribbon structural changes in detail. Our results suggest the use of edge reconstruction and strain engineering in spintronics applications.

Astronomy (communication arising): black holes, fleas and microlithography.

PubMed

Skinner, Gerry; Gorenstein, Paul

2003-11-20

Fresnel lenses allow almost perfect imaging in widely different circumstances, but their focus is perfect only for a single wavelength. Wang et al. have shown how the effective bandpass may be widened for X-ray microscopy by using a compound diffractive/refractive lens near to an absorption edge. A compound lens has also been proposed for high-energy astronomy, working well above all absorption edges. Although the scale is very different, we point out here that the principle is the same. Ever since Galileo constructed an astronomical telescope that he was able to reconfigure to study fleas and gnats, astronomy and microscopy have relied on optics that are closely related, but different in detail.

XAFSmass: a program for calculating the optimal mass of XAFS samples

NASA Astrophysics Data System (ADS)

Klementiev, K.; Chernikov, R.

2016-05-01

We present a new implementation of the XAFSmass program that calculates the optimal mass of XAFS samples. It has several improvements as compared to the old Windows based program XAFSmass: 1) it is truly platform independent, as provided by Python language, 2) it has an improved parser of chemical formulas that enables parentheses and nested inclusion-to-matrix weight percentages. The program calculates the absorption edge height given the total optical thickness, operates with differently determined sample amounts (mass, pressure, density or sample area) depending on the aggregate state of the sample and solves the inverse problem of finding the elemental composition given the experimental absorption edge jump and the chemical formula.

Ultrafast X-Ray Absorption Spectroscopy of Isochorically Heated Warm Dense Matter

NASA Astrophysics Data System (ADS)

Engelhorn, Kyle Craig

This dissertation will present a series of new tools, together with new techniques, focused on the understanding of warm and dense matter. We report on the development of a high time resolution and high detection efficiency x-ray camera. The camera is integrated with a short pulse laser and an x-ray beamline at the Advanced Light Source synchrotron. This provides an instrument for single shot, broadband x-ray absorption spectroscopy of warm and dense matter with 2 picosecond time resolution. Warm and dense matter is created by isochorically heating samples of known density with an ultrafast optical laser pulse, and X-ray absorption spectroscopy probes the unoccupied electronic density of states before the onset of hydrodynamic expansion and electron-ion equilibrium is reached. Measured spectra from a variety of materials are compared with first principle molecular dynamics and density functional theory calculations. In heated silicon dioxide spectra, two novel pre-edge features are observed, a peak below the band gap and absorption within the band gap, while a reduction was observed in the features above the edge. From consideration of the calculated spectra, the peak below the gap is attributed to valence electrons that have been promoted to the conduction band, the absorption within the gap is attributed to broken Si-O bonds, and the reduction above the edge is attributed to an elevated ionic temperature. In heated copper spectra, a time-dependent shift and broadening of the absorption edge are observed, consistent with and elevated electron temperature. The temporal evolution of the electronic temperature is accurately determined by fitting the measured spectra with calculated spectra. The electron-ion equilibration is studied with a two-temperature model. In heated nickel spectra, a shift of the absorption edge is observed. This shift is found to be inconsistent with calculated spectra and independent of incident laser fluence. A shift of the chemical potential is applied to the calculated spectra to obtain satisfactory agreement with measured spectra.

Theoretical and experimental investigation of optical absorption anisotropy in β-Ga2O3.

PubMed

Ricci, F; Boschi, F; Baraldi, A; Filippetti, A; Higashiwaki, M; Kuramata, A; Fiorentini, V; Fornari, R

2016-06-08

The question of optical bandgap anisotropy in the monoclinic semiconductor β-Ga2O3 was revisited by combining accurate optical absorption measurements with theoretical analysis, performed using different advanced computation methods. As expected, the bandgap edge of bulk β-Ga2O3 was found to be a function of light polarization and crystal orientation, with the lowest onset occurring at polarization in the ac crystal plane around 4.5-4.6 eV; polarization along b unambiguously shifts the onset up by 0.2 eV. The theoretical analysis clearly indicates that the shift in the b onset is due to a suppression of the transition matrix elements of the three top valence bands at Γ point.

10J water-cooled DPSSL system based on Yb:YAG crystal edge-cladded by Cr:YAG ceramics (Conference Presentation)

NASA Astrophysics Data System (ADS)

Zheng, Jian-Gang; Yan, Xiongwei; Jiang, Xinying; Wang, Zhenguo; Li, Mingzhong; Zhang, Jun; Zhu, Qihua; Zheng, Wanguo

2017-05-01

Laser Inertial Fusion Energy (IFE) has been attracting the interests of the researchers around the world, because of the promising to the future energy. The Yb:YAG was broadly used in the research field of high-peak power and large energy laser with repetition-rate for IFE because of its outstanding performance, including significant thermal and mechanical capacities, long upper energy level lifetime, high quantum efficiency and highly doping capacity. But it exhibits high saturation fluence at room temperature because of the small emission and absorption cross-section. And at the same time this gain material exhibits self-absorption of laser because of the thermal population at lower laser level at room temperature. Ant it appears to have been solved by means of the cryogenic temperature, but the total efficiency of the laser system will be decreased as the use of cryogenic temperature. The amplified spontaneous emission (ASE) effect of the amplifier can be relaxed by means of edge-cladded absorption material. And the difficulties of edge cladding can be will solved as the emergence of ceramics. But at present the ceramics exhibits high scattering and many disfigurements, which limited the application in the high-power large-energy laser system. So the edge-cladding of Yb:YAG crystal will be a key issue for solution the ASE in amplifier. In this paper, we will introduce a 10J water-cooled DPSSL system, based on Yb:YAG crystal at room temperature. In this system a new edge cladding method has been used, that the Yb:YAG crystal was edge cladded by Cr:YAG ceramics, which was used as the absorption material of ASE. The amplifier was an active mirror water-cooled room temperature amplifier. With the help of this edge cladding the ASE has been lowered, and about 5 times small signal gain has been obtained in a single pass amplification, which was much higher than the earlier of 2 times. And the wavefront aberrance of the laser beam was also reduced due to the thermal equilibrium between the edge cladding and the gain region. the amplifiers can be stably operated under 10Hz. Finally the output of the laser system was about 7.15J@10Hz and 10.8J@1-2Hz. The total optical-to-optical efficiency was about 8.3% for 1-2Hz (under the condition of 120kW/1ms pumping, 880mJ input and 10.8J output) and 5.6% for 10Hz.

Electron Spin Resonance and optical absorption spectroscopic studies of manganese centers in aluminium lead borate glasses.

PubMed

SivaRamaiah, G; LakshmanaRao, J

2012-12-01

Electron Spin Resonance (ESR) and optical absorption studies of 5Al(2)O(3)+75H(3)BO(3)+(20-x)PbO+xMnSO(4) (where x=0.5, 1,1.5 and 2 mol% of MnSO(4)) glasses at room temperature have been studied. The ESR spectrum of all the glasses exhibits resonance signals with effective isotropic g values at ≈2.0, 3.3 and 4.3. The ESR resonance signal at isotropic g≈2.0 has been attributed to Mn(2+) centers in an octahedral symmetry. The ESR resonance signals at isotropic g≈3.3 and 4.3 have been attributed to the rhombic symmetry of the Mn(2+) ions. The zero-field splitting parameter (zfs) has been calculated from the intensities of the allowed hyperfine lines. The optical absorption spectrum exhibits an intense band in the visible region and it has been attributed to (5)E(g)→(5)T(2g) transition of Mn(3+)centers in an octahedral environment. The optical band gap and the Urbach energies have been calculated from the ultraviolet absorption edges. Copyright © 2012 Elsevier B.V. All rights reserved.

Influence of the aggregate state on band structure and optical properties of C60 computed with different methods

NASA Astrophysics Data System (ADS)

Pal, Amrita; Arabnejad, Saeid; Yamashita, Koichi; Manzhos, Sergei

2018-05-01

C60 and C60 based molecules are efficient acceptors and electron transport layers for planar perovskite solar cells. While properties of these molecules are well studied by ab initio methods, those of solid C60, specifically its optical absorption properties, are not. We present a combined density functional theory-Density Functional Tight Binding (DFTB) study of the effect of solid state packing on the band structure and optical absorption of C60. The valence and conduction band edge energies of solid C60 differ on the order of 0.1 eV from single molecule frontier orbital energies. We show that calculations of optical properties using linear response time dependent-DFT(B) or the imaginary part of the dielectric constant (dipole approximation) can result in unrealistically large redshifts in the presence of intermolecular interactions compared to available experimental data. We show that optical spectra computed from the frequency-dependent real polarizability can better reproduce the effect of C60 aggregation on optical absorption, specifically with a generalized gradient approximation functional, and may be more suited to study effects of molecular aggregation.

Role of Mn2+ concentration in the linear and nonlinear optical properties of Ni1-xMnxSe nanoparticles

NASA Astrophysics Data System (ADS)

Anugop, B.; Prasanth, S.; Rithesh Raj, D.; Vineeshkumar, T. V.; Pranitha, S.; Mahadevan Pillai, V. P.; Sudarsanakumar, C.

2016-12-01

Ni1-xMnxSe nanoparticles (x = 0.1, 0.3, 0.5, 0.7, 0.9) were successfully synthesized by chemical co-precipitation method and their structural and optical properties were studied using X-ray diffraction, transmission electron microscopy, UV-Visible absorption and photo luminescence spectroscopy. XRD pattern reveals the hexagonal structure of the particles and the peak positions were shifted to higher 2θ values with increase in Mn2+ concentration. The average particle size determined from XRD varies from 6 to 11 nm. The UV-Visible absorption spectrum shows absorption edge around the blue region and is red-shifted with increasing Mn2+ concentration consequently the optical bandgap energy is decreasing. The PL emission spectrum shows a broad emission around 380 nm, and the intensity of the emission decreases with increase in Mn2+ concentration. The nonlinear optical properties of the samples were analysed using Z-scan technique and the samples show optical limiting behaviour and the 2 PA coefficient increases with increasing Mn2+ concentration. Overall, manganese concentration influences the linear and nonlinear optical properties of Ni1-xMnxSe nanoparticles.

Analysis of buried interfaces in multilayer mirrors using grazing incidence extreme ultraviolet reflectometry near resonance edges.

PubMed

Sertsu, M G; Nardello, M; Giglia, A; Corso, A J; Maurizio, C; Juschkin, L; Nicolosi, P

2015-12-10

Accurate measurements of optical properties of multilayer (ML) mirrors and chemical compositions of interdiffusion layers are particularly challenging to date. In this work, an innovative and nondestructive experimental characterization method for multilayers is discussed. The method is based on extreme ultraviolet (EUV) reflectivity measurements performed on a wide grazing incidence angular range at an energy near the absorption resonance edge of low-Z elements in the ML components. This experimental method combined with the underlying physical phenomenon of abrupt changes of optical constants near EUV resonance edges enables us to characterize optical and structural properties of multilayers with high sensitivity. A major advantage of the method is to perform detailed quantitative analysis of buried interfaces of multilayer structures in a nondestructive and nonimaging setup. Coatings of Si/Mo multilayers on a Si substrate with period d=16.4  nm, number of bilayers N=25, and different capping structures are investigated. Stoichiometric compositions of Si-on-Mo and Mo-on-Si interface diffusion layers are derived. Effects of surface oxidation reactions and carbon contaminations on the optical constants of capping layers and the impact of neighboring atoms' interactions on optical responses of Si and Mo layers are discussed.

Photocatalytic activity of silicon-based nanoflakes for the decomposition of nitrogen monoxide.

PubMed

Itahara, Hiroshi; Wu, Xiaoyong; Imagawa, Haruo; Yin, Shu; Kojima, Kazunobu; Chichibu, Shigefusa F; Sato, Tsugio

2017-07-04

The photocatalytic decomposition of nitrogen monoxide (NO) was achieved for the first time using Si-based nanomaterials. Nanocomposite powders composed of Si nanoflakes and metallic particles (Ni and Ni 3 Si) were synthesized using a simple one-pot reaction of layered CaSi 2 and NiCl 2 . The synthesized nanocomposites have a wide optical absorption band from the visible to the ultraviolet. Under the assumption of a direct transition, the photoabsorption behavior is well described and an absorption edge of ca. 1.8 eV is indicated. Conventional Si and SiO powders with indirect absorption edges of 1.1 and 1.4 eV, respectively, exhibit considerably low photocatalytic activities for NO decomposition. In contrast, the synthesized nanocomposites exhibited photocatalytic activities under irradiation with light at wavelengths >290 nm (<4.28 eV). The photocatalytic activities of the nanocomposites were confirmed to be constant and did not degrade with the light irradiation time.

Controlling the optical properties of polyaniline doped by boric acid particles by changing their doping agent and initiator concentration

NASA Astrophysics Data System (ADS)

Cabuk, Mehmet; Gündüz, Bayram

2017-12-01

In this study, polyaniline doped by boric acid (PAni:BA) conducting polymers were chemically synthesized by oxidative polymerization method using (NH4)2S208 (APS) as initiator. Pani:BA conducting polymers were synthesized by using two different APS/aniline molar ratios as 1:1 and 2:1. Their results were compared with PAni doped by HCl (PAni) conducting polymer. Structural properties of the PAni, PAni:BA (1:1) and PAni:BA (2:1) conducting polymers were characterized by using FTIR, SEM, TGA, particle size and apparent density measurements. Effects of doping agents and initiator concentrations on optical properties were investigated in detail. The optoelectronic parameters such as absorption band edge, molar extinction coefficient, direct allowed band gap, refractive index, optical conductance and electrical conductance of the PAni, PAni:BA (1:1) and PAni:BA (2:1) were determined. The absorption band edge and direct allowed band gap of PAni were decreased with doping BA and increasing APS ratio. Also, the refractive index values of the materials were calculated from experimental results and compared with obtained results from Moss, Ravindra, Herve-Vandamme, Reddy and Kumar-Singh relations.

Ca L2,3-edge XANES and Sr K-edge EXAFS study of hydroxyapatite and fossil bone apatite.

PubMed

Zougrou, I M; Katsikini, M; Brzhezinskaya, M; Pinakidou, F; Papadopoulou, L; Tsoukala, E; Paloura, E C

2016-08-01

Upon burial, the organic and inorganic components of hard tissues such as bone, teeth, and tusks are subjected to various alterations as a result of interactions with the chemical milieu of soil, groundwater, and presence of microorganisms. In this study, simulation of the Ca L 2,3-edge X-ray absorption near edge structure (XANES) spectrum of hydroxyapatite, using the CTM4XAS code, reveals that the different symmetry of the two nonequivalent Ca(1) and Ca(2) sites in the unit cell gives rise to specific spectral features. Moreover, Ca L 2,3-edge XANES spectroscopy is applied in order to assess variations in fossil bone apatite crystallinity due to heavy bacterial alteration and catastrophic mineral dissolution, compared to well-preserved fossil apatite, fresh bone, and geologic apatite reference samples. Fossilization-induced chemical alterations are investigated by means of Ca L 2,3-edge XANES and scanning electron microscopy (SEM) and are related to histological evaluation using optical microscopy images. Finally, the variations in the bonding environment of Sr and its preference for substitution in the Ca(1) or Ca(2) sites upon increasing the Sr/Ca ratio is assessed by Sr K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy.

Ca L2,3-edge XANES and Sr K-edge EXAFS study of hydroxyapatite and fossil bone apatite

NASA Astrophysics Data System (ADS)

Zougrou, I. M.; Katsikini, M.; Brzhezinskaya, M.; Pinakidou, F.; Papadopoulou, L.; Tsoukala, E.; Paloura, E. C.

2016-08-01

Upon burial, the organic and inorganic components of hard tissues such as bone, teeth, and tusks are subjected to various alterations as a result of interactions with the chemical milieu of soil, groundwater, and presence of microorganisms. In this study, simulation of the Ca L 2,3-edge X-ray absorption near edge structure (XANES) spectrum of hydroxyapatite, using the CTM4XAS code, reveals that the different symmetry of the two nonequivalent Ca(1) and Ca(2) sites in the unit cell gives rise to specific spectral features. Moreover, Ca L 2,3-edge XANES spectroscopy is applied in order to assess variations in fossil bone apatite crystallinity due to heavy bacterial alteration and catastrophic mineral dissolution, compared to well-preserved fossil apatite, fresh bone, and geologic apatite reference samples. Fossilization-induced chemical alterations are investigated by means of Ca L 2,3-edge XANES and scanning electron microscopy (SEM) and are related to histological evaluation using optical microscopy images. Finally, the variations in the bonding environment of Sr and its preference for substitution in the Ca(1) or Ca(2) sites upon increasing the Sr/Ca ratio is assessed by Sr K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy.

Specific absorption and backscatter coefficient signatures in southeastern Atlantic coastal waters

NASA Astrophysics Data System (ADS)

Bostater, Charles R., Jr.

1998-12-01

Measurements of natural water samples in the field and laboratory of hyperspectral signatures of total absorption and reflectance were obtained using long pathlength absorption systems (50 cm pathlength). Water was sampled in Indian River Lagoon, Banana River and Port Canaveral, Florida. Stations were also occupied in near coastal waters out to the edge of the Gulf Stream in the vicinity of Kennedy Space Center, Florida and estuarine waters along Port Royal Sound and along the Beaufort River tidal area in South Carolina. The measurements were utilized to calculate natural water specific absorption, total backscatter and specific backscatter optical signatures. The resulting optical cross section signatures suggest different models are needed for the different water types and that the common linear model may only appropriate for coastal and oceanic water types. Mean particle size estimates based on the optical cross section, suggest as expected, that particle size of oceanic particles are smaller than more turbid water types. The data discussed and presented are necessary for remote sensing applications of sensors as well as for development and inversion of remote sensing algorithms.

Broadband interference lithography at extreme ultraviolet and soft x-ray wavelengths.

PubMed

Mojarad, Nassir; Fan, Daniel; Gobrecht, Jens; Ekinci, Yasin

2014-04-15

Manufacturing efficient and broadband optics is of high technological importance for various applications in all wavelength regimes. Particularly in the extreme ultraviolet and soft x-ray spectra, this becomes challenging due to the involved atomic absorption edges that rapidly change the optical constants in these ranges. Here we demonstrate a new interference lithography grating mask that can be used for nanopatterning in this spectral range. We demonstrate photolithography with cutting-edge resolution at 6.5 and 13.5 nm wavelengths, relevant to the semiconductor industry, as well as using 2.5 and 4.5 nm wavelength for patterning thick photoresists and fabricating high-aspect-ratio metal nanostructures for plasmonics and sensing applications.

Electronic and optical properties of GaN/AlN quantum dots with adjacent threading dislocations

NASA Astrophysics Data System (ADS)

Ye, Han; Lu, Peng-Fei; Yu, Zhong-Yuan; Yao, Wen-Jie; Chen, Zhi-Hui; Jia, Bo-Yong; Liu, Yu-Min

2010-04-01

We present a theory to simulate a coherent GaN QD with an adjacent pure edge threading dislocation by using a finite element method. The piezoelectric effects and the strain modified band edges are investigated in the framework of multi-band k · p theory to calculate the electron and the heavy hole energy levels. The linear optical absorption coefficients corresponding to the interband ground state transition are obtained via the density matrix approach and perturbation expansion method. The results indicate that the strain distribution of the threading dislocation affects the electronic structure. Moreover, the ground state transition behaviour is also influenced by the position of the adjacent threading dislocation.

Order and disorder and their influences on optical absorption of glasses in the gap region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baník, Ivan, E-mail: ivan.banik@stuba.sk; Kubliha, Marian, E-mail: marian.kubliha@stuba.sk; Lukovičová, Jozefa, E-mail: jozefa.lukovicova@stuba.sk

2016-07-07

The exponential increase of the absorption coefficient near the absorption edge is usually explained by existence of the density-of-states tails. Among the quoted theoretical models which are widely used to explain the manifestations of the Urbach rule in semiconductors, are the Sumi–Toyozava and the Dow–Redfield models and ab initio (from beginning) theory. Our barrier-cluster-heating model assumes the different creating mechanism of exponential tails. The energy by optical transition is provided to electrons except from photons also from vibration of microregion. It deals about the replenishment of absented photons energy, which is smaller as gap width. Absented energy needed for themore » transition by light absorption is accumulated in certain microregions of material in the form of vibrational energy. At absorption sufficiently big package of accumulated energy can be used. Energy of emptied microarea is filled by phonons from surrounding of microarea (as result of temperature status of surrounding), resp. phonons of optical background which are created in given microarea at non radiative recombination of carriers. In this work simplified process at derivating of Urbach rule is listed.« less

Optical characteristics of butyl rubber loaded with general purpose furnace (GPF) carbon black

NASA Astrophysics Data System (ADS)

Alfaramawi, K.

2018-06-01

Optical characteristics of butyl rubber/GPF carbon black (BR/GPFCB) composites with carbon black (CB) concentrations 40, 60, 80 and 100 phr (part per hundred part of rubber) were investigated. The structure of the BR/GPFCB composites was analyzed by x-ray diffraction (XRD). All samples with various CB showed diffraction peaks around 2θ = 14°, 25° and 44° which correspond to interlayer spacing of 6.23 Å, 3.62 Å and 2.10 Å respectively. The peaks were shifted toward larger 2θ angles with increasing CB concentration, indicating a decrease in layer spacing. Ultraviolet and visible (UV–vis) absorbance spectra in the range from 200 nm to 800 nm of the BR/GPFCB composites were studied. In the UV range of the spectra, an absorption edge was recorded. Direct and indirect optical band gaps for the composites were evaluated. The direct band gap values were found-as shown to be slightly greater than that of the indirect ones. The reflectance spectra in the UV optical range were demonstrated. Most of the incident UV light was absorbed inside the composites while a very small fraction was reflected and transmitted. This was attributed to the high UV absorption property of the CB filler. The refractive index of the composite was calculated from the reflectance data. The dependence of the real and imaginary parts of the complex dielectric constant on the incident light energy was characterized. The dielectric loss factor was found to decrease with increasing incident photon energy until approximately 5.5 eV (around the absorption edge) and then it increased rapidly.

Sol-gel synthesis and optical properties of titanium dioxide thin film

NASA Astrophysics Data System (ADS)

Ullah, Irfan; Khattak, Shaukat Ali; Ahmad, Tanveer; Saman; Ludhi, Nayab Ali

2018-03-01

The titanium dioxide (TiO2) is synthesized by sol-gel method using titanium-tetra-iso-propoxide (TTIP) as a starting material, and deposited on the pre-cleaned glass substrate using spin coating technique at optimized parameters. Energy dispersive X-ray (EDX) spectroscopy confirms successful TiO2 growth. The optical properties concerning the transmission and absorption spectra show 85% transparency and 3.28 eV wide optical band gap for indirect transition, calculated from absorbance. The exponential behavior of absorption edge is observed and attributed to the localized states electronic transitions, curtailed in the indirect band gap of the thin film. The film reveals decreasing refractive index with increasing wavelength. The photoluminescence (PL) study ascertains that luminescent properties are due to the surface defects.

Electromagnetic properties of impure superconductors with pair-breaking processes

NASA Astrophysics Data System (ADS)

Herman, František; Hlubina, Richard

2017-07-01

Recently, a generic model was proposed for the single-particle properties of gapless superconductors with simultaneously present pair-conserving and pair-breaking impurity scatterings (the so-called Dynes superconductors). Here we calculate the optical conductivity of the Dynes superconductors. Our approach is applicable for all disorder strengths from the clean limit up to the dirty limit and for all relative ratios of the two types of scattering; nevertheless, the complexity of our description is equivalent to that of the widely used Mattis-Bardeen theory. We identify two optical fingerprints of the Dynes superconductors: (i) the presence of two absorption edges and (ii) finite absorption at vanishing frequencies even at the lowest temperatures. We demonstrate that the recent anomalous optical data on thin MoN films can be reasonably fitted by our theory.

Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence† †Electronic supplementary information (ESI) available: General details, synthesis and spectroscopy data of new compounds. Experimental details on optical, chiroptical, electrochemical and on-surface measurements. Crystal data and structure refinement of compounds 1, and 6. Further details on theoretical calculations and Cartesian coordinates of computed structures. VT-H1NMR, 2D-NMR and HRMS spectra of 1. CCDC 1561552 and 1561553. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8sc00427g

PubMed Central

Cruz, Carlos M.; Márquez, Irene R.; Mariz, Inês F. A.; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M.; Martín-Gago, José A.; Cuerva, Juan M.

2018-01-01

Herein we describe a distorted ribbon-shaped nanographene exhibiting unprecedented combination of optical properties in graphene-related materials, namely upconversion based on two-photon absorption (TPA-UC) together with circularly polarized luminescence (CPL). The compound is a graphene molecule of ca. 2 nm length and 1 nm width with edge defects that promote the distortion of the otherwise planar lattice. The edge defects are an aromatic saddle-shaped ketone unit and a [5]carbohelicene moiety. This system is shown to combine two-photon absorption and circularly polarized luminescence and a remarkably long emission lifetime of 21.5 ns. The [5]helicene is responsible for the chiroptical activity while the push–pull geometry and the extended network of sp2 carbons are factors favoring the nonlinear absorption. Electronic structure theoretical calculations support the interpretation of the results. PMID:29780523

Optical absorption of Mg-doped layers and InGaN quantum wells on c-plane and semipolar GaN structures

NASA Astrophysics Data System (ADS)

Sizov, Dmitry; Bhat, Rajaram; Zah, Chung-en

2013-05-01

We studied optical absorption of Mg-doped AlInGaN layers using excitation-position dependent and polarization resolved photoluminescence from the slab-waveguide edge of a laser structure. The major absorption in the Mg-doped layers was found only when p-doping is activated. It increases with the removal of residual hydrogen, which in case of Mg doping is a p-type passivation impurity, and reversibly disappears after passivation by hydrogen. This absorption is weakly wavelength and temperature dependent, and isotropic. This can be attributed to acceptor-bound hole absorption, because those holes concentration is nearly equal to that of activated acceptors and weakly temperature dependent (unlike the free hole concentration, which is much lower and is an exponential function of temperature due to high ionization energy). The cross section of photon absorption on such activated acceptor was quantified to be in the order of 10-17 cm-2. The absorption cross section of free electrons was found to be at least one order of magnitude lower and below detection limit. The same technique was used to experimentally quantify band structure polarization components along basis directions for green InGaN quantum wells (QWs) grown on c- and semipolar planes. The A1 and B1 valence subbands of c-plane QW were found to comprise mostly |X⟩ and |Y⟩ states. There was rather minor amount of |Z⟩ states with average square fraction of only 0.02. In (20-21) plane, due to small band anticrossing near gamma-point, we observed highly polarized absorption edges of A1- and B1-subbands consisting mainly of |Y⟩ and |X⟩ states, respectively, and found their energy splitting to be ˜40 meV. For (11-22) plane with smaller band splitting and polarization, we observed polarization switching with indium (In) concentration greater than 30% in the QW (or photon energy less than 2.3 eV). We confirmed our study of valence band structures by optical gain measurements.

Yb- and Er-doped fiber laser Q-switched with an optically uniform, broadband WS2 saturable absorber

PubMed Central

Zhang, M.; Hu, Guohua; Hu, Guoqing; Howe, R. C. T.; Chen, L.; Zheng, Z.; Hasan, T.

2015-01-01

We demonstrate a ytterbium (Yb) and an erbium (Er)-doped fiber laser Q-switched by a solution processed, optically uniform, few-layer tungsten disulfide saturable absorber (WS2-SA). Nonlinear optical absorption of the WS2-SA in the sub-bandgap region, attributed to the edge-induced states, is characterized by 3.1% and 4.9% modulation depths with 1.38 and 3.83 MW/cm2 saturation intensities at 1030 and 1558 nm, respectively. By integrating the optically uniform WS2-SA in the Yb- and Er-doped laser cavities, we obtain self-starting Q-switched pulses with microsecond duration and kilohertz repetition rates at 1030 and 1558 nm. Our work demonstrates broadband sub-bandgap saturable absorption of a single, solution processed WS2-SA, providing new potential efficacy for WS2 in ultrafast photonic applications. PMID:26657601

Direct measurement of the static and transient magneto-optical permittivity of cobalt across the entire M -edge in reflection geometry by use of polarization scanning

NASA Astrophysics Data System (ADS)

Zusin, Dmitriy; Tengdin, Phoebe M.; Gopalakrishnan, Maithreyi; Gentry, Christian; Blonsky, Adam; Gerrity, Michael; Legut, Dominik; Shaw, Justin M.; Nembach, Hans T.; Silva, T. J.; Oppeneer, Peter M.; Kapteyn, Henry C.; Murnane, Margaret M.

2018-01-01

The microscopic state of a magnetic material is characterized by its resonant magneto-optical response through the off-diagonal dielectric tensor component ɛx y. However, the measurement of the full complex ɛx y in the extreme ultraviolet spectral region covering the M absorption edges of 3 d ferromagnets is challenging due to the need for either a careful polarization analysis, which is complicated by a lack of efficient polarization analyzers, or scanning the angle of incidence in fine steps. Here, we propose and demonstrate a technique to extract the complex resonant permittivity ɛx y simply by scanning the polarization angle of linearly polarized high harmonics to measure the magneto-optical asymmetry in reflection geometry. Because this technique is more practical and faster to experimentally implement than previous approaches, we can directly measure the full time evolution of ɛx y(t ) during laser-induced demagnetization across the entire M2 ,3 absorption edge of cobalt with femtosecond time resolution. We find that for polycrystalline Co films on an insulating substrate, the changes in ɛx y are uniform throughout the spectrum, to within our experimental precision. This result suggests that, in the regime of strong demagnetization, the ultrafast demagnetization response is primarily dominated by magnon generation. We estimate the contribution of exchange-splitting reduction to the ultrafast demagnetization process to be no more than 25%.

Study of the Radiative Properties of Inhomogeneous Stratocumulus Clouds

NASA Technical Reports Server (NTRS)

Batey, Michael

1996-01-01

Clouds play an important role in the radiation budget of the atmosphere. A good understanding of how clouds interact with solar radiation is necessary when considering their effects in both general circulation models and climate models. This study examined the radiative properties of clouds in both an inhomogeneous cloud system, and a simplified cloud system through the use of a Monte Carlo model. The purpose was to become more familiar with the radiative properties of clouds, especially absorption, and to investigate the excess absorption of solar radiation from observations over that calculated from theory. The first cloud system indicated that the absorptance actually decreased as the cloud's inhomogeneity increased, and that cloud forcing does not indicate any changes. The simplified cloud system looked at two different cases of absorption of solar radiation in the cloud. The absorptances calculated from the Monte Carlo is compared to a correction method for calculating absorptances and found that the method can over or underestimate absorptances at cloud edges. Also the cloud edge effects due to solar radiation points to a possibility of overestimating the retrieved optical depth at the edge, and indicates a possible way to correct for it. The effective cloud fraction (Ne) for a long time has been calculated from a cloud's reflectance. From the reflectance it has been observed that the N, for most cloud geometries is greater than the actual cloud fraction (Nc) making a cloud appear wider than it is optically. Recent studies we have performed used a Monte Carlo model to calculate the N, of a cloud using not only the reflectance but also the absorptance. The derived Ne's from the absorptance in some of the Monte Carlo runs did not give the same results as derived from the reflectance. This study also examined the inhomogeneity of clouds to find a relationship between larger and smaller scales, or wavelengths, of the cloud. Both Fourier transforms and wavelet transforms were used to analyze the liquid water content of marine stratocumulus clouds taken during the ASTEX project. From the analysis it was found that the energy in the cloud is not uniformly distributed but is greater at the larger scales than at the smaller scales. This was determined by examining the slope of the power spectrum, and by comparing the variability at two scales from a wavelet analysis.

N doped ZnO and ZnO nanorods based p-n homojunction fabricated by ion implantation

NASA Astrophysics Data System (ADS)

Chakraborty, Mohua; Thangavel, R.; Asokan, K.

2018-05-01

Nitrogen (N) doped and undoped Zinc Oxide (ZnO) nanorod p-n homojunctions were fabricated by ion implantation method. The structural and optical characterizations showed that the N atoms doped into the ZnO crystal lattice. The UV-Vis absorption spectra revealed shift in optical absorption edge towards higher wavelength with ion implantation on ZnO, which attributed N acceptor levels above the valence band. The current-voltage (I-V) measurements exhibit a typical semiconductor rectification characteristic indicating the electrical conductivity of the N-doped ZnO nanorod have p-type conductivity. Moreover, a high photocurrent response has been observed with these p-n homojunctions.

EPR, optical absorption and luminescence studies of Cr3+-doped antimony phosphate glasses

NASA Astrophysics Data System (ADS)

De Vicente, F. S.; Santos, F. A.; Simões, B. S.; Dias, S. T.; Siu Li, M.

2014-12-01

Antimony phosphate glasses (SbPO) doped with 3 and 6 mol% of Cr3+ were studied by Electron Paramagnetic Resonance (EPR), UV-VIS optical absorption and luminescence spectroscopy. The EPR spectra of Cr3+-doped glasses showed two principal resonance signals with effective g values at g = 5.11 and g = 1.97. UV-VIS optical absorption spectra of SbPO:Cr3+ presented four characteristics bands at 457, 641, 675, and 705 nm related to the transitions from 4A2(F) to 4T1(F), 4T2(F), 2T1(G), and 2E(G), respectively, of Cr3+ ions in octahedral symmetry. Optical absorption spectra of SbPO:Cr3+ allowed evaluating the crystalline field Dq, Racah parameters (B and C) and Dq/B. The calculated value of Dq/B = 2.48 indicates that Cr3+ ions in SbPO glasses are in strong ligand field sites. The optical band gap for SbPO and SbPO:Cr3+ were evaluated from the UV optical absorption edges. Luminescence measurements of pure and Cr3+-doped glasses excited with 350 nm revealed weak emission bands from 400 to 600 nm due to the 3P1 → 1S0 electronic transition from Sb3+ ions. Cr3+-doped glasses excited with 415 nm presented Cr3+ characteristic luminescence spectra composed by two broad bands, one band centered at 645 nm (2E → 4A2) and another intense band from 700 to 850 nm (4T2 → 4A2).

The influence of different alkaline earth oxides on the structural and optical properties of undoped, Ce-doped, Sm-doped, and Sm/Ce co-doped lithium alumino-phosphate glasses

NASA Astrophysics Data System (ADS)

Othman, H. A.; Arzumanyan, G. M.; Möncke, D.

2016-12-01

Undoped, singly Sm doped, Ce doped, and Sm/Ce co-doped lithium alumino-phosphate glasses with different alkaline earth modifiers were prepared by melt quenching. The structure of the prepared glasses was investigated by FT-IR and Raman, as well as by optical spectroscopy. The effect of the optical basicity of the host glass matrix on the added active dopants was studied, as was the effect doping had on the phosphate structural units. The optical edge shifts toward higher wavelengths with an increase in the optical basicity due to the increased polarizability of the glass matrix, but also with increasing CeO2 concentration as a result of Ce3+/Ce4+ inter valence charge transfer (IV-CT) absorption. The optical band gap for direct and indirect allowed transitions was calculated for the undoped glasses. The glass sample containing Mg2+ modifier ions is found to have the highest value (4.16 eV) for the optical band gap while Ba2+ has the lowest value (3.61 eV). The change in the optical band gap arises from the structural changes and the overall polarizability (optical basicity). Refractive index, molar refractivity Rm and molar polarizability αm values increase with increasing optical basicity of the glasses. The characteristic absorption peaks of Sm3+ were also investigated. For Sm/Ce co-doped glasses, especially at high concentration of CeO2, the absorption of Ce3+ hinders the high energy absorption of Sm3+ and this effect becomes more obvious with increasing optical basicity.

Microwave-assisted synthesis of water-soluble, fluorescent gold nanoclusters capped with small organic molecules and a revealing fluorescence and X-ray absorption study

NASA Astrophysics Data System (ADS)

Helmbrecht, C.; Lützenkirchen-Hecht, D.; Frank, W.

2015-03-01

Colourless solutions of blue light-emitting, water-soluble gold nanoclusters (AuNC) were synthesized from gold colloids under microwave irradiation using small organic molecules as ligands. Stabilized by 1,3,5-triaza-7-phosphaadamantane (TPA) or l-glutamine (GLU), fluorescence quantum yields up to 5% were obtained. AuNC are considered to be very promising for biological labelling, optoelectronic devices and light-emitting materials but the structure-property relationships have still not been fully clarified. To expand the knowledge about the AuNC apart from their fluorescent properties they were studied by X-ray absorption spectroscopy elucidating the oxidation state of the nanoclusters' gold atoms. Based on curve fitting of the XANES spectra in comparison to several gold references, optically transparent fluorescent AuNC are predicted to be ligand-stabilized Au5+ species. Additionally, their near edge structure compared with analogous results of polynuclear clusters known from the literature discloses an increasing intensity of the feature close to the absorption edge with decreasing cluster size. As a result, a linear relationship between the cluster size and the X-ray absorption coefficient can be established for the first time.Colourless solutions of blue light-emitting, water-soluble gold nanoclusters (AuNC) were synthesized from gold colloids under microwave irradiation using small organic molecules as ligands. Stabilized by 1,3,5-triaza-7-phosphaadamantane (TPA) or l-glutamine (GLU), fluorescence quantum yields up to 5% were obtained. AuNC are considered to be very promising for biological labelling, optoelectronic devices and light-emitting materials but the structure-property relationships have still not been fully clarified. To expand the knowledge about the AuNC apart from their fluorescent properties they were studied by X-ray absorption spectroscopy elucidating the oxidation state of the nanoclusters' gold atoms. Based on curve fitting of the XANES spectra in comparison to several gold references, optically transparent fluorescent AuNC are predicted to be ligand-stabilized Au5+ species. Additionally, their near edge structure compared with analogous results of polynuclear clusters known from the literature discloses an increasing intensity of the feature close to the absorption edge with decreasing cluster size. As a result, a linear relationship between the cluster size and the X-ray absorption coefficient can be established for the first time. Electronic supplementary information (ESI) available: The deconvoluted reference spectra are given in ESI Fig. 1-9. See DOI: 10.1039/c4nr07051h

Effect of ZnO on the Physical Properties and Optical Band Gap of Soda Lime Silicate Glass

PubMed Central

Zaid, Mohd Hafiz Mohd; Matori, Khamirul Amin; Aziz, Sidek Hj. Abdul; Zakaria, Azmi; Ghazali, Mohd Sabri Mohd

2012-01-01

This manuscript reports on the physical properties and optical band gap of five samples of soda lime silicate (SLS) glass combined with zinc oxide (ZnO) that were prepared by a melting and quenching process. To understand the role of ZnO in this glass structure, the density, molar volume and optical band gaps were investigated. The density and absorption spectra in the Ultra-Violet-Visible (UV-Visible) region were recorded at room temperature. The results show that the densities of the glass samples increased as the ZnO weight percentage increased. The molar volume of the glasses shows the same trend as the density: the molar volume increased as the ZnO content increased. The optical band gaps were calculated from the absorption edge, and it was found that the optical band gap decreased from 3.20 to 2.32 eV as the ZnO concentration increased. PMID:22837711

Enhanced Graphene Photodetector with Fractal Metasurface.

PubMed

Fang, Jieran; Wang, Di; DeVault, Clayton T; Chung, Ting-Fung; Chen, Yong P; Boltasseva, Alexandra; Shalaev, Vladimir M; Kildishev, Alexander V

2017-01-11

Graphene has been demonstrated to be a promising photodetection material because of its ultrabroadband optical absorption, compatibility with CMOS technology, and dynamic tunability in optical and electrical properties. However, being a single atomic layer thick, graphene has intrinsically small optical absorption, which hinders its incorporation with modern photodetecting systems. In this work, we propose a gold snowflake-like fractal metasurface design to realize broadband and polarization-insensitive plasmonic enhancement in graphene photodetector. We experimentally obtain an enhanced photovoltage from the fractal metasurface that is an order of magnitude greater than that generated at a plain gold-graphene edge and such an enhancement in the photovoltage sustains over the entire visible spectrum. We also observed a relatively constant photoresponse with respect to polarization angles of incident light, as a result of the combination of two orthogonally oriented concentric hexagonal fractal geometries in one metasurface.

Impact of magnetite nanoparticle incorporation on optical and electrical properties of nanocomposite LbL assemblies.

PubMed

Yashchenok, Alexey M; Gorin, Dmitry A; Badylevich, Mikhail; Serdobintsev, Alexey A; Bedard, Matthieu; Fedorenko, Yanina G; Khomutov, Gennady B; Grigoriev, Dmitri O; Möhwald, Helmuth

2010-09-21

Optical and electrical properties of polyelectrolyte/iron oxide nanocomposite planar films on silicon substrates were investigated for different amount of iron oxide nanoparticles incorporated in the films. The nanocomposite assemblies prepared by the layer-by-layer assembly technique were characterized by ellipsometry, atomic force microscopy, and secondary ion mass-spectrometry. Absorption spectra of the films reveal a shift of the optical absorption edge to higher energy when the number of deposited layers decreases. Capacitance-voltage and current-voltage measurements were applied to study the electrical properties of metal-oxide-semiconductor structures prepared by thermal evaporation of gold electrodes on nanocomposite films. The capacitance-voltage measurements show that the dielectric constant of the film increases with the number of deposited layers and the fixed charge and the trapped charge densities have a negative sign.

Investigation of optical properties of nickel oxide nanostructures using photoluminescence and diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Siddique, M. Naseem; Ahmed, Ateeq; Ali, T.; Tripathi, P.

2018-05-01

Nickel oxide (NiO) nanoparticles with a crystal size of around 16.26 nm have been synthesized via sol-gel method. The synthesized precursor was calcined at 600 °C for 4 hours to obtain the nickel oxide nanoparticles. The XRD analysis result indicated that the calcined sample has a cubic structure without any impurity phases. The FTIR analysis result confirmed the formation of NiO. The NiO nanoparticle exhibited absorption band edge at 277.27 nm and the optical band gap have been estimated approximately 4.47 eV using diffuse reflectance spectroscopy and photoluminescence emission spectrum of our as-synthesized sample showed strong peak at 3.65 eV attributed to the band edge transition.

Properties and Bibliography of GaSe

DTIC Science & Technology

1994-02-01

Musaev, A. E. Bakhyshev, N. M. Gasanly and L. G. Musaeva . (1975). "Anisotropy of the optical constants of GaS and GaSe near the absorption edge." Sov...Phys. Semiconductors. 9 94-95 Russian ref.: Fiz. Tekh. Poluprovodn. 9 142-145 (January 1975). Akhundov, G. A., L. G. Musaeva and M. D. Khomutova

Structural, optical, and magnetic studies of manganese-doped zinc oxide hierarchical microspheres by self-assembly of nanoparticles.

PubMed

Hao, Yao-Ming; Lou, Shi-Yun; Zhou, Shao-Min; Yuan, Rui-Jian; Zhu, Gong-Yu; Li, Ning

2012-02-02

In this study, a series of manganese [Mn]-doped zinc oxide [ZnO] hierarchical microspheres [HMSs] are prepared by hydrothermal method only using zinc acetate and manganese acetate as precursors and ethylene glycol as solvent. X-ray diffraction indicates that all of the as-obtained samples including the highest Mn (7 mol%) in the crystal lattice of ZnO have a pure phase (hexagonal wurtzite structure). A broad Raman spectrum from as-synthesized doping samples ranges from 500 to 600 cm-1, revealing the successful doping of paramagnetic Mn2+ ions in the host ZnO. Optical absorption analysis of the samples exhibits a blueshift in the absorption band edge with increasing dopant concentration, and corresponding photoluminescence spectra show that Mn doping suppresses both near-band edge UV emission and defect-related blue emission. In particular, magnetic measurements confirm robust room-temperature ferromagnetic behavior with a high Curie temperature exceeding 400 K, signifying that the as-formed Mn-doped ZnO HMSs will have immense potential in spintronic devices and spin-based electronic technologies.

First-principles study on codoping effect to enhance photocatalytic activity of anatase TiO2

NASA Astrophysics Data System (ADS)

Bai, Yujie; Zhang, Qinfang; Zheng, Fubao; Yang, Yun; Meng, Qiangqiang; Zhu, Lei; Wang, Baolin

2017-03-01

Codopant is an effective approach to modify the bandgap and band edge positions of transition metal oxide. Here, the electronic structures as well as the optical properties of pristine, mono-doped (N/P/Sb) and codoped (Sb, N/P) anatase TiO2 have been systematically investigated based on density functional theory calculations. It is found that mono-doped TiO2 exhibits either unoccupied or partially occupied intermediate state within the energy gap, which promotes the recombination of electron-hole pairs. However, the presence of (Sb, N/P) codopant not only effectively reduces the width of bandgap by introducing delocalized occupied intermediate states, but also adjusts the band edge alignment to enhance the hydrogen evolution activity of TiO2. Moreover, the optical absorption spectrum for (Sb, N/P) codoped TiO2, which is favored under oxygen-rich condition, demonstrates the improvement of its visible light absorption. These findings will promote the potential application of (Sb, N/P) codoped TiO2 photocatalysis for water splitting under visible light irradiation.

Interstellar silicate dust in the z = 0.685 absorber toward TXS 0218+357

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aller, Monique C.; Kulkarni, Varsha P.; Liger, Nicholas

2014-04-10

We report the detection of interstellar silicate dust in the z {sub abs} = 0.685 absorber along the sightline toward the gravitationally lensed blazar TXS 0218+357. Using Spitzer Space Telescope Infrared Spectrograph data, we detect the 10 μm silicate absorption feature with a detection significance of 10.7σ. We fit laboratory-derived silicate dust profile templates obtained from the literature to the observed 10 μm absorption feature and find that the best single-mineral fit is obtained using an amorphous olivine template with a measured peak optical depth of τ{sub 10} = 0.49 ± 0.02, which rises to τ{sub 10} ∼ 0.67 ±more » 0.04 if the covering factor is taken into account. We also detected the 18 μm silicate absorption feature in our data with a >3σ significance. Due to the proximity of the 18 μm absorption feature to the edge of our covered spectral range, and associated uncertainty about the shape of the quasar continuum normalization near 18 μm, we do not independently fit this feature. We find, however, that the shape and depth of the 18 μm silicate absorption are well matched to the amorphous olivine template prediction, given the optical depth inferred for the 10 μm feature. The measured 10 μm peak optical depth in this absorber is significantly higher than those found in previously studied quasar absorption systems. However, the reddening, 21 cm absorption, and velocity spread of Mg II are not outliers relative to other studied absorption systems. This high optical depth may be evidence for variations in dust grain properties in the interstellar medium between this and the previously studied high redshift galaxies.« less

Mammographic x-ray unit kilovoltage test tool based on k-edge absorption effect.

PubMed

Napolitano, Mary E; Trueblood, Jon H; Hertel, Nolan E; David, George

2002-09-01

A simple tool to determine the peak kilovoltage (kVp) of a mammographic x-ray unit has been designed. Tool design is based on comparing the effect of k-edge discontinuity of the attenuation coefficient for a series of element filters. Compatibility with the mammography accreditation phantom (MAP) to obtain a single quality control film is a second design objective. When the attenuation of a series of sequential elements is studied simultaneously, differences in the absorption characteristics due to the k-edge discontinuities are more evident. Specifically, when the incident photon energy is higher than the k-edge energy of a number of the elements and lower than the remainder, an inflection may be seen in the resulting attenuation data. The maximum energy of the incident photon spectra may be determined based on this inflection point for a series of element filters. Monte Carlo photon transport analysis was used to estimate the photon transmission probabilities for each of the sequential k-edge filter elements. The photon transmission corresponds directly to optical density recorded on mammographic x-ray film. To observe the inflection, the element filters chosen must have k-edge energies that span a range greater than the expected range of the end point energies to be determined. For the design, incident x-ray spectra ranging from 25 to 40 kVp were assumed to be from a molybdenum target. Over this range, the k-edge energy changes by approximately 1.5 keV between sequential elements. For this design 21 elements spanning an energy range from 20 to 50 keV were chosen. Optimum filter element thicknesses were calculated to maximize attenuation differences at the k-edge while maintaining optical densities between 0.10 and 3.00. Calculated relative transmission data show that the kVp could be determined to within +/-1 kV. To obtain experimental data, a phantom was constructed containing 21 different elements placed in an acrylic holder. MAP images were used to determine appropriate exposure techniques for a series of end point energies from 25 to 35 kVp. The average difference between the kVp determination and the calibrated dial setting was 0.8 and 1.0 kV for a Senographe 600 T and a Senographe DMR, respectively. Since the k-edge absorption energies of the filter materials are well known, independent calibration or a series of calibration curves is not required.

Band Gap Tuning of CH₃NH₃Pb(Br(1-x)Clx)₃ Hybrid Perovskite for Blue Electroluminescence.

PubMed

Kumawat, Naresh K; Dey, Amrita; Kumar, Aravindh; Gopinathan, Sreelekha P; Narasimhan, K L; Kabra, Dinesh

2015-06-24

We report on the structural, morphological and optical properties of AB(Br(1-x)Cl(x))3 (where, A = CH3NH3(+), B = Pb(2+) and x = 0 to 1) perovskite semiconductor and their successful demonstration in green and blue emissive perovskite light emitting diodes at room temperature. The bandgap of perovskite thin film is tuned from 2.42 to 3.16 eV. The onset of optical absorption is dominated by excitonic effects. The coulomb field of the exciton influences the absorption at the band edge. Hence, it is necessary to explicitly account for the enhancement of the absorption through the Sommerfield factor. This enables us to correctly extract the exciton binding energy and the electronic bandgap. We also show that the lattice constant varies linearly with the fractional chlorine content satisfying Vegards law.

Optically induced lattice deformations, electronic structure changes, and enhanced superconductivity in YBa 2Cu 3O 6.48

DOE PAGES

Mankowsky, R.; Fechner, M.; Forst, M.; ...

2017-02-28

Resonant optical excitation of apical oxygen vibrational modes in the normal state of underdoped YBa 2Cu 3O 6+x induces a transient state with optical properties similar to those of the equilibrium superconducting state. Amongst these, a divergent imaginary conductivity and a plasma edge are transiently observed in the photo-stimulated state. Femtosecond hard x-ray diffraction experiments have been used in the past to identify the transient crystal structure in this non-equilibrium state. Here, we start from these crystallographic features and theoretically predict the corresponding electronic rearrangements that accompany these structural deformations. Using density functional theory, we predict enhanced hole-doping of themore » CuO 2 planes. The empty chain Cu dy2-z2 orbital is calculated to strongly reduce in energy, which would increase c-axis transport and potentially enhance the interlayer Josephson coupling as observed in the THz-frequency response. From these results, we calculate changes in the soft x-ray absorption spectra at the Cu L-edge. As a result, femtosecond x-ray pulses from a free electron laser are used to probe changes in absorption at two photon energies along this spectrum and provide data consistent with these predictions.« less

Towards zero-threshold optical gain using charged semiconductor quantum dots

DOE PAGES

Wu, Kaifeng; Park, Young -Shin; Lim, Jaehoon; ...

2017-10-16

Colloidal semiconductor quantum dots are attractive materials for the realization of solution-processable lasers. However, their applications as optical-gain media are complicated by a non-unity degeneracy of band-edge states, because of which multiexcitons are required to achieve the lasing regime. This increases the lasing thresholds and leads to very short optical gain lifetimes limited by nonradiative Auger recombination. Here, we show that these problems can be at least partially resolved by employing not neutral but negatively charged quantum dots. By applying photodoping to specially engineered quantum dots with impeded Auger decay, we demonstrate a considerable reduction of the optical gain thresholdmore » due to suppression of ground-state absorption by pre-existing carriers. Moreover, by injecting approximately one electron per dot on average, we achieve a more than twofold reduction in the amplified spontaneous emission threshold, bringing it to the sub-single-exciton level. Furthermore, these measurements indicate the feasibility of ‘zero-threshold’ gain achievable by completely blocking the band-edge state with two electrons.« less

Towards zero-threshold optical gain using charged semiconductor quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Kaifeng; Park, Young -Shin; Lim, Jaehoon

Colloidal semiconductor quantum dots are attractive materials for the realization of solution-processable lasers. However, their applications as optical-gain media are complicated by a non-unity degeneracy of band-edge states, because of which multiexcitons are required to achieve the lasing regime. This increases the lasing thresholds and leads to very short optical gain lifetimes limited by nonradiative Auger recombination. Here, we show that these problems can be at least partially resolved by employing not neutral but negatively charged quantum dots. By applying photodoping to specially engineered quantum dots with impeded Auger decay, we demonstrate a considerable reduction of the optical gain thresholdmore » due to suppression of ground-state absorption by pre-existing carriers. Moreover, by injecting approximately one electron per dot on average, we achieve a more than twofold reduction in the amplified spontaneous emission threshold, bringing it to the sub-single-exciton level. Furthermore, these measurements indicate the feasibility of ‘zero-threshold’ gain achievable by completely blocking the band-edge state with two electrons.« less

The influence of reaction times on structural, optical and luminescence properties of cadmium telluride nanoparticles prepared by wet-chemical process

NASA Astrophysics Data System (ADS)

Kiprotich, Sharon; Dejene, Francis B.; Ungula, Jatani; Onani, Martin O.

2016-01-01

This paper explains one pot synthesis of type II water soluble L-cysteine capped cadmium telluride (CdTe) core shell quantum dots using cadmium acetate, potassium tellurite and L-cysteine as the starting materials. The reaction was carried out in a single three necked flask without nitrogen under reflux at 100 °C. Results from PL show a sharp absorption excitonic band edge of the CdTe core with respect to the core shell which loses its shoulder during the growth of the shell on the core. The PL spectra indicate a drastic shift in emission window of the core which is simultaneously accompanied by an increase in emission intensity. X-ray diffraction pattern confirms the formation of hexagonal phase for all samples. Some difference in absorption edges were observed due to varying synthesis time of CdTe NPs. The position of the absorption band is observed to shift towards the lower wavelength side for shorter durations of synthesis.

Optical Precursor with Four-Wave Mixing and Storage Based on a Cold-Atom Ensemble

NASA Astrophysics Data System (ADS)

Ding, Dong-Sheng; Jiang, Yun Kun; Zhang, Wei; Zhou, Zhi-Yuan; Shi, Bao-Sen; Guo, Guang-Can

2015-03-01

We observed optical precursors in four-wave mixing based on a cold-atom gas. Optical precursors appear at the edges of pulses of the generated optical field, and propagate through the atomic medium without absorption. Theoretical analysis suggests that these precursors correspond to high-frequency components of the signal pulse, which means the atoms cannot respond quickly to rapid changes in the electromagnetic field. In contrast, the low-frequency signal components are absorbed by the atoms during transmission. We also showed experimentally that the backward precursor can be stored using a Raman transition of the atomic ensemble and retrieved later.

Experimental and theoretical XANES of CdSxSe1-x nanostructures

NASA Astrophysics Data System (ADS)

Yiu, Y. M.; Murphy, M. W.; Liu, L.; Hu, Y.; Sham, T. K.

2014-03-01

The morphology and electronic properties of the CdSxSe1-x nanostructures with varying alloy compositions have been acquired experimentally by X-ray Absorption Near-Edge Structures (XANES) at the Cd, Se and S K-edge and L3,2-edges. The theoretical XANES spectra have been calculated using the density functional approach. It is found that the optical band-gap emission of these CdSxSe1-x nano-ribbons can be tuned to the range between that of pure CdS (2.43 eV) and CdSe (1.74 eV) by changing the S and Se ratio. This gradual shift in (optical and structural) properties from CdS character to CdSe character is also seen in the electronic structures. The densities of states and band structures show that with the addition of Se replacing S in CdS, the band gap shrinks. The K and L3,2 edges of Cd, Se, and S of the XANES structures of both the CdS and CdSe in B4 (wurtzite) and B3 (cubic zinc-blende) structures have been calculated and compared.

Remarkable Second-Order Optical Nonlinearity of Nano-Sized Au Cluster: A TDDFT Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Kechen; Li, Jun; Lin, Chensheng

2004-04-21

The dipole polarizability, static first hyperpolarizability, and UV-vis spectrum of the recently identified nano-sized tetrahedral cluster of Au have been investigated by using time-dependent density functional response theory. We have discovered that the Au cluster possesses remarkably large molecular second-order optical nonlinearity with the first hyperpolarizabilty (xyz) calculated to be 14.3 x 10 electrostatic unit (esu). The analysis of the low-energy absorption band suggests that the charge transfer from the edged gold atoms to the vertex ones plays the key role in nonlinear optical (NLO) response of Au.

FURTHER CONSTRAINTS ON THE OPTICAL TRANSMISSION SPECTRUM OF HAT-P-1b

DOE Office of Scientific and Technical Information (OSTI.GOV)

Montalto, M.; Santos, N. C.; Martins, J. H. C.

We report on novel observations of HAT-P-1 aimed at constraining the optical transmission spectrum of the atmosphere of its transiting hot-Jupiter exoplanet. Ground-based differential spectrophotometry was performed over two transit windows using the DOLORES spectrograph at the Telescopio Nazionale Galileo. Our measurements imply an average planet to star radius ratio equal to R{sub p}/R{sub *} = (0.1159 ± 0.0005). This result is consistent with the value obtained from recent near-infrared measurements of this object, but differs from previously reported optical measurements, being lower by around 4.4 exoplanet scale heights. Analyzing the data over five different spectral bins of ∼600 Åmore » wide, we observed a single peaked spectrum (3.7 σ level) with a blue cutoff corresponding to the blue edge of the broad absorption wing of sodium and an increased absorption in the region in-between 6180 and 7400 Å. We also infer that the width of the broad absorption wings due to alkali metals is likely narrower than the one implied by solar abundance clear atmospheric models. We interpret the result as evidence that HAT-P-1b has a partially clear atmosphere at optical wavelengths with a more modest contribution from an optical absorber than previously reported.« less

Further Constraints on the Optical Transmission Spectrum of HAT-P-1b

NASA Astrophysics Data System (ADS)

Montalto, M.; Iro, N.; Santos, N. C.; Desidera, S.; Martins, J. H. C.; Figueira, P.; Alonso, R.

2015-09-01

We report on novel observations of HAT-P-1 aimed at constraining the optical transmission spectrum of the atmosphere of its transiting hot-Jupiter exoplanet. Ground-based differential spectrophotometry was performed over two transit windows using the DOLORES spectrograph at the Telescopio Nazionale Galileo. Our measurements imply an average planet to star radius ratio equal to Rp/R* = (0.1159 ± 0.0005). This result is consistent with the value obtained from recent near-infrared measurements of this object, but differs from previously reported optical measurements, being lower by around 4.4 exoplanet scale heights. Analyzing the data over five different spectral bins of ∼600 Å wide, we observed a single peaked spectrum (3.7 σ level) with a blue cutoff corresponding to the blue edge of the broad absorption wing of sodium and an increased absorption in the region in-between 6180 and 7400 Å. We also infer that the width of the broad absorption wings due to alkali metals is likely narrower than the one implied by solar abundance clear atmospheric models. We interpret the result as evidence that HAT-P-1b has a partially clear atmosphere at optical wavelengths with a more modest contribution from an optical absorber than previously reported.

Effect of reflection and refraction on NEXAFS spectra measured in TEY mode

PubMed Central

2018-01-01

The evolution of near-edge X-ray absorption fine structure in the vicinity of the K-absorption edge of oxygen for HfO2 over a wide range of incidence angles is analyzed by simultaneous implementation of the total-electron-yield (TEY) method and X-ray reflection spectroscopy. It is established that the effect of refraction on the TEY spectrum is greater than that of reflection and extends into the angular region up to angles 2θc. Within angles that are less than the critical angle, both the reflection and refraction strongly distort the shape of the TEY spectrum. Limitations of the technique for the calculation of optical constants from the reflection spectra using the Kramers–Kronig relation in the limited energy region in the vicinity of thresholds are discussed in detail. PMID:29271772

Modeling of the gain distribution for diode pumping of a solid-state laser rod with nonimaging optics.

PubMed

Koshel, R J; Walmsley, I A

1993-03-20

We investigate the absorption distribution in a cylindrical gain medium that is pumped by a source of distributed laser diodes by means of a pump cavity developed from the edge-ray principle of nonimaging optics. The performance of this pumping arrangement is studied by using a nonsequential, numerical, three-dimensional ray-tracing scheme. A figure of merit is defined for the pump cavities that takes into account the coupling efficiency and uniformity of the absorption distribution. It is found that the nonimaging pump cavity maintains a high coupling efficiency with extended two-dimensional diode arrays and obtains a fairly uniform absorption distribution. The nonimaging cavity is compared with two other designs: a close-coupled side-pumped cavity and an imaging design in the form of a elliptical cavity. The nonimaging cavity has a better figure of merit per diode than these two designs. It also permits the use of an extended, sparse, two-dimensional diode array, which reduces thermal loading of the source and eliminates all cavity optics other than the main reflector.

Optical, electrical, thermal properties of cadmium chloride doped PVA – PVP blend

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baraker, Basavarajeshwari M.; Hammannavar, Preeti B.; Lobo, Blaise, E-mail: blaise.lobo@gmail.com

2015-06-24

Films of polyvinylalcohol (PVA) – polyvinylpyrrolidone (PVP) blend doped with Cadmium Chloride (CdCl{sub 2}) in the doping range 1 wt% to 40 wt% were prepared by solution casting technique. These films were characterized using optical/UV-Vis- NIR spectroscopy, Differential Scanning Calorimetry (DSC) and DC electrical measurements. The UV-Visible spectra were quantitatively analyzed to yield the optical parameters. The UV-Visible Spectra show intermediate absorption bands (before the final absorption edge) due to formation of energy bands in the forbidden gap of PVA-PVP. There is a prominent absorption band at 2.9 eV, from 0.5 wt% up to 1.8 wt% doping level (DL) causedmore » by the dopant (CdCl{sub 2}). The DC electrical studies showed an increase in activation energy from 2.8 eV at 0.5 wt% DL up to 3.5 eV at 4.4 wt% DL, reaching a low of 2.4 eV at 11.2 wt% DL. DSC scans show evidence of formation of chain fragments, at doping levels beyond 8 wt%.« less

Determination of Scattering and Absorption Coefficients for Plasma-Sprayed Yttria-Stabilized Zirconia Thermal Barrier Coatings at Elevated Temperatures

NASA Technical Reports Server (NTRS)

Eldridge, Jeffrey I.; Spuckler, Charles M.; Markham, James R.

2009-01-01

The temperature dependence of the scattering and absorption coefficients for a set of freestanding plasma-sprayed 8 wt% yttria-stabilized zirconia (8YSZ) thermal barrier coatings (TBCs) was determined at temperatures up to 1360 C in a wavelength range from 1.2 micrometers up to the 8YSZ absorption edge. The scattering and absorption coefficients were determined by fitting the directional-hemispherical reflectance and transmittance values calculated by a four-flux Kubelka Munk method to the experimentally measured hemispherical-directional reflectance and transmittance values obtained for five 8YSZ thicknesses. The scattering coefficient exhibited a continuous decrease with increasing wavelength and showed no significant temperature dependence. The scattering is primarily attributed to the relatively temperature-insensitive refractive index mismatch between the 8YSZ and its internal voids. The absorption coefficient was very low (less than 1 per centimeter) at wavelengths between 2 micrometers and the absorption edge and showed a definite temperature dependence that consisted of a shift of the absorption edge to shorter wavelengths and an increase in the weak absorption below the absorption edge with increasing temperature. The shift in the absorption edge with temperature is attributed to strongly temperature-dependent multiphonon absorption. While TBC hemispherical transmittance beyond the absorption edge can be predicted by a simple exponential decrease with thickness, below the absorption edge, typical TBC thicknesses are well below the thickness range where a simple exponential decrease in hemispherical transmittance with TBC thickness is expected. [Correction added after online publication August 11, 2009: "edge to a shorter wavelengths" has been updated as edge to shorter wavelengths."

Doping of Czochralski-grown bulk β-Ga2O3 single crystals with Cr, Ce and Al

NASA Astrophysics Data System (ADS)

Galazka, Zbigniew; Ganschow, Steffen; Fiedler, Andreas; Bertram, Rainer; Klimm, Detlef; Irmscher, Klaus; Schewski, Robert; Pietsch, Mike; Albrecht, Martin; Bickermann, Matthias

2018-03-01

We experimentally evaluated segregation of Cr, Ce and Al in bulk β-Ga2O3 single crystals grown by the Czochralski method, as well as the impact of these dopants on optical properties. The segregation of Cr and Ce and their incorporation into the β-Ga2O3 crystal structure strongly depends on O2 concentration in the growth atmosphere which has a noticeable impact on decomposition of Ga2O3 and Cr2O3, as well as on the charge state of Cr and Ce. Effective segregation coefficients for Cr are in the range of 3.1-1.5 at 7-24 vol% O2, while for Ce they are roughly below 0.01 at 1.5-34 vol% O2. The effective segregation coefficient for Al is 1.1 at 1.5-21 vol% O2. Both dopants Ce and Al have a thermodynamically stabilizing effect on β-Ga2O3 crystal growth by supressing decomposition. While Ce has no impact on the optical transmittance in the ultraviolet and visible regions, in Cr doped crystals we observe three absorption bands due to Cr3+ on octahedral Ga sites, one in the ultraviolet merging with the band edge absorption of β-Ga2O3 and two in the visible spectrum, for which we estimate the absorption cross sections. Al doping also does not induce dopant related absorption bands but clearly shifts the absorption edge as one expects for a solid-solution crystal Ga2(1-x)Al2xO3 still in the monoclinic phase. For the highest doping concentration (Ga1.9Al0.1O3) we estimate an increase of the energy gap by 0.11 eV.

Electronic structure, magnetism, and optical properties of Fe2SiO4 fayalite at ambient and high pressures: A GGA+U study

NASA Astrophysics Data System (ADS)

Jiang, Xuefan; Guo, G. Y.

2004-04-01

The electronic structure, magnetism, and optical properties of Fe2SiO4 fayalite, the iron-rich end member of the olivine-type silicate, one of the most abundant minerals in Earth’s upper mantle, have been studied by density-functional theory within the generalized gradient approximation (GGA) with the on-site Coulomb energy U=4.5 eV taken into account (GGA+U). The stable insulating antiferromagnetic solution with an energy gap ˜1.49 eV and a spin magnetic moment of 3.65μB and an orbital magnetic moment of 0.044μB per iron atom is obtained. It is found that the gap opening in this fayalite results mainly from the strong on-site Coulomb interaction on the iron atoms. In this band structure, the top of valence bands consists mainly of the 3d orbitals of Fe2 atoms, and the bottom of the conduction bands is mainly composed of the 3d orbitals of Fe1 atoms. Therefore, since the electronic transition from the Fe2 3d to Fe1 3d states is weak, significant electronic transitions would appear only about 1 eV above the absorption edge when Fe-O orbitals are involved in the final states. In addition, our band-structure calculations can explain the observed phenomena including redshift near the absorption edge and the decrease of the electrical resistivity of Fe2SiO4 upon compression. The calculated Fe p partial density of states agree well with Fe K-edge x-ray absorption spectrum. The calculated lattice constants and atomic coordinates for Fe2SiO4 fayalite in orthorhombic structure are in good agreement with experiments.

Compositional dependence of optical band gap and refractive index in lead and bismuth borate glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mallur, Saisudha B.; Czarnecki, Tyler; Adhikari, Ashish

2015-08-15

Highlights: • Refractive indices increase with increasing PbO/Bi{sub 2}O{sub 3} content. • Optical band gap arises due to direct forbidden transition. • Optical band gaps decrease with increasing PbO/Bi{sub 2}O{sub 3} content. • New empirical relation between the optical band gap and the refractive index. - Abstract: We prepared a series of lead and bismuth borate glasses by varying PbO/Bi{sub 2}O{sub 3} content and studied refractive index and optical band gap as a function of glass composition. Refractive indices were measured very accurately using a Brewster’s angle set up while the optical band gaps were determined by analyzing the opticalmore » absorption edge using the Mott–Davis model. Using the Lorentz–Lorentz method and the effective medium theory, we calculated the refractive indices and then compared them with the measured values. Bismuth borate glasses show better agreement between the calculated values of the refractive index and experimental values. We used a differential method based on Mott–Davis model to obtain the type of transition and optical band gap (E{sub opt}) which in turn was compared with the value of E{sub opt} obtained using the extinction coefficient. Our analysis shows that in both lead and bismuth borate glasses, the optical band gap arises due to direct forbidden transition. With increasing PbO/Bi{sub 2}O{sub 3} content, the absorption edge shifts toward longer wavelengths and the optical band gap decreases. This behavior can be explained in terms of changes to the Pb−O/Bi−O chemical bonds with glass composition. We obtained a new empirical relation between the optical band gap and the refractive index which can be used to accurately determine the electronic oxide polarizability in lead and bismuth oxide glasses.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Amekura, Hiro, E-mail: amekura.hiroshi@nims.go.jp; Akhmadaliev, Shavkat; Zhou, Shengqiang

When ion irradiation introduces point-defects in semiconductors/insulators, discrete energy levels can be introduced in the bandgap, and then optical transitions whose energies are lower than the bandgap become possible. The electronic transitions between the discrete level and the continuous host band are observed as a continuous tail starting from the fundamental edge. This is the well-known mechanism of the absorption tail close to the band-edge observed in many semiconductors/insulators. In this paper, we propose another mechanism for the absorption tail, which is probably active in Nd-doped yttrium aluminum garnet (Nd:YAG) after ion irradiation and annealing. A Nd:YAG bulk crystal wasmore » irradiated with 15 MeV Au{sup 5+} ions to a fluence of 8 × 10{sup 14} ions/cm{sup 2}. The irradiation generates an amorphous layer of ∼3 μm thick with refractive index reduction of Δn = −0.03. Thermal annealing at 1000 °C induces recrystallization to randomly aligned small crystalline grains. Simultaneously, an extraordinarily long absorption tail appeared in the optical spectrum covering from 0.24 to ∼2 μm without fringes. The origin of the tail is discussed based on two models: (i) conventional electronic transitions between defect levels and YAG host band and (ii) enhanced light scattering by randomly aligned small grains.« less

Optical and structural properties of carbon dots/TiO2 nanostructures prepared via DC arc discharge in liquid

NASA Astrophysics Data System (ADS)

Biazar, Nooshin; Poursalehi, Reza; Delavari, Hamid

2018-01-01

Synthesis and development of visible active catalysts is an important issue in photocatalytic applications of nanomaterials. TiO2 nanostructures coupled with carbon dots demonstrate a considerable photocatalytic activity in visible wavelengths. Extending optical absorption of a wide band gap semiconductor such as TiO2 with carbon dots is the origin of the visible activity of carbon dots modified semiconductor nanostructures. In addition, carbon dots exhibit high photostability, appropriate electron transport and chemical stability without considerable toxicity or environmental footprints. In this study, optical and structural properties of carbon dots/TiO2 nanostructures prepared via (direct current) DC arc discharge in liquid were investigated. Crystal structure, morphology and optical properties of the samples were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), and UV-visible spectroscopy respectively. SEM images show formation of spherical nanoparticles with an average size of 27 nm. In comparison with pristine TiO2, optical transmission spectrum of carbon dots/TiO2 nanostructures demonstrates an absorption edge at longer wavelengths as well a high optical absorption in visible wavelengths which is significant for visible activity of nanostructures as a photocatalyst. Finally, these results can provide a flexible and versatile pathway for synthesis of carbon dots/oxide semiconductor nanostructures with an appropriate activity under visible light.

Morphological and Optical Characteristics of Chitosan(1-x):Cuox (4 ≤ x ≤ 12) Based Polymer Nano-Composites: Optical Dielectric Loss as an Alternative Method for Tauc's Model.

PubMed

Aziz, Shujahadeen B

2017-12-13

In this work, copper (Cu) nanoparticles with observable surface plasmonic resonance (SPR) peaks were synthesized by an in-situ method. Chitosan host polymer was used as a reduction medium and a capping agent for the Cu nanoparticles. The surface morphology of the samples was investigated through the use of scanning electron micrograph (SEM) technique. Copper nanoparticles appeared as chains and white specks in the SEM images. The strong peaks due to the Cu element observed in the spectrum of energy dispersive analysis of X-rays. For the nanocomposite samples, obvious peaks due to the SPR phenomena were obtained in the Ultraviolet-visible (UV-vis) spectra. The effect of Cu nanoparticles on the host band gap was understood from absorption edges shifting of absorption edges to lower photon energy. The optical dielectric loss parameter obtained from the measurable quantities was used as an alternative method to study the band structure of the samples. Quantum mechanical models drawbacks, in the study of band gap, were explained based on the optical dielectric loss. A clear dispersion region was able to be observed in refractive indices spectra of the composite samples. A linear relationship with a regression value of 0.99 was achieved between the refractive index and volume fractions of CuI content. Cu nanoparticles with various sizes and homogenous dispersions were also determined from transmission electron microscope (TEM) images.

Morphological and Optical Characteristics of Chitosan(1−x):Cuox (4 ≤ x ≤ 12) Based Polymer Nano-Composites: Optical Dielectric Loss as an Alternative Method for Tauc’s Model

PubMed Central

2017-01-01

In this work, copper (Cu) nanoparticles with observable surface plasmonic resonance (SPR) peaks were synthesized by an in-situ method. Chitosan host polymer was used as a reduction medium and a capping agent for the Cu nanoparticles. The surface morphology of the samples was investigated through the use of scanning electron micrograph (SEM) technique. Copper nanoparticles appeared as chains and white specks in the SEM images. The strong peaks due to the Cu element observed in the spectrum of energy dispersive analysis of X-rays. For the nanocomposite samples, obvious peaks due to the SPR phenomena were obtained in the Ultraviolet-visible (UV-vis) spectra. The effect of Cu nanoparticles on the host band gap was understood from absorption edges shifting of absorption edges to lower photon energy. The optical dielectric loss parameter obtained from the measurable quantities was used as an alternative method to study the band structure of the samples. Quantum mechanical models drawbacks, in the study of band gap, were explained based on the optical dielectric loss. A clear dispersion region was able to be observed in refractive indices spectra of the composite samples. A linear relationship with a regression value of 0.99 was achieved between the refractive index and volume fractions of CuI content. Cu nanoparticles with various sizes and homogenous dispersions were also determined from transmission electron microscope (TEM) images. PMID:29236074

Optical properties and electronic transitions of DNA oligonucleotides as a function of composition and stacking sequence.

PubMed

Schimelman, Jacob B; Dryden, Daniel M; Poudel, Lokendra; Krawiec, Katherine E; Ma, Yingfang; Podgornik, Rudolf; Parsegian, V Adrian; Denoyer, Linda K; Ching, Wai-Yim; Steinmetz, Nicole F; French, Roger H

2015-02-14

The role of base pair composition and stacking sequence in the optical properties and electronic transitions of DNA is of fundamental interest. We present and compare the optical properties of DNA oligonucleotides (AT)10, (AT)5(GC)5, and (AT-GC)5 using both ab initio methods and UV-vis molar absorbance measurements. Our data indicate a strong dependence of both the position and intensity of UV absorbance features on oligonucleotide composition and stacking sequence. The partial densities of states for each oligonucleotide indicate that the valence band edge arises from a feature associated with the PO4(3-) complex anion, and the conduction band edge arises from anti-bonding states in DNA base pairs. The results show a strong correspondence between the ab initio and experimentally determined optical properties. These results highlight the benefit of full spectral analysis of DNA, as opposed to reductive methods that consider only the 260 nm absorbance (A260) or simple purity ratios, such as A260/A230 or A260/A280, and suggest that the slope of the absorption edge onset may provide a useful metric for the degree of base pair stacking in DNA. These insights may prove useful for applications in biology, bioelectronics, and mesoscale self-assembly.

Broadband Light Absorption and Efficient Charge Separation Using a Light Scattering Layer with Mixed Cavities for High-Performance Perovskite Photovoltaic Cells with Stability.

PubMed

Moon, Byeong Cheul; Park, Jung Hyo; Lee, Dong Ki; Tsvetkov, Nikolai; Ock, Ilwoo; Choi, Kyung Min; Kang, Jeung Ku

2017-08-01

CH 3 NH 3 PbI 3 is one of the promising light sensitizers for perovskite photovoltaic cells, but a thick layer is required to enhance light absorption in the long-wavelength regime ranging from PbI 2 absorption edge (500 nm) to its optical band-gap edge (780 nm) in visible light. Meanwhile, the thick perovskite layer suppresses visible-light absorption in the short wavelengths below 500 nm and charge extraction capability of electron-hole pairs produced upon light absorption. Herein, we find that a new light scattering layer with the mixed cavities of sizes in 100 and 200 nm between transparent fluorine-doped tin oxide and mesoporous titanium dioxide electron transport layer enables full absorption of short-wavelength photons (λ < 500 nm) to the perovskite along with enhanced absorption of long-wavelength photons (500 nm < λ < 780 nm). Moreover, the light-driven electric field is proven to allow efficient charge extraction upon light absorption, thereby leading to the increased photocurrent density as well as the fill factor prompted by the slow recombination rate. Additionally, the photocurrent density of the cell with a light scattering layer of mixed cavities is stabilized due to suppressed charge accumulation. Consequently, this work provides a new route to realize broadband light harvesting of visible light for high-performance perovskite photovoltaic cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optical parameters of Ge15Sb5Se80 and Ge15Sb5Te80 from ellipsometric measurements

NASA Astrophysics Data System (ADS)

Abdel-Wahab, F.; Ashraf, I. M.; Alomairy, S. E.

2018-02-01

The optical properties of Ge15Sb5Se80 (GSS) and Ge15Sb5Te80 (GST) films prepared by thermal evaporation method were investigated in the photon energy range from 0.9 eV to 5 eV by using a variable-angle spectroscopic ellipsometer. Combinations of multiple Gaussian, and Tauc-Lorentz or Cody-Lorentz dispersion functions are used to fit the experimental data. The models' parameters (Lorentz oscillator amplitude, resonance energy, oscillator width, optical band gap, and Urbach energy) of both GSS and GST films were calculated. Refractive indices and extinction coefficients of the films were determined. Analysis of the absorption coefficient shows that the optical absorption edge of GSS and GST films to be 1.6 eV and 0.89 eV, respectively. Manca's relation based on mean bond energy and the bond statistics of chemically ordered model (COM) and random covalent network model (CRNM) is applied for the estimation of the optical band gap (Eg) of the investigated films. A good agreement between experimental and calculated Eg is obtained.

Investigation of photoconductivity of individual InAs/GaAs(001) quantum dots by Scanning Near-field Optical Microscopy

NASA Astrophysics Data System (ADS)

Filatov, D. O.; Kazantseva, I. A.; Baidus', N. V.; Gorshkov, A. P.; Mishkin, V. P.

2017-10-01

The spatial distribution of the photocurrent in the input window plane of a GaAs-based p-i-n photodiode with embedded self-assembled InAs quantum dots (QDs) has been studied with the photoexcitation through a Scanning Near-field Optical Microscope (SNOM) probe at the emission wavelength greater than the intrinsic absorption edge of the host material (GaAs). The inhomogeneities related to the interband absorption in the individual InAs/GaAs(001) QDs have been observed in the photocurrent SNOM images. Thus, the possibility of imaging the individual InAs/GaAs(001) QDs in the photocurrent SNOM images with the lateral spatial resolution ˜ 100 nm (of the same order of magnitude as the SNOM probe aperture size) has been demonstrated.

Quantum state-resolved probing of strong-field-ionized xenon atoms using femtosecond high-order harmonic transient absorption spectroscopy.

PubMed

Loh, Zhi-Heng; Khalil, Munira; Correa, Raoul E; Santra, Robin; Buth, Christian; Leone, Stephen R

2007-04-06

Femtosecond high-order harmonic transient absorption spectroscopy is used to resolve the complete |j,m quantum state distribution of Xe+ produced by optical strong-field ionization of Xe atoms at 800 nm. Probing at the Xe N4/5 edge yields a population distribution rhoj,|m| of rho3/2,1/2ratiorho1/2,1/2ratiorho3/2,3/2=75+/-6 :12+/-3 :13+/-6%. The result is compared to a tunnel ionization calculation with the inclusion of spin-orbit coupling, revealing nonadiabatic ionization behavior. The sub-50-fs time resolution paves the way for tabletop extreme ultraviolet absorption probing of ultrafast dynamics.

Synthesis, Optical and Structural Properties of Copper Sulfide Nanocrystals from Single Molecule Precursors

PubMed Central

Ajibade, Peter A.; Botha, Nandipha L.

2017-01-01

We report the synthesis and structural studies of copper sulfide nanocrystals from copper (II) dithiocarbamate single molecule precursors. The precursors were thermolysed in hexadecylamine (HDA) to prepare HDA-capped CuS nanocrystals. The optical properties of the nanocrystals studied using UV–visible and photoluminescence spectroscopy showed absorption band edges at 287 nm that are blue shifted, and the photoluminescence spectra show emission curves that are red-shifted with respect to the absorption band edges. These shifts are as a result of the small crystallite sizes of the nanoparticles leading to quantum size effects. The structural studies were carried out using powder X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), and atomic force microscopy. The XRD patterns indicates that the CuS nanocrystals are in hexagonal covellite crystalline phases with estimated particles sizes of 17.3–18.6 nm. The TEM images showed particles with almost spherical or rod shapes, with average crystallite sizes of 3–9.8 nm. SEM images showed morphology with ball-like microspheres on the surfaces, and EDS spectra confirmed the presence of CuS nanoparticles. PMID:28336865

Preparation and optical properties of TeO2-BaO-ZnO-ZnF2 fluoro-tellurite glass for mid-infrared fiber Raman laser applications

NASA Astrophysics Data System (ADS)

Li, Jie; Xiao, Xusheng; Gu, Shaoxuan; Xu, Yantao; Zhou, Zhiguang; Guo, Haitao

2017-04-01

A serial of novel fluoro-tellurite glasses with compositions of 60TeO2-20BaO-(20-x)ZnO-xZnF2 (x = 0, 2, 4, 5 and 6 mol%) were prepared. The compositional dependences of glass structural evaluation, Raman gain coefficient, UV-Vis transmission spectrum, IR transmission spectrum, linear refractive index and third-order nonlinearity were analyzed. The results showed that the addition of 6 mol% ZnF2 can further improve the Raman gain coefficient to as well as 52 × 10-11 cm/W and effectively decrease around 73% and 57% absorption coefficients respectively caused by free Osbnd H groups (@3.3 μm) and hydrogen-bonded Osbnd H groups (@4.5 μm) in glass. Addition of ZnF2 does not change the UV-Vis absorption edge, optical band gap energy and infrared region cut-off edge almost, while the linear refraction index and ultrafast third-nonlinearity show unmonotonic changes. These novel fluoro-tellurite glasses may be suitable candidates for using in mid-infrared Raman fiber laser and/or amplifier.

Morphology-dependent optical absorption and conduction properties of photoelectrochemical photocatalysts for H2 production: A case study

NASA Astrophysics Data System (ADS)

Huda, Muhammad N.; Turner, John A.

2010-06-01

Efficient photoelectrochemical H2 production by solar irradiation depends not only on the photocatalyst's band gap and its band-edge positions but also on the detailed electronic nature of the bands, such as the localization or delocalization of the band edges and their orbital characteristics. These determine the carrier transport properties, reactivity, light absorption strength, etc. and significantly impact the material's efficiency as a photoconverter. The localization or delocalization of the band edges may arise either due to the orbital nature of the bands or the structural morphology of the material. A recent experimental report on a photocatalyst based on s /p orbitals showed very poor performance for H2 production despite the delocalized nature of the s /p bands as compared to the d-bands of transition metal oxides. It is then important to examine whether this poor performance is inherent to these materials or rather arises from some experimental limitations. A theoretical analysis by first-principle methods is well suited to shed light on this question.

Optical absorption in 3D topological insulator Bi2Te3 with applications to THz detectors (Presentation Recording)

NASA Astrophysics Data System (ADS)

Sengupta, Parijat; Bellotti, Enrico

2015-08-01

Topological insulators (TI) are a new class of materials that have an energy gap in bulk but possess gapless states bound to the sample surface or edge that have been theoretically predicted and experimentally observed [1]. The topological state in Bi2Te3 is characterized by a linear dispersion and a Dirac cone at the Γpoint. The optical absorption on the surface of a TI is given by the standard graphene-like απ/2 when a linear dispersion is assumed. Realistically, at k-points away from Γ, higher order cubic terms in k that represent the underlying hexagonal symmetry [2] of the crystal dominate and give rise to warping of bands. The optical absorption of a ferromagnetic coated gapped 3D TI film with warping terms considered is longer απ/2 but significantly modified. We demonstrate, by using wave functions from a continuum-Hamiltonian and Fermi-golden rule, the absorption spectrum on the surface of a TI as a function of the chemical potential, film-thickness and incident photon energy. A linear response theory based calculation is also performed using the Kubo formula to determine the longitudinal optical conductivity whose real part gives absorption as a function of photon frequency. The absorption in materials with Dirac fermions which is significantly higher than in normal THz detectors [3] can be further modulated in a TI by explicitly including the warping term making them highly efficient and tunable photodetectors. [1] M.Hasan and C.Kane, Rev.Mod.Phys. 82, 3045(2010) [2] L.Fu, Phys.Rev.Lett.103, 266801(2009) [3] X.Zhang et al., Phys. Rev B, 82, 245107(2010)

The Electronic and Optical Properties of Au Doped Single-Layer Phosphorene

NASA Astrophysics Data System (ADS)

Zhu, Ziqing; Chen, Changpeng; Liu, Jiayi; Han, Lu

2018-01-01

The electronic properties and optical properties of single and double Au-doped phosphorene have been comparatively investigated using the first-principles plane-wave pseudopotential method based on density functional theory. The decrease from direct band gap 0.78 eV to indirect band gap 0.22 and 0.11 eV are observed in the single and double Au-doped phosphorene, respectively. The red shifts of absorbing edge occur in both doped systems, which consequently enhance the absorbing of infrared light in phosphorene. Band gap engineering can, therefore, be used to directly tune the optical absorption of phosphorene system by substitutional Au doping.

Effect of the degree of disorder on electronic and optical properties in random superlattices

NASA Technical Reports Server (NTRS)

Wang, E. G.; Su, W. P.; Ting, C. S.

1994-01-01

A three-dimensional tight-binding calculation is developed and used to study disorder effects in a realistic random superlattice. With increasing disorder, a tendency of possible indirect-direct band-gap transition is suggested. Direct evidence of mobility edges between localized and extended states in three-dimensional random systems is given. As system disorder increases, the optical absorption intensities increase dramatically from five to forty-five times stronger than the ordered (GaAs)(sub 1)/(AlAs)(sub 1) superlattice. It is believed that the degree of disorder significantly affects electronic and optical properties of GaAs/AlAs random superlattices.

Efficient reverse saturable absorption of sol-gel hybrid plasmonic glasses

NASA Astrophysics Data System (ADS)

Lundén, H.; Lopes, C.; Lindgren, M.; Liotta, A.; Chateau, D.; Lerouge, F.; Chaput, F.; Désert, A.; Parola, S.

2017-07-01

Monolithic silica sol-gel glasses doped with platinum(II) acetylide complexes possessing respectively four or six phenylacetylene units (PE2-CH2OH and PE3-CH2OH) in combination with various concentrations of spherical and bipyramidal gold nanoparticles (AuNPs) known to enhance non-linear optical absorption, were prepared and polished to high optical quality. The non-linear absorption of the glasses was measured and compared to glasses doped solely with AuNPs, a platinum(II) acetylide with shorter delocalized structure, or combinations of both. At 532 nm excitation wavelength the chromophore inhibited the non-linear scattering previously found for glasses only doped with AuNPs. The measured non-linear absorption was attributed to reverse saturable absorption from the chromophore, as previously reported for PE2-CH2OH/AuNP glasses. At 600 nm strong nonlinear absorption was observed for the PE3-CH2OH/AuNPs glasses, also attributed to reverse saturable absorption. But contrary to previous findings for PE2-CH2OH/AuNPs, no distinct enhancement of the non-linear absorption for PE3-CH2OH/AuNPs was observed. A numerical population model for PE3-CH2OH was used to give a qualitative explanation of this difference. A stronger linear absorption in PE3-CH2OH would cause the highly absorbing triplet state to populate quicker during the leading edge of the laser pulse and this would in turn reduce the influence from two-photon absorption enhancement from AuNPs.

Magnetic, electronic and optical properties of different graphene, BN and BC2N nanoribbons

NASA Astrophysics Data System (ADS)

Guerra, T.; Leite, L.; Azevedo, S.; de Lima Bernardo, B.

2017-04-01

Graphene nanoribbons are predicted to be essential components in future nanoelectronics. The size, edge type, form, arrangement of atoms and width of nanoribbons drastically change their properties. However, magnetic, electronic and optical properties of armchair, chevron and sawtooth of graphene, BN and BC2N nanoribbons are not fully understood so far. Here, we make use of first-principles calculations based on the density functional theory (DFT) to investigate the structural, magnetic, electronic and optical properties of nanoribbons of graphene, boron nitride and BC2N with armchair edge, chevron-type and sawtooth forms. The lowest formation energies were found for the armchair and chevron nanoribbons of graphene and boron nitride. We have shown that the imbalance of carbon atoms between different sublattices generates a net magnetic moment. Chevron-type nanoribbons of BC2N and graphene showed a band gap comparable with silicon, and a high light absorption in the visible spectrum when compared to the other configurations.

Reddening and He i{sup ∗} λ 10830 Absorption Lines in Three Narrow-line Seyfert 1 Galaxies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Shaohua; Zhou, Hongyan; Shi, Xiheng

We report the detection of heavy reddening and the He i* λ 10830 absorption lines at the active galactic nucleus (AGN) redshift in three narrow-line Seyfert 1 galaxies: SDSS J091848.61+211717.0, SDSS J111354.66+124439.0, and SDSS J122749.13+321458.9. They exhibit very red optical to near-infrared colors, narrow Balmer/Paschen broad emission lines and He i* λ 10830 absorption lines. The ultraviolet-optical-infrared nucleus continua are reddened by the SMC extinction law of E ( B − V ) ∼ 0.74, 1.17, and 1.24 mag for three objects, which are highly consistent with the values obtained from the broad-line Balmer decrements, but larger than those ofmore » narrow emission lines. The reddening analysis suggests that the extinction dust simultaneously obscures the accretion disk, the broad emission-line region, and the hot dust from the inner edge of the torus. It is possible that the dust obscuring the AGN structures is the dusty torus itself. Furthermore, the Cloudy analysis of the He i* λ 10830 absorption lines proposes the distance of the absorption materials to be the extend scale of the torus, which greatly increases probabilities of the obscure and absorption materials being the dusty torus.« less

Observation of Reverse Saturable Absorption of an X-ray Laser

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cho, B. I.; Cho, M. S.; Kim, M.

A nonlinear absorber in which the excited state absorption is larger than the ground state can undergo a process called reverse saturable absorption. It is a well-known phenomenon in laser physics in the optical regime, but is more difficult to generate in the x-ray regime, where fast nonradiative core electron transitions typically dominate the population kinetics during light matter interactions. Here, we report the first observation of decreasing x-ray transmission in a solid target pumped by intense x-ray free electron laser pulses. The measurement has been made below the K-absorption edge of aluminum, and the x-ray intensity ranges are 10more » 16 –10 17 W=cm 2. It has been confirmed by collisional radiative population kinetic calculations, underscoring the fast spectral modulation of the x-ray pulses and charge states relevant to the absorption and transmission of x-ray photons. The processes shown through detailed simulations are consistent with reverse saturable absorption, which would be the first observation of this phenomena in the x-ray regime. These light matter interactions provide a unique opportunity to investigate optical transport properties in the extreme state of matters, as well as affording the potential to regulate ultrafast x-ray freeelectron laser pulses.« less

Observation of Reverse Saturable Absorption of an X-ray Laser

DOE PAGES

Cho, B. I.; Cho, M. S.; Kim, M.; ...

2017-08-16

A nonlinear absorber in which the excited state absorption is larger than the ground state can undergo a process called reverse saturable absorption. It is a well-known phenomenon in laser physics in the optical regime, but is more difficult to generate in the x-ray regime, where fast nonradiative core electron transitions typically dominate the population kinetics during light matter interactions. Here, we report the first observation of decreasing x-ray transmission in a solid target pumped by intense x-ray free electron laser pulses. The measurement has been made below the K-absorption edge of aluminum, and the x-ray intensity ranges are 10more » 16 –10 17 W=cm 2. It has been confirmed by collisional radiative population kinetic calculations, underscoring the fast spectral modulation of the x-ray pulses and charge states relevant to the absorption and transmission of x-ray photons. The processes shown through detailed simulations are consistent with reverse saturable absorption, which would be the first observation of this phenomena in the x-ray regime. These light matter interactions provide a unique opportunity to investigate optical transport properties in the extreme state of matters, as well as affording the potential to regulate ultrafast x-ray freeelectron laser pulses.« less

ZnO-based transparent conductive thin films via sonicated-assisted sol-gel technique

NASA Astrophysics Data System (ADS)

Malek, M. F.; Mamat, M. H.; Ismail, A. S.; Yusoff, M. M.; Mohamed, R.; Rusop, M.

2018-05-01

We report on the growth of Al-doped ZnO (AZO) thin films onto Corning 7740 glass substrates via sonicated-assisted sol-gel technique. The influence of Al dopant on crystallisation behavior, optical and electrical properties of AZO films has been systematically investigated. All films are polycrystalline with a hexagonal wurtzite structure with a preferential orientation according to the direction <002>. All films exhibit a transmittance above than 80-90 % along the visible range up to 800 nm and a sharp absorption onset below 400 nm corresponding to the fundamental absorption edge of ZnO.

Formation of TiO2 nanorings due to rapid thermal annealing of swift heavy ion irradiated films.

PubMed

Thakurdesai, Madhavi; Sulania, I; Narsale, A M; Kanjilal, D; Bhattacharyya, Varsha

2008-09-01

Amorphous thin films of TiO2 deposited by Pulsed Laser Deposition (PLD) method are irradiated by Swift Heavy Ion (SHI) beam. The irradiated films are subsequently annealed by Rapid Thermal Annealing (RTA) method. Atomic Force Microscopy (AFM) study reveals formation of nano-rings on the surface after RTA processing. Phase change is identified by Glancing Angle X-ray Diffraction (GAXRD) and Raman spectroscopy. Optical characterisation is carried out by UV-VIS absorption spectroscopy. Though no shift of absorption edge is observed after irradiation, RTA processing does show redshift.

Unidirectional edge modes launched by surface fluctuation in magnetic metamaterials

NASA Astrophysics Data System (ADS)

Chen, Huajin; Luo, Youzhu; Liang, Chenghua; Li, Zhenglin; Liu, Shiyang; Lin, Zhifang

2018-03-01

We demonstrate theoretically that the surface fluctuation can be used to launch the unidirectional electromagnetic edge mode for a Gaussian beam incident normal to the magnetic metamaterials (MMs) composed of an array of ferrite rods with the uppermost layer introduced position or size fluctuation in the coupling region. Such an edge mode is solely allowed to propagate in one direction due to the time-reversal symmetry breaking in MMs under the exertion of an external magnetic field, and it is substantially enhanced by the magnetic surface plasmon resonance. The nonreciprocal excitation of the edge states can also be understood by examining the scattering amplitudes of different partial waves, which indicate that the 1st order of the angular momentum channel plays a crucial role in realizing the nonreciprocity. The present research might be significant for the implementation of unidirectional absorption and the reexamination of bound states in the continuum in the context of MMs. In addition, the unique optical property can be exploited to design electromagnetic waveguide devices, such as one-way waveguide and wave bender, which are strongly robust against the obstacles placed in the channel of designed devices, facilitating to realize optical integrated circuits.

Thermal control paints on LDEF: Results of M0003 sub-experiment 18

NASA Technical Reports Server (NTRS)

Jaggers, C. H.; Meshishnek, M. J.; Coggi, J. M.

1993-01-01

Several thermal control paints were flown on the Long Duration Exposure Facility (LDEF), including the white paints Chemglaze A276, S13GLO, and YB-71, and the black paint D-111. The effects of low earth orbit, which includes those induced by UV radiation and atomic oxygen, varied significantly with each paint and its location on LDEF. For example, samples of Chemglaze A276 located on the trailing edge of LDEF darkened significantly due to UV-induced degradation of the paint's binder, while leading edge samples remained white but exhibited severe atomic oxygen erosion of the binder. Although the response of S13GLO to low earth orbit is much more complicated, it also exhibited greater darkening on trailing edge samples as compared to leading edge samples. In contrast, YB-71 and D-111 remained relatively stable and showed minimal degradation. The performance of these paints as determined by changes in their optical and physical properties, including solar absorptance as well as surface chemical changes and changes in surface morphology is examined. It will also provide a correlation of these optical and physical property changes to the physical phenomena that occurred in these materials during the LDEF mission.

Symmetry and optical selection rules in graphene quantum dots

NASA Astrophysics Data System (ADS)

Pohle, Rico; Kavousanaki, Eleftheria G.; Dani, Keshav M.; Shannon, Nic

2018-03-01

Graphene quantum dots (GQD's) have optical properties which are very different from those of an extended graphene sheet. In this paper, we explore how the size, shape, and edge structure of a GQD affect its optical conductivity. Using representation theory, we derive optical selection rules for regular-shaped dots, starting from the symmetry properties of the current operator. We find that, where the x and y components of the current operator transform with the same irreducible representation (irrep) of the point group (for example in triangular or hexagonal GQD's), the optical conductivity is independent of the polarization of the light. On the other hand, where these components transform with different irreps (for example in rectangular GQD's), the optical conductivity depends on the polarization of light. We carry out explicit calculations of the optical conductivity of GQD's described by a simple tight-binding model and, for dots of intermediate size, find an absorption peak in the low-frequency range of the spectrum which allows us to distinguish between dots with zigzag and armchair edges. We also clarify the one-dimensional nature of states at the Van Hove singularity in graphene, providing a possible explanation for very high exciton-binding energies. Finally, we discuss the role of atomic vacancies and shape asymmetry.

Glass Former Effects on Photoluminescence and Optical Properties of Some Heavy Metal Oxide Glasses Doped with Transition Metal Ions

NASA Astrophysics Data System (ADS)

Marzouk, M. A.; Abo-Naf, S. M.; Zayed, H. A.; Hassan, N. S.

2017-03-01

Heavy metal oxide (PbO and Bi2O3) glasses doped with transition metal (TM) ions (TiO2, V2O5, Cr2O3, and MnO2) and having low content of common glass formers (B2O3, SiO2, or P2O5) were prepared by the conventional melt annealing method. Ultraviolet, visible absorption, and photoluminescence properties of these glasses were measured, and the data were employed to investigate the prepared glassy samples. The optical absorption spectra of TiO2 and V2O5 exhibited three bands centered at about 240, 305, and 380 nm, followed by a broad asymmetrical near-visible band centered at 425-432 nm, while Cr2O3 and MnO2 exhibited an extended visible peak at 517-548 nm. Results showed that the luminescence intensity changed with different transition metal oxides. From the absorption edge data, the values of the optical band gap Eopt and Urbach energy (ΔE) were calculated. The calculated values of the optical energy gap were found to be dependent on the glass composition. The changing values of optical band gap and band tail can be related to the structural changes that are taking place in the glass samples. The variations of the luminescence intensity, values of optical band gap, band tail, and refractive index gave an indication of the potential use of the prepared glasses to design novel optical functional materials with higher optical performance.

Absorption and quasiguided mode analysis of organic solar cells with photonic crystal photoactive layers.

PubMed

Tumbleston, John R; Ko, Doo-Hyun; Samulski, Edward T; Lopez, Rene

2009-04-27

We analyze optical absorption enhancements and quasiguided mode properties of organic solar cells with highly ordered nanostructured photoactive layers comprised of the bulk heterojunction blend, poly-3-hexylthiophene/[6,6]-phenyl-C61-butyric acid methyl ester (P3HT:PCBM) and a low index of refraction conducting material (LICM). This photonic crystal geometry is capable of enhancing spectral absorption by approximately 17% in part due to the excitation of quasiguided modes near the band edge of P3HT:PCBM. A nanostructure thickness between 200 nm and 300 nm is determined to be optimal, while the LICM must have an index of refraction approximately 0.3 lower than P3HT:PCBM to produce absorption enhancements. Quasiguided modes that differ in lifetime by an order of magnitude are also identified and yield absorption that is concentrated in the P3HT:PCBM flash layer.

Studies on absorption coefficient near edge of multi elements

NASA Astrophysics Data System (ADS)

Eisa, M. H.; Shen, H.; Yao, H. Y.; Mi, Y.; Zhou, Z. Y.; Hu, T. D.; Xie, Y. N.

2005-12-01

X-ray absorption near edge structure (XANES) was used to study the near edge mass-absorption coefficients of seven elements, such as, Ti, V, Fe, Co, Ni, Cu and Zn. It is well known that, on the near edge absorption of element, when incident X-ray a few eV change can make the absorption coefficient an order magnitude alteration. So that, there are only a few points mass-absorption coefficient at the near edge absorption and that always average value in published table. Our results showed a wide range of data, the total measured data of mass-absorption coefficient of the seven elements was about 505. The investigation confirmed that XANES is useful technique for multi-element absorption coefficient measurement. Details of experimental methods and results are given and discussed. The experimental work has been performed at Beijing Synchrotron Radiation Facility. The measured values were compared with the published data. Good agreement between experimental results and published data is obtained.

Supramolecular networks with electron transfer in two dimensions

DOEpatents

Stupp, Samuel I.; Stoddart, J. Fraser; Shveyd, Alexander K.; Tayi, Alok S.; Sue, Chi-Hau; Narayanan, Ashwin

2016-09-13

Organic charge-transfer (CT) co-crystals in a crossed stack system are disclosed. The co-crystals exhibit bidirectional charge transfer interactions where one donor molecule shares electrons with two different acceptors, one acceptor face-to-face and the other edge-to-face. The assembly and charge transfer interaction results in a pleochroic material whereby the optical absorption continuously changes depending on the polarization angle of incident light.

Spectrometric analysis of different fluorophosphate glasses doped with Sm{sup 3+} ions for reddish-orange laser emission

DOE Office of Scientific and Technical Information (OSTI.GOV)

Babu, S., E-mail: ratnakaramsvu@gmail.com; Balakrishna, A., E-mail: ratnakaramsvu@gmail.com; Ratnakaram, Y. C., E-mail: ratnakaramsvu@gmail.com

2014-04-24

Optical properties of Sm{sup 3+} doped different fluorophosphate glasses have been synthesized and discussed. The J- O intensity parameters Ω{sub λ} (λ= 2, 4, 6) from absorption spectra have been evaluated. No sharp edges are found in the absorption spectra, which confirm amorphous nature of present glass matrices. Various radiative parameters have been obtained from luminescence spectra for excited states to corresponding {sup 4}G{sub 5/2}→{sup 6}H{sub 5/2}, {sup 6}H{sub 7/2}, {sup 6}H{sub 9/2} and {sup 6}H{sub 11/2} transitions. The nature of decay curve analysis was performed for the {sup 4}G{sub 5/2} level. These glasses are expected to give interesting applicationmore » in field of optical devices.« less

Design, Fabrication and Testing of Multilayer Coated X-Ray Optics for the Water Window Imaging X-Ray Microscope

NASA Technical Reports Server (NTRS)

Spencer, Dwight C.

1996-01-01

Hoover et. al. built and tested two imaging Schwarzschild multilayer microscopes. These instruments were constructed as prototypes for the "Water Window Imaging X-Ray Microscope," which is a doubly reflecting, multilayer x-ray microscope configured to operate within the "water window." The "water window" is the narrow region of the x-ray spectrum between the K absorption edges of oxygen (lamda = 23.3 Angstroms) and of carbon (lamda = 43.62 Angstroms), where water is relatively highly transmissive and carbon is highly absorptive. This property of these materials, thus permits the use of high resolution multilayer x-ray microscopes for producing high contrast images of carbon-based structures within the aqueous physiological environments of living cells. We report the design, fabrication and testing of multilayer optics that operate in this regime.

Enhanced optical band-gap of ZnO thin films by sol-gel technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raghu, P., E-mail: dpr3270@gmail.com; Naveen, C. S.; Shailaja, J.

2016-05-06

Transparent ZnO thin films were prepared using different molar concentration (0.1 M, 0.2 M & 0.8 M) of zinc acetate on soda lime glass substrates by the sol-gel spin coating technique. The optical properties revealed that the transmittance found to decrease with increase in molar concentration. Absorption edge showed that the higher concentration film has increasingly red shifted. An increased band gap energy of the thin films was found to be direct allowed transition of ∼3.9 eV exhibiting their relevance for photovoltaic applications. The extinction coefficient analysis revealed maximum transmittance with negligible absorption coefficient in the respective wavelengths. The resultsmore » of ZnO thin film prepared by sol-gel technique reveal its suitability for optoelectronics and as a window layer in solar cell applications.« less

Band-filling of solution-synthesized CdS nanowires.

PubMed

Puthussery, James; Lan, Aidong; Kosel, Thomas H; Kuno, Masaru

2008-02-01

The band edge optical characterization of solution-synthesized CdS nanowires (NWs) is described. Investigated wires are made through a solution-liquid-solid approach that entails the use of low-melting bimetallic catalyst particles to seed NW growth. Resulting diameters are approximately 14 nm, and lengths exceed 1 microm. Ensemble diameter distributions are approximately 13%, with corresponding intrawire diameter variations of approximately 5%. High-resolution transmission electron micrographs show that the wires are highly crystalline and have the wurtzite structure with growth along at least two directions: [0001] and [1010]. Band edge emission is observed with estimated quantum yields between approximately 0.05% and 1%. Complementary photoluminescence excitation spectra show structure consistent with the linear absorption. Carrier cooling dynamics are subsequently examined through ensemble lifetime and transient differential absorption measurements. The former reveals unexpectedly long band edge decays that extend beyond tens of nanoseconds. The latter indicates rapid intraband carrier cooling on time scales of 300-400 fs. Subsequent recovery at the band edge contains significant Auger contributions at high intensities which are usurped by other, possibly surface-related, carrier relaxation pathways at lower intensities. Furthermore, an unusual intensity-dependent transient broadening is seen, connected with these long decays. The effect likely stems from band-filling on the basis of an analysis of observed spectral shifts and line widths.

Picosecond sulfur K-edge X-ray absorption spectroscopy with applications to excited state proton transfer

DOE PAGES

Van Kuiken, Benjamin E.; Ross, Matthew R.; Strader, Matthew L.; ...

2017-05-08

Picosecond X-ray absorption (XA) spectroscopy at the S K-edge (~2.4 keV) is demonstrated and used to monitor excited state dynamics in a small organosulfur molecule (2-Thiopyridone, 2TP) following optical excitation. Multiple studies have reported that the thione (2TP) is converted into the thiol (2-Mercaptopyridine, 2MP) following photoexcitation. However, the timescale and photochemical pathway of this reaction remain uncertain. In this work, time-resolved XA spectroscopy at the S K-edge is used to monitor the formation and decay of two transient species following 400nm excitation of 2TP dissolved in acetonitrile. The first transient species forms within the instrument response time (70 ps)more » and decays within 6 ns. The second transient species forms on a timescale of ~400 ps and decays on a 15 ns timescale. Time-dependent density functional theory is used to identify the first and second transient species as the lowestlying triplet states of 2TP and 2MP, respectively. This study demonstrates transient S K-edge XA spectroscopy as a sensitive and viable probe of time-evolving charge dynamics near sulfur sites in small molecules with future applications towards studying complex biological and material systems.« less

Light trapping for solar fuel generation with Mie resonances.

PubMed

Kim, Soo Jin; Thomann, Isabell; Park, Junghyun; Kang, Ju-Hyung; Vasudev, Alok P; Brongersma, Mark L

2014-03-12

The implementation of solar fuel generation as a clean, terawatt-scale energy source is critically dependent on the development of high-performance, inexpensive photocatalysts. Many candidate materials, including for example α-Fe2O3 (hematite), suffer from very poor charge transport with minority carrier diffusion lengths that are significantly shorter (nanometer scale) than the absorption depth of light (micrometer scale near the band edge). As a result, most of the photoexcited carriers recombine rather than participate in water-splitting reactions. For this reason, there is a tremendous opportunity for photon management. Plasmon-resonant nanostructures have been employed to effectively enhance light absorption in the near-surface region of photocatalysts, but this approach suffers from intrinsic optical losses in the metal. Here, we circumvent this issue by driving optical resonances in the active photocatalyst material itself. We illustrate that judiciously nanopatterned photocatalysts support optical Mie and guided resonances capable of substantially enhancing the photocarrier generation rate within 10-20 nm from the water/photocatalyst interface.

Investigation of microstructural and optical properties of La0.8Ca0.2FeO3 nanostructure synthesized via gel combustion method

NASA Astrophysics Data System (ADS)

Naseem, Swaleha; Ali, S. Asad; Khan, Wasi; Khan, Shakeel

2018-05-01

Ca substituted LaFeO3 orthoferrite nanostructure perovskite has been synthesized by gel combustion method using citric acid as a fuel. The structural and optical properties were investigated by various tools. The structural analysis through Rietveld refinement of the XRD data revealed single phase of orthorhombic structure in R-3c space group of the sample without presence of any other impurity phase. Scanning electron microscopy (SEM) image exhibits non-uniform distribution of the nanoparticles in agglomerated form. The purity of the sample and stoichiometric ratio of the elements were established through energy dispersive x-ray spectroscopy (EDS). FTIR spectroscopy measurement predicts the presence of various band relation of the chemical species of Ca with LaFeO3. Optical properties were explored through UV-visible absorption spectroscopy that showed absorption edge at 347 nm and energy band gap was estimated as 3.47eV using Tauc's relation.

Polarization Dependent X-ray Absorption Spectroscopy of the TiO2 Polymorphs Anatase (001) and Rutile (001)

NASA Astrophysics Data System (ADS)

Ederer, D. L.; Ruzycki, N.; Schuler, T.; Zhang, G. P.; Callcott, T. A.; Nachimuthu, P.; Perera, R. C. C.

2002-03-01

Polarization Dependent X-ray Absorption Spectroscopy of the TiO2 Polymorphs Anatase (001) and Rutile (001) N. Ruzycki^a, T. Schuler^a, D.L. Ederer^a, T. A. Callcott^, G. P. Zhang^b, P. Nachimuthu^c,d, and R.C.C. Perera^c a-Tulane University, Department of Physics, New Orleans, LA, 70118 b- Univesity of Tennessee, Department of Physics and Astronomy, Knoxville, TN, 37996 c- Center for X-ray Optics, Lawrence Berkeley Laboratory, Berkeley, CA, d- Department of Chemistry, University of Nevada Las Vegas, Las Vegas NV, 89154 TiO2 is a useful industrial catalyst and has applications in gas sensing and photoelectric devices. All structures consist of octrahedrally-coordinated Ti atoms and three-fold coordinated O atoms. Anatase and rutile differ mainly in the amount of distortion in the octahedra. Because Soft X-ray Absorption Spectroscoy (SXAS) is sensitive to the ligand field, these small differences are reflected the spectra. In the experiment the electronic polarization vector was varied angulary along the equatorial and the longitudnal axes of the sixfold coordinated titanium atoms. This study showed a strong polarization dependence at the oxygen K-edge for rutile (001) and the anatase (001) in the t_2g and eg region for the equatorial bonds. The Titanium L-edge showed a smaller polarization dependence. There was no polarization dependence in the longitudinal direction for anatase (001) or rutile (001) in either the oxygen K-edge or the Ti-L edge. These data are compared with calculations of polarization-dependent matrix elements of the transitions.

Room temperature operation of electro-optical bistability in the edge-emitting tunneling-collector transistor laser

NASA Astrophysics Data System (ADS)

Feng, M.; Holonyak, N.; Wang, C. Y.

2017-09-01

Optical bistable devices are fundamental to digital photonics as building blocks of switches, logic gates, and memories in future computer systems. Here, we demonstrate both optical and electrical bistability and capability for switching in a single transistor operated at room temperature. The electro-optical hysteresis is explained by the interaction of electron-hole (e-h) generation and recombination dynamics with the cavity photon modulation in different switching paths. The switch-UP and switch-DOWN threshold voltages are determined by the rate difference of photon generation at the base quantum-well and the photon absorption via intra-cavity photon-assisted tunneling controlled by the collector voltage. Thus, the transistor laser electro-optical bistable switching is programmable with base current and collector voltage, and the basis for high speed optical logic processors.

Tuning nonlinear optical absorption properties of WS₂ nanosheets.

PubMed

Long, Hui; Tao, Lili; Tang, Chun Yin; Zhou, Bo; Zhao, Yuda; Zeng, Longhui; Yu, Siu Fung; Lau, Shu Ping; Chai, Yang; Tsang, Yuen Hong

2015-11-14

To control the optical properties of two-dimensional (2D) materials is a long-standing goal, being of both fundamental and technological significance. Tuning nonlinear optical absorption (NOA) properties of 2D transition metal dichalcogenides in a cost effective way has emerged as an important research topic because of its possibility to custom design NOA properties, implying enormous applications including optical computers, communications, bioimaging, and so on. In this study, WS2 with different size and thickness distributions was fabricated. The results demonstrate that both NOA onset threshold, F(ON), and optical limiting threshold, F(OL), of WS2 under the excitation of a nanosecond pulsed laser can be tuned over a wide range by controlling its size and thickness. The F(ON) and F(OL) show a rapid decline with the decrease of size and thickness. Due to the edge and quantum confinement effect, WS2 quantum dots (2.35 nm) exhibit the lowest F(ON) (0.01 J cm(-2)) and F(OL) (0.062 J cm(-2)) among all the samples, which are comparable to the lowest threshold achieved in graphene based materials, showing great potential as NOA materials with tunable properties.

Influence of europium (Eu3+) ions on the optical properties of boro tellurite glasses

NASA Astrophysics Data System (ADS)

Devaraja, C.; Gowda, G. V. Jagadeesha; Eraiah, B.

2018-05-01

The influence of Eu3+ ions on the Optical properties of Boro Tellurite Glasses of (70-x) B2O3-15TeO2-10Na2O- 5PbO-xEu2O3 with x = 0, 0.1, 0.2, 0.3, 0.4 and 0.5 mol% glasses were prepared by conventional melt quenching method and their physical and optical properties were investigated by using UV absorption spectra, which was recorded at room temperature in the UV-visible region of wavelength 200-1100 nm. By the absorption edge studies, the values of optical bandgap energies have been evaluated. The direct and indirect bandgap values ranges between 3.362 to 3.650 eV and 2.011 to 2.863 eV respectively. The refractive index, molar refraction and polarizability of oxide ions have been calculated by using Lorentz-Lorentz relations. The refractive index and molar refraction values were ranges from 2.241 to 2.358 and 76.147 to 79.915 cm3 respectively. The non-linear variations of the above optical parameters were discussed with respect to small variation of europium (Eu3+) ion concentration.

GT1_mbaes_1: HERschel Observations of Edge-on Spirals (HEROES)

NASA Astrophysics Data System (ADS)

Baes, M.

2010-03-01

We propose to use PACS and SPIRE to map the dust distribution in a sample of seven large edge-on spiral galaxies with regular dust lanes. We will look for the presence of cold dust at large galactocentric radii and investigate the link between dust, gas and metallicity as a function of radius. We will also constrain the vertical distribution of the dust and particularly look for dust emission at large heights above the plane of the galaxies. We will compare the observed Herschel maps with simulated maps resulting from detailed radiative transfer models based on optical and near-infrared images. This will enable us to investigate whether we can confirm the existence of a dust energy balance problem suggested by previous observations (the dust seen in absorption in optical maps underestimates the dust seen in emission) and investigate possible ways to alleviate this potential problem.

Slow photon amplification of gas-phase ethanol photo-oxidation in titania inverse opal photonic crystals

NASA Astrophysics Data System (ADS)

Jovic, Vedran; Idriss, Hicham; Waterhouse, Geoffrey I. N.

2016-11-01

Here we describe the successful fabrication of six titania inverse opal (TiO2 IO) photocatalysts with fcc[1 1 1] pseudo photonic band gaps (PBGs) tuned to span the UV-vis region. Photocatalysts were fabricated by a colloidal crystal templating and sol-gel approach - a robust and highly applicable bottom-up scheme which allowed for precise control over the geometric and optical properties of the TiO2 IO photocatalysts. Optical properties of the TiO2 IO thin films were investigated in detail by UV-vis transmittance and reflectance measurements. The PBG along the fcc[1 1 1] direction in the TiO2 IOs was dependent on the inter-planar spacing in the [1 1 1] direction, the incident angle of light and the refractive index of the medium filling the macropores in the IOs, in agreement with a modified Bragg's law expression. Calculated photonic band structures for the photocatalysts revealed a PBG along the Γ → L direction at a/λ ∼ 0.74, in agreement with the experimental optical data. By coupling the low frequency edge of the PBG along the [1 1 1] direction with the electronic absorption edge of anatase TiO2, a two-fold enhancement in the rate of gas phase ethanol photo-oxidation in air was achieved. This enhancement appears to be associated with a 'slow photon' effect that acts to both enhance TiO2 absorption and inhibit spontaneous emission (i.e. suppress electron-hole pair recombination).

Deep levels due to hydrogen in ZnO single crystals

NASA Astrophysics Data System (ADS)

Parmar, Narendra; Weber, Marc; Lynn, Kelvin

2009-05-01

Hydrogen impurities and oxygen vacancies are involved in the ˜0.7 eV shift of the optical absorption edge of ZnO. Deuterium causes a smaller shift. Titanium metal is used to bind hydrogen as it diffuses out of ZnO. Positron annihilation spectroscopy coupled with other techniques point to the presence of oxygen vacancies. Removing hydrogen followed by annealing in oxygen reduces the carrier concentration.

Free-Free Absorption on Parsec Scales in Seyfert Galaxies

NASA Astrophysics Data System (ADS)

Roy, A. L.; Ulvestad, J. S.; Wilson, A. S.; Colbert, E. J. M.; Mundell, C. G.; Wrobel, J. M.; Norris, R. P.; Falcke, H.; Krichbaum, T.

Seyfert galaxies come in two main types (types 1 and 2) and the difference is probably due to obscuration of the nucleus by a torus of dense molecular material. The inner edge of the torus is expected to be ionized by optical and ultraviolet emission from the active nucleus, and will radiate direct thermal emission (e.g. NGC 1068) and will cause free-free absorption of nuclear radio components viewed through the torus (e.g. Mrk 231, Mrk 348, NGC 2639). However, the nuclear radio sources in Seyfert galaxies are weak compared to radio galaxies and quasars, demanding high sensitivity to study these effects. We have been making sensitive phase referenced VLBI observations at wavelengths between 21 and 2 cm where the free-free turnover is expected, looking for parsec-scale absorption and emission. We find that free-free absorption is common (e.g. in Mrk 348, Mrk 231, NGC 2639, NGC 1068) although compact jets are still visible, and the inferred density of the absorber agrees with the absorption columns inferred from X-ray spectra (Mrk 231, Mrk 348, NGC 2639). We find one-sided parsec-scale jets in Mrk 348 and Mrk 231, and we measure low jet speeds (typically £ 0.1 c). The one-sidedness probably is not due to Doppler boosting, but rather is probably free-free absorption. Plasma density required to produce the absorption is Ne 3 2 105 cm-3 assuming a path length of 0.1 pc, typical of that expected at the inner edge of the obscuring torus.

Photoconductivity of Low-Bandgap Polymer and Polymer: Fullerene Bulk Heterojunction Studied by Constant Photocurrent Method

NASA Astrophysics Data System (ADS)

Malov, V. V.; Tameev, A. R.; Novikov, S. V.; Khenkin, M. V.; Kazanskii, A. G.; Vannikov, A. V.

2015-08-01

Optical and photoelectric properties of modern photosensitive polymers are of great interest due to their prospects for photovoltaic applications. In particular, an investigation of absorption and photoconductivity edge of these materials could provide valuable information. For these purpose we applied the constant photocurrent method which has proved its efficiency for inorganic materials. PCDTBT and PTB7 polymers were used as objects for the study as well as their blends with a fullerene derivative PC71BM. The measurements by constant photocurrent method (CPM) show that formation of bulk heterojunction (BHJ) in the blends increases photoconductivity and results in a redshift of the photocurrent edge in the doped polymers compared with that in the neat polymers. Obtained from CPM data, spectral dependences of absorption coefficient were approximated using Gaussian distribution of density-of-states within HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) bands. The approximation procedure allowed us to evaluate rather optical than electrical bandgaps for the studied materials. Moreover, spectra of polymer:PC71BM blends were fitted well by the sum of two Gaussian peaks which reveal both the transitions within the polymer and the transitions involving charge transfer states at the donor-acceptor interface in the BHJ.

Role of annealing temperatures on structure polymorphism, linear and nonlinear optical properties of nanostructure lead dioxide thin films

NASA Astrophysics Data System (ADS)

Zeyada, H. M.; Makhlouf, M. M.

2016-04-01

The powder of as synthesized lead dioxide (PbO2) has polycrystalline structure β-PbO2 phase of tetragonal crystal system. It becomes nanocrystallites α-PbO2 phase with orthorhombic crystal system upon thermal deposition to form thin films. Annealing temperatures increase nanocrystallites size from 28 to 46 nm. The optical properties of α-PbO2 phase were calculated from absolute values of transmittance and reflectance at nearly normal incidence of light by spectrophotometer measurements. The refractive and extinction indices were determined and showed a response to annealing temperatures. The absorption coefficient of α-PbO2 films is >106 cm-1 in UV region of spectra. Analysis of the absorption coefficient spectra near optical edge showed indirect allowed transition. Annealing temperature decreases the value of indirect energy gap for α-PbO2 films. The dispersion parameters such as single oscillator energy, dispersion energy, dielectric constant at high frequency and lattice dielectric constant were calculated and its variations with annealing temperatures are reported. The nonlinear refractive index (n2), third-order nonlinear susceptibility (χ(3)) and nonlinear absorption coefficient (βc) were determined. It was found that χ(3), n2 and β increase with increasing photon energy and decrease with increasing annealing temperature. The pristine film of α-PbO2 has higher values of nonlinear optical constants than for annealed films; therefore it is suitable for applications in manufacturing nonlinear optical devices.

Optical Absorption Spectra of Hydrogenated Microcrystalline Silicon Films by Resonant Photothermal Bending Spectroscopy

NASA Astrophysics Data System (ADS)

Kunii, Toshie; Yoshida, Norimitsu; Hori, Yasuro; Nonomura, Shuichi

2006-05-01

A resonant photothermal bending spectroscopy (PBS) is demonstrated for the measurement of absorption coefficient spectra in hydrogenated microcrystalline silicon (μc-Si:H) and hydrogenated microcrystalline cubic silicon carbide (μc-3C-SiC:H) films. The resonant vibration technique utilized in PBS establishes the sensitivity as α d˜ 5× 10-5 in a vacuum measurement. Appling resonant PBS to μc-Si:H films, a new extra absorption coefficient αex spectrum is observed from 0.6 to 1.2 eV. The αex spectrum has a peak at ˜1.0 eV, and the localized states inducing the αex are located ˜0.35 eV below the conduction band edge of μc-Si:H. A possible explanation for the observed localized state is that an oxidation produces weak bonds at the grain boundaries and/or amorphous silicon tissues. In μc-3C-SiC:H film, an optical band-gap energy of ˜2.2 eV was demonstrated assuming an indirect optical transition. The temperature coefficient of the optical band-gap energy was ˜2.3× 10-4 eV K-1. The αex spectrum of μc-3C-SiC:H film is plateau-shaped and its magnitude is in accord with an increase in grain size.

Spectroscopic ellipsometry study of Cu2ZnSnS4 bulk poly-crystals

NASA Astrophysics Data System (ADS)

Levcenko, S.; Hajdeu-Chicarosh, E.; Garcia-Llamas, E.; Caballero, R.; Serna, R.; Bodnar, I. V.; Victorov, I. A.; Guc, M.; Merino, J. M.; Pérez-Rodriguez, A.; Arushanov, E.; León, M.

2018-04-01

The linear optical properties of Cu2ZnSnS4 bulk poly-crystals have been investigated using spectroscopic ellipsometry in the range of 1.2-4.6 eV at room temperature. The characteristic features identified in the optical spectra are explained by using the Adachi analytical model for the interband transitions at the corresponding critical points in the Brillouin zone. The experimental data have been modeled over the entire spectral range taking into account the lowest E0 transition near the fundamental absorption edge and E1A and E1B higher energy interband transitions. In addition, the spectral dependences of the refractive index, extinction coefficient, absorption coefficient, and normal-incidence reflectivity values have been accurately determined and are provided since they are essential data for the design of Cu2ZnSnS4 based optoelectronic devices.

Stabilization and enhanced energy gap by Mg doping in ɛ-phase Ga2O3 thin films

NASA Astrophysics Data System (ADS)

Bi, Xiaoyu; Wu, Zhenping; Huang, Yuanqi; Tang, Weihua

2018-02-01

Mg-doped Ga2O3 thin films with different doping concentrations were deposited on sapphire substrates using laser molecular beam epitaxy (L-MBE) technique. X-ray diffraction (XRD), x-ray photoelectron spectroscopy (XPS) and ultraviolet-visible (UV-vis) absorption spectrum were used to characterize the crystal structure and optical properties of the as-grown films. Compared to pure Ga2O3 thin film, the Mg-doped thin films have transformed from the most stable β-phase into ɛ-phase. The absorption edge shifted to about 205 nm and the optical bandgap increased to ˜ 6 eV. These properties reveal that Mg-doped Ga2O3 films may have potential applications in the field of deep ultraviolet optoelectronic devices, such as deep ultraviolet photodetectors, short wavelength light emitting devices and so on.

Dye anchored ZnO nanoparticles: The positive and negative photoluminescence quenching effects

NASA Astrophysics Data System (ADS)

Ganesh, T.; Kim, Jong Hoon; Yoon, Seog Joon; Lee, Sangjin; Lee, Wonjoo; Mane, Rajaram S.; Han, Jin Wook; Han, Sung-Hwan

2009-10-01

The positive and negative photoluminescence quenching effects in dye [BCMoxo and BCtCM (curcumin-derived molecules)] anchored ZnO nanoparticles (NPs) are investigated using the optical and electronic properties. The photoluminescence, band gap (BCMoxo, 2.2 eV; BCtCM, 2.3 eV), and wettability studies confirm an optical quenching, well-matched electronic structure and relative hydrophobic nature, respectively, in the presence of dicarboxylic anchor groups (BCtCM) on ZnO NPs in contrast to that of keto groups (BCMoxo). Systematic change in UV-visible absorption band edge is noticeable for the BCtCM and BCMoxo-anchored ZnO NPs. The atomic absorption spectroscopy and inductively coupled-mass-spectroscopy analysis quantitatively verifies the amount of BCtCM dye molecules present on ZnO NPs surface area about three times higher than that of BCMoxo dye molecule without anchor groups.

Plasma Reflection in Multigrain Layers of Narrow-Bandgap Semiconductors

NASA Astrophysics Data System (ADS)

Zhukov, N. D.; Shishkin, M. I.; Rokakh, A. G.

2018-04-01

Qualitatively similar spectral characteristics of plasma-resonance reflection in the region of 15-25 μm were obtained for layers of electrodeposited submicron particles of InSb, InAs, and GaAs and plates of these semiconductors ground with M1-grade diamond powder. The most narrow-bandgap semiconductor InSb (intrinsic absorption edge ˜7 μm) is characterized by an absorption band at 2.1-2.3 μm, which is interpreted in terms of the model of optical excitation of electrons coupled by the Coulomb interaction. The spectra of a multigrain layer of chemically deposited PbS nanoparticles (50-70 nm) exhibited absorption maxima at 7, 10, and 17 μm, which can be explained by electron transitions obeying the energy-quantization rules for quantum dots.

How to assess good candidate molecules for self-activated optical power limiting

NASA Astrophysics Data System (ADS)

Lundén, Hampus; Glimsdal, Eirik; Lindgren, Mikael; Lopes, Cesar

2018-03-01

Reverse saturable absorbers have shown great potential to attenuate laser radiation. Good candidate molecules and various particles have successfully been incorporated into different glass matrices, enabling the creation of self-activated filters against damaging laser radiation. Although the performance of such filters has been impressive, work is still ongoing to improve the performance in a wider range of wavelengths and pulse widths. The purpose of this tutorial is, from an optical engineering perspective, to give an understanding of the strengths and weaknesses of this class of smart materials, how relevant photophysical parameters are measured and influence system performance and comment on the pitfalls in experimental evaluation of materials. A numerical population model in combination with simple physical formulas is used to demonstrate system behavior from a performance standpoint. Geometrical reasoning shows the advantage of reverse saturable absorption over nonlinear scattering due to a fraction of scattered light being recollected by imaging system optics. The numerical population model illustrates the importance of the optical power limiting performance during the leading edge of a nanosecond pulse, which is most strongly influenced by changes in the two-photon absorption cross section and the triplet linear absorption cross section for a modeled Pt-acetylide. This tutorial not only targets optical engineers evaluating reverse saturable absorbing materials but also aims to assist researchers with a chemistry background working on optical power limiting materials. We also present photophysical data for a series of coumarins that can be useful for the determination of quantum yields and two-photon cross sections and show examples of characterization of molecules with excited triplet states.

The synthesis of high yield Au nanoplate and optimized optical properties

NASA Astrophysics Data System (ADS)

Ni, Yuan; Kan, Caixia; Xu, Juan; Liu, Yang

2018-02-01

The applications of Au nanoplates based on the tunable plasmon properties and enhanced electromagnetic field at the sharp tip and straight edges, have generated a great deal of interest in recent years, especially in the fields of the bio-chemical sensing and imaging. In this review, we focus on the synthesis of nanoscale platelike structures by multiple synthetic strategies (such as thermal solution method, seed-mediated method, seedless method, and some greener methods), and explore corresponding growth mechanism in different synthetic approaches. Other than to review the fabrication of Au nanoplates, the purification strategies are also discussed in order to support the applications in various fields. Modifying synthetic method to obtain well-defined nanoplates can tuned optical absorption from visible to near-infrared region. Moreover, the Au nanoplate dimers (vertex-to-vertex and edge-by-edge assemblies) can induce more specific plasmon properties and stronger localized field due to coupling of interparticles. Compared with 0D quasi-spherical nanoparticles and 1D nanorods, the 2D nanoplates can be applied as a good surface-enhanced Raman scattering (SERS) substrate because of the sharp corners and straight edges. This review will provide background information for the controllable synthesis of anisotropic nanoparticles and advance the application of coupled nanostructures.

Optical stability of 3d transition metal ions doped-cadmium borate glasses towards γ-rays interaction

NASA Astrophysics Data System (ADS)

Marzouk, M.; ElBatal, H.; Eisa, W.

2016-07-01

This work reports the preparation of glasses of binary cadmium borate with the basic composition (mol% 45 CdO 55 B2O3) and samples of the same composition containing 0.2 wt% dopants of 3d transition metal (TM) oxides (TiO2 → CuO). The glasses have been investigated by combined optical and Fourier Transform infrared spectroscopic measurements before and after being subjected to gamma irradiation with a dose of 8 Mrad (8 × 104 Gy). Optical absorption of the undoped glass before irradiation reveals strong charge transfer UV absorption which is related to the presence of unavoidable contaminated trace iron impurities (mainly Fe3+) within the raw materials used for the preparation of the base cadmium borate glass. The optical spectra of the 3d TM ions exhibit characteristic bands which are related the stable oxidation state of the 3d TM ions within the host glass. Gamma irradiation produces some limited variations in the optical spectra due to the stability of the host glass containing high percent 45 mol% of heavy metal oxide (CdO) which causes some shielding effects towards irradiation. From the absorption edge data, the values of the optical band gap Eopt and Urbach energy (ΔE) have been calculated. The values of the optical energy gap are found to be dependent on the glass composition. Infrared absorption spectral measurements reveal characteristic absorption bands due to both triangular and tetrahedral borate groups with the BO3 units vibrations more intense than BO4 units due to the known limit value for the change of BO3 to BO4 groups. The introduction of 3d TM ions with the doping level (0.2 wt%) causes no changes in the number or position of the IR bands because of the presence of TM ions in modifying sites in the glass network. It is observed that gamma irradiation causes some limited changes in the FT-IR spectral bands due to the stability of the host heavy cadmium borate glass.

On the Electronic Structure of Cu Chlorophyllin and Its Breakdown Products: A Carbon K-Edge X-ray Absorption Spectroscopy Study.

PubMed

Witte, Katharina; Mantouvalou, Ioanna; Sánchez-de-Armas, Rocío; Lokstein, Heiko; Lebendig-Kuhla, Janina; Jonas, Adrian; Roth, Friedrich; Kanngießer, Birgit; Stiel, Holger

2018-02-15

Using near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, the carbon backbone of sodium copper chlorophyllin (SCC), a widely used chlorophyll derivative, and its breakdown products are analyzed to elucidate their electronic structure and physicochemical properties. Using various sample preparation methods and complementary spectroscopic methods (including UV/Vis, X-ray photoelectron spectroscopy), a comprehensive insight into the SCC breakdown process is presented. The experimental results are supported by density functional theory calculations, allowing a detailed assignment of characteristic NEXAFS features to specific C bonds. SCC can be seen as a model system for the large group of porphyrins; thus, this work provides a novel and detailed description of the electronic structure of the carbon backbone of those molecules and their breakdown products. The achieved results also promise prospective optical pump/X-ray probe investigations of dynamic processes in chlorophyll-containing photosynthetic complexes to be analyzed more precisely.

Effects of X-ray irradiation on the Eu3+ → Eu2+ conversion in CaAl2O4 phosphors

NASA Astrophysics Data System (ADS)

Gomes, Manassés A.; Carvalho, Jéssica C.; Andrade, Adriano B.; Rezende, Marcos V.; Macedo, Zélia S.; Valerio, Mário E. G.

2018-01-01

This paper reports structural and luminescence properties of Eu-doped CaAl2O4 produced by an alternative sol-gel method using coconut water. Results of differential thermal analysis (DTA), thermogravimetric analysis (TGA), and X-ray diffraction (XRD) allowed us to identify the best synthesis conditions for sample preparation. Simultaneous measurements of X-ray absorption spectroscopy (XAS) and X-ray excited optical luminescence (XEOL) were also performed in the X-ray energy range of the Eu LIII edge. Results from photoluminescence (PL) showed only the characteristic Eu3+ emission. However, radioluminescence emission spectra from Eu-doped CaAl2O4 shows a process of conversion of Eu3+ to Eu2+, which is induced by X-ray irradiation and is dependent on the radiation dose energy. X-ray absorption near edge structure (XANES) measurements corroborate Eu reduction due to irradiation, showing that only the Eu3+ ion is present in stable form in the CaAl2O4.

Electrical and optical properties of Si-doped Ga2O3

NASA Astrophysics Data System (ADS)

Li, Yin; Yang, Chuanghua; Wu, Liyuan; Zhang, Ru

2017-05-01

The charge densities, band structure, density of states, dielectric functions of Si-doped β-Ga2O3 have been investigated based on the density functional theory (DFT) within the hybrid functional HSE06. The heavy doping makes conduction band split out more bands and further influences the band structure. It decreases the band gap and changes from a direct gap to an indirect gap. After doping, the top of the valence bands is mainly composed by the O-2p states, Si-3p states and Ga-4p states and the bottom of the conduction bands is almost formed by the Si-3s, Si-3p and Ga-4s orbits. The anisotropic optical properties have been investigated by means of the complex dielectric function. After the heavy Si doping, the position of absorption band edges did not change much. The slope of the absorption curve descends and indicates that the absorption became more slow for Si-doped β-Ga2O3 than undoped one due to the indirect gap of Si-doped β-Ga2O3.

Colour-causing defects and their related optoelectronic transitions in single crystal CVD diamond.

PubMed

Khan, R U A; Cann, B L; Martineau, P M; Samartseva, J; Freeth, J J P; Sibley, S J; Hartland, C B; Newton, M E; Dhillon, H K; Twitchen, D J

2013-07-10

Defects causing colour in nitrogen-doped chemical vapour-deposited (CVD) diamond can adversely affect the exceptional optical, electronic and spintronic properties of the material. Several techniques were used to study these defects, namely optical absorption spectroscopy, thermoluminescence (TL) and electron paramagnetic resonance (EPR). From our studies, the defects causing colour in nitrogen-doped CVD diamond are clearly not the same as those causing similar colour in natural diamonds. The brown colour arises due to a featureless absorption profile that decreases in intensity with increasing wavelength, and a broad feature at 360 nm (3.49 eV) that scales in intensity with it. Another prominent absorption band, centred at 520 nm (2.39 eV), is ascribed to the neutral nitrogen-vacancy-hydrogen defect. The defects responsible for the brown colour possess acceptor states that are 1.5 eV from the valence band (VB) edge. The brown colour is removed by heat treatment at 1600 ° C, whereupon new defects possessing shallow (<1 eV) trap states are generated.

Optical Properties of Nanocrystal Interfaces in Compressed MgO Nanopowders

PubMed Central

2011-01-01

The optical properties and charge trapping phenomena observed on oxide nanocrystal ensembles can be strongly influenced by the presence of nanocrystal interfaces. MgO powders represent a convenient system to study these effects due to the well-defined shape and controllable size distributions of MgO nanocrystals. The spectroscopic properties of nanocrystal interfaces are investigated by monitoring the dependence of absorption characteristics on the concentration of the interfaces in the nanopowders. The presence of interfaces is found to affect the absorption spectra of nanopowders more significantly than changing the size of the constituent nanocrystals and, thus, leading to the variation of the relative abundance of light-absorbing surface structures. We find a strong absorption band in the 4.0−5.5 eV energy range, which was previously attributed to surface features of individual nanocrystals, such as corners and edges. These findings are supported by complementary first-principles calculations. The possibility to directly address such interfaces by tuning the energy of excitation may provide new means for functionalization and chemical activation of nanostructures and can help improve performance and reliability for many nanopowder applications. PMID:21443262

Optical Properties of a Single Carbon Chain-Doped Silicene Nanoribbon

NASA Astrophysics Data System (ADS)

Lu, Dao-Bang; Song, Yu-Ling; Huang, Xiao-yu; Wang, Chong

2018-05-01

Using first-principles spin polarization density function theory calculations, we have studied the electronic and optical properties of zigzag-edge silicene nanoribbons (ZSiNRs) doped with a single carbon chain. Because of the doped carbon chain, there are several defect states in the band structures of ZSiNRs across the Fermi level, and the ferromagnetic ground state is metallic. The dielectric functions in all three dimensions are completely different from each other, and thus the system exhibits strong optical anisotropism. The carbon chain influenced the dielectric functions most at low energy. The first peak in the E//x direction of the dielectric spectrum exhibits a significant blueshift, and its value has changed as well. The main absorption wavelength depends on the polarization direction of the incident light, but occurs within the UV region for all polarization directions. The peaks of the energy loss spectra correspond to the trailing edges in the reflectivity spectrum, and the highest peak corresponds to a plasmon frequency. Our results could be useful for investigating nanodevices based on silicene nanoribbons.

Thermal noise in mid-infrared broadband upconversion detectors.

PubMed

Barh, Ajanta; Tidemand-Lichtenberg, Peter; Pedersen, Christian

2018-02-05

Low noise detection with state-of-the-art mid-infrared (MIR) detectors (e.g., PbS, PbSe, InSb, HgCdTe) is a primary challenge owing to the intrinsic thermal background radiation of the low bandgap detector material itself. However, researchers have employed frequency upconversion based detectors (UCD), operable at room temperature, as a promising alternative to traditional direct detection schemes. UCD allows for the use of a low noise silicon-CCD/camera to improve the SNR. Using UCD, the noise contributions from the nonlinear material itself should be evaluated in order to estimate the limits of the noise-equivalent power of an UCD system. In this article, we rigorously analyze the optical power generated by frequency upconversion of the intrinsic black-body radiation in the nonlinear material itself due to the crystals residual emissivity, i.e. absorption. The thermal radiation is particularly prominent at the optical absorption edge of the nonlinear material even at room temperature. We consider a conventional periodically poled lithium niobate (PPLN) based MIR-UCD for the investigation. The UCD is designed to cover a broad spectral range, overlapping with the entire absorption edge of the PPLN (3.5 - 5 µm). Finally, an upconverted thermal radiation power of ~30 pW at room temperature (~30°C) and a maximum of ~70 pW at 120°C of the PPLN crystal are measured for a CW mixing beam of power ~60 W, supporting a good quantitative agreement with the theory. The analysis can easily be extended to other popular nonlinear conversion processes including OPO, DFG, and SHG.

Solid state image sensing arrays

NASA Technical Reports Server (NTRS)

Sadasiv, G.

1972-01-01

The fabrication of a photodiode transistor image sensor array in silicon, and tests on individual elements of the array are described along with design for a scanning system for an image sensor array. The spectral response of p-n junctions was used as a technique for studying the optical-absorption edge in silicon. Heterojunction structures of Sb2S3- Si were fabricated and a system for measuring C-V curves on MOS structures was built.

Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers

NASA Astrophysics Data System (ADS)

Yan, Huang; Ziyu, Hu; Xu, Gong; Xiaohong, Shao

2018-01-01

The structural, electronic and photocatalytic properties of five vacancy-containing 2D BiI3 monolayers are investigated by the first-principle calculations. The electronic structures show that the five structures are stable and have comparable binding energies to that of the pristine BiI3 monolayer, and the defects can tune the band gaps. Optical spectra indicate that the five structures retain high absorption capacity for visible light. The spin-orbit coupling (SOC) effect is found to play an important role in the band edge of defective structures, and the VBi and VBi-I3 defective BiI3 monolayers can make absolute band edges straddle water redox potentials more easily.

Dynamic Optoelectronic Properties in Perovskite Oxide Thin Films Measured with Ultrafast Transient Absorption & Reflectance Spectroscopy

NASA Astrophysics Data System (ADS)

Smolin, Sergey Y.

Ultrafast transient absorption and reflectance spectroscopy are foundational techniques for studying photoexcited carrier recombination mechanisms, lifetimes, and charge transfer rates. Because quantifying photoexcited carrier dynamics is central to the intelligent design and improvement of many solid state devices, these transient optical techniques have been applied to a wide range of semiconductors. However, despite their promise, interpretation of transient absorption and reflectance data is not always straightforward and often relies on assumptions of physical processes, especially with respect to the influence of heating. Studying the material space of perovskite oxides, the careful collection, interpretation, and analysis of ultrafast data is presented here as a guide for future research into novel semiconductors. Perovskite oxides are a class of transition metal oxides with the chemical structure ABO3. Although traditionally studied for their diverse physical, electronic, and magnetic properties, perovskite oxides have gained recent research attention as novel candidates for light harvesting applications. Indeed, strong tunable absorption, unique interfacial properties, and vast chemical flexibility make perovskite oxides a promising photoactive material system. However, there is limited research characterizing dynamic optoelectronic properties, such as recombination lifetimes, which are critical to know in the design of any light-harvesting device. In this thesis, ultrafast transient absorption and reflectance spectroscopy was used to understand these dynamic optoelectronic properties in highquality, thin (<50 nm) perovskite oxide films grown by molecular beam epitaxy. Starting with epitaxial LaFeO3 (LFO) grown on (LaAlO 3)0.3(Sr2AlTaO6)0.7 (LSAT), transient absorption spectroscopy reveals two photoinduced absorption features at the band gap of LFO at 2.4 eV and at the higher energy absorption edge at 3.5 eV. Using a combination of temperature-dependent, variable-angle spectroscopic ellipsometry and time-resolved ultrafast optical spectroscopy on a type I heterostructure, we clarify thermal and electronic contributions to spectral transients in LaFeO3. Upon comparison to thermally-derived static spectra of LaFeO3, we find that thermal contributions dominate the transient absorption and reflectance spectra above the band gap. A transient photoinduced absorption feature below the band gap at 1.9 eV is not reproduced in the thermally derived spectra and has significantly longer decay kinetics from the thermallyinduced features; therefore, this long lived photoinduced absorption is likely derived, at least partially, from photoexcited carriers with lifetimes much longer than 3 nanoseconds. LaFeO3 has a wide band gap of 2.4 eV but its absorption can be decreased with chemical substitution of Sr for Fe to make it more suitable for various applications. This type of A-site substitution is a common route to change static optical absorption in perovskite oxides, but there are no systematic studies looking at how A-site substitution changes dynamic optoelectronic properties. To understand the relationship between composition and static and dynamic optical properties we worked with the model system of La1-xSrxFeO 3-delta epitaxial films grown on LSAT, uncovering the effects of A-site cation substitution and oxygen stoichiometry. Variable-angle spectroscopic ellipsometry was used to measure static optical properties, revealing a linear increase in absorption coefficient at 1.25 eV and a red-shifting of the optical absorption edge with increasing Sr fraction. The absorption spectra can be similarly tuned through the introduction of oxygen vacancies, indicating the critical role that nominal Fe valence plays in optical absorption. Dynamic optoelectronic properties were studied with ultrafast transient reflectance spectroscopy with broadband visible (1.6 eV to 4 eV) and near-infrared (0.9 eV to 1.5 eV) probes. The sign of the reflectance change in the near-infrared region in LSFO is indicative of carrier bandfilling of newly created electronic states by photoexcited carriers. Moreover, we find that similar transient spectral trends can be induced with A-site substitution or through oxygen vacancies, which is a surprising result. Probing the near-infrared region reveals similar nanosecond (1-3 ns) photoexcited carrier lifetimes for oxygen deficient and stoichiometric films. These results demonstrate that while the static optical absorption is strongly dependent on nominal Fe valence tuned through cation or anion stoichiometry, oxygen vacancies do not appear to play a significantly detrimental role in long lived recombination kinetics. Although this thesis represents one of the first comprehensive studies using broad band transient absorption and reflectance spectroscopy to study dynamic optoelectronic phenomena in perovskite oxides, it can also serve as a guide for the implementation and interpretation of ultrafast spectroscopy in other material systems. Moreover, the ultrafast work on perovskite oxides indicates that these materials have long nanosecond lifetimes required for light harvesting devices and should be investigated further.

Electronic and optical properties of nanocrystalline WO3 thin films studied by optical spectroscopy and density functional calculations

NASA Astrophysics Data System (ADS)

Johansson, Malin B.; Baldissera, Gustavo; Valyukh, Iryna; Persson, Clas; Arwin, Hans; Niklasson, Gunnar A.; Österlund, Lars

2013-05-01

The optical and electronic properties of nanocrystalline WO3 thin films prepared by reactive dc magnetron sputtering at different total pressures (Ptot) were studied by optical spectroscopy and density functional theory (DFT) calculations. Monoclinic films prepared at low Ptot show absorption in the near infrared due to polarons, which is attributed to a strained film structure. Analysis of the optical data yields band-gap energies Eg ≈ 3.1 eV, which increase with increasing Ptot by 0.1 eV, and correlate with the structural modifications of the films. The electronic structures of triclinic δ-WO3, and monoclinic γ- and ε-WO3 were calculated using the Green function with screened Coulomb interaction (GW approach), and the local density approximation. The δ-WO3 and γ-WO3 phases are found to have very similar electronic properties, with weak dispersion of the valence and conduction bands, consistent with a direct band-gap. Analysis of the joint density of states shows that the optical absorption around the band edge is composed of contributions from forbidden transitions (>3 eV) and allowed transitions (>3.8 eV). The calculations show that Eg in ε-WO3 is higher than in the δ-WO3 and γ-WO3 phases, which provides an explanation for the Ptot dependence of the optical data.

Tuning optical properties of transparent conducting barium stannate by dimensional reduction

DOE PAGES

Li, Yuwei; Zhang, Lijun; Ma, Yanming; ...

2015-01-30

We report calculations of the electronic structure and optical properties of doped n-type perovskite BaSnO 3 and layered perovskites. While doped BaSnO 3 retains its transparency for energies below the valence to conduction band onset, the doped layered compounds exhibit below band edge optical conductivity due to transitions from the lowest conduction band. This gives absorption in the visible for Ba 2SnO 4. It is important to minimize this phase in transparent conducting oxide (TCO) films. Ba 3Sn 2O 7 and Ba 4Sn 3O 10 have strong transitions only in the red and infrared, respectively. Thus, there may be opportunitiesmore » for using these as wavelength filtering TCO.« less

Optical constants, single-oscillator modal and refractive index dispersion analysis of lithium zinc bismuth borate glasses doped with Eu{sup 3+} ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boda, Ramesh; Srinivas, G.; Komaraiah, D.

2016-05-06

The glasses of composition xLi{sub 2}O-15ZnO- 20Bi{sub 2}O{sub 3}- (64 - x) B{sub 2}O{sub 3}- 1EuO (ZLB) (where x=0, 5, 10, 15, 20 mole %) prepared by melt-quenching technique. The amorphous nature of the prepared glasses was confirmed by XRD spectra. The UV-Vis optical absorption spectrum was recorded in the wave length range of 200-1000 nm. It is observed that the optical band gap is inversely changing with Urbach energy. The optical constants such as G (a constant proportional to the second-order deformation potential) and E{sub f} (a constant that depends on local coordination and is called as free energy ofmore » the glass system). The most significant result of the present work is the refractive index dispersion curves of the ZLB glasses obey the single-oscillator model and oscillator parameters (E{sub o}, E{sub d}) changed with the Li{sub 2}O content. the absorption edge, band gap and Urbach energy is changing nonlinearly with increasing content of Li{sub 2}O, which can be used to calculate the optical, physical, and other constants.« less

Process parameter-growth environment-film property relationships for reactive sputter deposited metal (V, Nb, Zr, Y, Au) oxide, nitride, and oxynitride films. Final report, 1 January 1989-30 June 1993

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aita, C.R.

1993-09-30

The research developed process parameter-growth environment-film property relations (phase maps) for model sputter-deposited transition metal oxides, nitrides, and oxynitrides grown by reactive sputter deposition at low temperature. Optical emission spectrometry was used for plasma diagnostics. The results summarized here include the role of sputtered metal-oxygen molecular flux in oxide film growth; structural differences in highest valence oxides including conditions for amorphous growth; and using fundamental optical absorption edge features to probe short range structural disorder. Eight appendices containing sixteen journal articles are included.

Optical characterizations of silver nanoprisms embedded in polymer thin film layers

NASA Astrophysics Data System (ADS)

Carlberg, Miriam; Pourcin, Florent; Margeat, Olivier; Le Rouzo, Judikael; Berginc, Gerard; Sauvage, Rose-Marie; Ackermann, Jorg; Escoubas, Ludovic

2017-10-01

The precise control of light-matter interaction has a wide range of applications and is currently driven by the use of nanoparticles (NPs) by the recent advances in nanotechnology. Taking advantage of the material, size, shape, and surrounding media dependence of the optical properties of plasmonic NPs, thin film layers with tunable optical properties are achieved. The NPs are synthesized by wet chemistry and embedded in a polyvinylpyrrolidone (PVP) polymer thin film layer. Spectrophotometer and spectroscopic ellipsometry measurements are coupled to finite-difference time domain numerical modeling to optically characterize the heterogeneous thin film layers. Silver nanoprisms of 10 to 50 nm edge size exhibit high absorption through the visible wavelength range. A simple optical model composed of a Cauchy law and a Lorentz law, accounting for the optical properties of the nonabsorbing polymer and the absorbing property of the nanoprisms, fits the spectroscopic ellipsometry measurements. Knowing the complex optical indices of heterogeneous thin film layers let us design layers of any optical properties.

Broadband ultrafast nonlinear absorption and ultra-long exciton relaxation time of black phosphorus quantum dots.

PubMed

Chen, Runze; Zheng, Xin; Jiang, Tian

2017-04-03

Black phosphorus (BP) has recently attracted significant attention for its brilliant physical and chemical features. The remarkable strong light-matter interaction and tunable direct wide range band-gap make it an ideal candidate in various application regions, especially saturable absorbers. In this paper, ultrasmall black phosphorus quantum dots (BPQDs), a unique form of phosphorus nanostructures, with average size of 5.7 ± 0.8 nm are synthesized. Compared with BP nanosheets (BPNs) with similar thickness, the ultrafast nonlinear optical (NLO) absorption properties and excited carrier dynamics are investigated in wide spectra. Beyond the saturation absorption (SA), giant two photon absorption (TPA) is observed in BPQDs. BPQDs exhibit quite different excitation intensity and wavelength dependent nonlinear optical (NLO) response from BPNs, which is attributed to the quantum confinement and edge effects. The BPQDs show broadband photon-induced absorption (PIA) under the probe wavelength from 470 nm to 850 nm and a fast and a slow decay time are obtained as long as 92 ± 10 ps and 1100 ± 100 ps, respectively. The substantial independence for ultra-long time scales of pump intensity and temperature reveals that the carrier recombination mechanism may be attributed to a defect-assisted Auger capture process. These findings will help to develop optoelectronic and photonic devices operating in the infrared and visible wavelength region.

Absorption-Edge-Modulated Transmission Spectra for Water Contaminant Monitoring

DTIC Science & Technology

2016-03-31

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9675 Absorption-Edge-Modulated Transmission Spectra for Water Contaminant ...ABSTRACT c. THIS PAGE 18. NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Absorption-Edge-Modulated Transmission Spectra for Water Contaminant Monitoring...Unlimited Unclassified Unlimited 35 Samuel G. Lambrakos (202) 767-2601 Monitoring of contaminants associated with specific water resources using

Optical characteristics of particles produced using electroerosion dispersion of titanium in hydrogen peroxide

NASA Astrophysics Data System (ADS)

Pyachin, S. A.; Burkov, A. A.; Makarevich, K. S.; Zaitsev, A. V.; Karpovich, N. F.; Ermakov, M. A.

2016-07-01

Titanium oxide particles are produced using electric-discharge dispersion of titanium in aqueous solution of hydrogen peroxide. Electron vacuum microscopy, X-ray diffraction, and diffuse reflection spectroscopy are used to study the morphology, composition, and optical characteristics of the erosion particles. It has been demonstrated that the particles consist of titanium and titanium oxides with different valences. The edge of the optical absorption is located in the UV spectral range. The band gap is 3.35 eV for indirect transitions and 3.87 eV for direct allowed transitions. The band gap decreases due to the relatively long heating in air at a temperature of 480-550°C, so that powder oxide compositions can be obtained, the optical characteristics of which are similar to optical characteristics of anatase. The erosion products are completely oxidized to rutile after annealing in air at a temperature of 1000°C.

Atomic multiplets at the L2,3 edge of 3d transition metals and the ligand K edge in x-ray absorption spectroscopy of ionic systems

NASA Astrophysics Data System (ADS)

Olalde-Velasco, P.; Jiménez-Mier, J.; Denlinger, J.; Yang, W.-L.

2013-06-01

Experimental X-ray absorption spectra at the fluorine K and transition metal L2,3 absorption edges of the MF2 (M=Cr-Ni) family are presented. Ligand field calculations in D4h symmetry show very good agreement with the transition metal L2,3 XAS spectra. To successfully explain nominal Cr2+ L2,3 XAS spectrum in CrF2, the inclusion of Cr+ and Cr3+ was needed implying the presence of a disproportionation reaction. The multiplet calculations were then modified to remove the structure of the 2p hole in the calculated M 2p→3d absorption spectra. These results for the 3dn+1 states are in one to one correspondence with the leading edge structures found at the fluorine K edge. A direct comparison with the metal L2,3 edges also indicates that there is evidence of the metal multiplet at the fluorine K pre-edge structures.

Plasmonic nanomeshes: their ambivalent role as transparent electrodes in organic solar cells

PubMed Central

Stelling, Christian; Singh, Chetan R.; Karg, Matthias; König, Tobias A. F.; Thelakkat, Mukundan; Retsch, Markus

2017-01-01

In this contribution, the optical losses and gains attributed to periodic nanohole array electrodes in polymer solar cells are systematically studied. For this, thin gold nanomeshes with hexagonally ordered holes and periodicities (P) ranging from 202 nm to 2560 nm are prepared by colloidal lithography. In combination with two different active layer materials (P3HT:PC61BM and PTB7:PC71BM), the optical properties are correlated with the power conversion efficiency (PCE) of the solar cells. A cavity mode is identified at the absorption edge of the active layer material. The resonance wavelength of this cavity mode is hardly defined by the nanomesh periodicity but rather by the absorption of the photoactive layer. This constitutes a fundamental dilemma when using nanomeshes as ITO replacement. The highest plasmonic enhancement requires small periodicities. This is accompanied by an overall low transmittance and high parasitic absorption losses. Consequently, larger periodicities with a less efficient cavity mode, yet lower absorptive losses were found to yield the highest PCE. Nevertheless, ITO-free solar cells reaching ~77% PCE compared to ITO reference devices are fabricated. Concomitantly, the benefits and drawbacks of this transparent nanomesh electrode are identified, which is of high relevance for future ITO replacement strategies. PMID:28198406

Effect of antimony on the optical and physical properties of Sb-V2O5-TeO2 glasses

NASA Astrophysics Data System (ADS)

Souri, Dariush; Mohammadi, Mousa; Zaliani, Hamideh

2014-11-01

Ternary glass systems of the form xSb-(60- x) V2O5-40TeO2 (Sx glasses) with 0 ≤ x ≤ 15 (in mol. %) have been prepared by using the normal melt quenching technique. The optical absorption spectra of these glasses have been recorded within wavelength range of 190 — 1100 nm. The absorption spectrum fitting method was employed to obtain the energy band gap. In this method, only the measurement of absorbance spectrum of the glass is needed. The position of the absorption edge and therefore the optical band gap values were found to be depend on glass composition. Results show that the optical band gap is in the range 1.57 — 2.14 eV. For each sample, the width of the band tail was determined. The densities of present glasses were measured and the molar volumes were calculated. Also, some thermal properties such as glass transition temperature ( T g) and crystallization temperature (TCr) were obtained by using differential scanning calorimetry (DSC) technique, and from which the glass thermal stability S and glass forming tendency K gl were calculated. Results show that these glasses (specially for x ≥ 10 mol. %) have good stability and therefore good resistance against thermal shocks for technological applications in fiber devices. Also, T g values indicate the rigidity and packing of the samples increase with increasing the Sb concentration as a network modifier. [Figure not available: see fulltext.

Electronic structure and x-ray spectroscopy of Cu2MnAl1-xGax

NASA Astrophysics Data System (ADS)

Rai, D. P.; Ekuma, C. E.; Boochani, A.; Solaymani, S.; Thapa, R. K.

2018-04-01

We explore the electronic and related properties of Cu2MnAl1-xGax with a first-principles, relativistic multiscattering Green function approach. We discuss our results in relation to existing experimental data and show that the electron-core hole interaction is essential for the description of the optical spectra especially in describing the X-ray absorption and magnetic circular dichroism spectra at the L2,3 edges of Cu and Mn.

Two-photon absorption of soft X-ray free electron laser radiation by graphite near the carbon K-absorption edge

NASA Astrophysics Data System (ADS)

Lam, Royce K.; Raj, Sumana L.; Pascal, Tod A.; Pemmaraju, C. D.; Foglia, Laura; Simoncig, Alberto; Fabris, Nicola; Miotti, Paolo; Hull, Christopher J.; Rizzuto, Anthony M.; Smith, Jacob W.; Mincigrucci, Riccardo; Masciovecchio, Claudio; Gessini, Alessandro; De Ninno, Giovanni; Diviacco, Bruno; Roussel, Eleonore; Spampinati, Simone; Penco, Giuseppe; Di Mitri, Simone; Trovò, Mauro; Danailov, Miltcho B.; Christensen, Steven T.; Sokaras, Dimosthenis; Weng, Tsu-Chien; Coreno, Marcello; Poletto, Luca; Drisdell, Walter S.; Prendergast, David; Giannessi, Luca; Principi, Emiliano; Nordlund, Dennis; Saykally, Richard J.; Schwartz, Craig P.

2018-07-01

We have examined the transmission of soft X-ray pulses from the FERMI free electron laser through carbon films of varying thickness, quantifying nonlinear effects of pulses above and below the carbon K-edge. At typical of soft X-ray free electron laser intensities, pulses exhibit linear absorption at photon energies above and below the K-edge, ∼308 and ∼260 eV, respectively; whereas two-photon absorption becomes significant slightly below the K-edge, ∼284.2 eV. The measured two-photon absorption cross section at 284.18 eV (∼6 × 10-48 cm4 s) is 7 orders of magnitude above what is expected from a simple theory based on hydrogen-like atoms - a result of resonance effects.

Operando Soft X-ray Absorption Spectroscopic Study on a Solid Oxide Fuel Cell Cathode during Electrochemical Oxygen Reduction.

PubMed

Nakamura, Takashi; Oike, Ryo; Kimura, Yuta; Tamenori, Yusuke; Kawada, Tatsuya; Amezawa, Koji

2017-05-09

An operando soft X-ray absorption spectroscopic technique, which enabled the analysis of the electronic structures of the electrode materials at elevated temperature in a controlled atmosphere and electrochemical polarization, was established and its availability was demonstrated by investigating the electronic structural changes of an La 2 NiO 4+δ dense-film electrode during an electrochemical oxygen reduction reaction. Clear O K-edge and Ni L-edge X-ray absorption spectra could be obtained below 773 K under an atmospheric pressure of 100 ppm O 2 /He, 0.1 % O 2 /He, and 1 % O 2 /He gas mixtures. Considerable spectral changes were observed in the O K-edge X-ray absorption spectra upon changing the PO2 and application of electrical potential, whereas only small spectral changes were observed in Ni L-edge X-ray absorption spectra. A pre-edge peak of the O K-edge X-ray absorption spectra, which reflects the unoccupied partial density of states of Ni 3d-O 2p hybridization, increased or decreased with cathodic or anodic polarization, respectively. The electronic structural changes of the outermost orbital of the electrode material due to electrochemical polarization were successfully confirmed by the operando X-ray absorption spectroscopic technique developed in this study. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Review—hexagonal boron nitride epilayers: Growth, optical properties and device applications

DOE PAGES

Jiang, H. X.; Lin, Jing Yu

2016-09-07

This paper provides a brief overview on recent advances made in authors’ laboratory in epitaxial growth and optical studies of hexagonal boron nitride (h-BN) epilayers and heterostructures. Photoluminescence spectroscopy has been employed to probe the optical properties of h-BN. It was observed that the near band edge emission of h-BN is unusually high and is more than two orders of magnitude higher than that of high quality AlN epilayers. It was shown that the unique quasi-2D nature induced by the layered structure of h-BN results in high optical absorption and emission. The impurity related and near band-edge transitions in h-BNmore » epilayers were probed for materials synthesized under varying ammonia flow rates. Our results have identified that the most dominant impurities and deep level defects in h-BN epilayers are related to nitrogen vacancies. By growing h-BN under high ammonia flow rates, nitrogen vacancy related defects can be eliminated and epilayers exhibiting pure free exciton emission have been obtained. Deep UV and thermal neutron detectors based on h-BN epilayers were shown to possess unique features. Lastly, it is our belief that h-BN will lead to many potential applications from deep UV emitters and detectors, radiation detectors, to novel 2D photonic and electronic devices.« less

Review—hexagonal boron nitride epilayers: Growth, optical properties and device applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, H. X.; Lin, Jing Yu

This paper provides a brief overview on recent advances made in authors’ laboratory in epitaxial growth and optical studies of hexagonal boron nitride (h-BN) epilayers and heterostructures. Photoluminescence spectroscopy has been employed to probe the optical properties of h-BN. It was observed that the near band edge emission of h-BN is unusually high and is more than two orders of magnitude higher than that of high quality AlN epilayers. It was shown that the unique quasi-2D nature induced by the layered structure of h-BN results in high optical absorption and emission. The impurity related and near band-edge transitions in h-BNmore » epilayers were probed for materials synthesized under varying ammonia flow rates. Our results have identified that the most dominant impurities and deep level defects in h-BN epilayers are related to nitrogen vacancies. By growing h-BN under high ammonia flow rates, nitrogen vacancy related defects can be eliminated and epilayers exhibiting pure free exciton emission have been obtained. Deep UV and thermal neutron detectors based on h-BN epilayers were shown to possess unique features. Lastly, it is our belief that h-BN will lead to many potential applications from deep UV emitters and detectors, radiation detectors, to novel 2D photonic and electronic devices.« less

Size effects on the structural, electronic, and optical properties of (5,0) finite-length carbon nanotube: An ab-initio electronic structure study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tarighi Ahmadpour, Mahdi; Rostamnejadi, Ali; Hashemifar, S. Javad

2016-07-07

We use density functional computations to study the zero temperature structural, electronic, magnetic, and optical properties of (5,0) finite carbon nanotubes (FCNT), with length in the range of 4–44 Å. It is found that the structural and electronic properties of (5,0) FCNTs, in the ground state, converge at a length of about 30 Å, while the excited state properties exhibit long-range edge effects. We discuss that curvature effects enhance energy gap of FCNTs, in contrast to the known trend in the periodic limit. It is seen that compensation of curvature effects in two special small sizes may give rise to spontaneous magnetization.more » The obtained cohesive energies provide some insights into the effects of environment on the growth of FCNTs. The second-order difference of the total energies reveals an important magic size of about 15 Å. The optical and dynamical magnetic responses of the FCNTs to polarized electromagnetic pulses are studied by time dependent density functional theory. The results show that the static and dynamic magnetic properties mainly come from the edge carbon atoms. The optical absorption properties are described in terms of local field effects and characterized by Casida linear response method.« less

Two-Photon Absorption of Soft X-Ray Free Electron Laser Radiation by Graphite Near the Carbon K-Absorption Edge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Christensen, Steven T; Lam, Royce K.; Raj, Sumana L.

We have examined the transmission of soft X-ray pulses from the FERMI free electron laser through carbon films of varying thickness, quantifying nonlinear effects of pulses above and below the carbon K-edge. At typical of soft X-ray free electron laser intensities, pulses exhibit linear absorption at photon energies above and below the K-edge, ~308 and ~260 eV, respectively; whereas two-photon absorption becomes significant slightly below the K-edge, ~284.2 eV. The measured two-photon absorption cross section at 284.18 eV (~6 x 10-48 cm4 s) is 7 orders of magnitude above what is expected from a simple theory based on hydrogen-like atomsmore » - a result of resonance effects.« less

Optical absorption and photoconductivity in iodine-excess ionic liquids: the case of 1-alkyl-3-methyl imidazolium iodides.

PubMed

Aono, Masami; Miyazaki, Hisashi; Takekiyo, Takahiro; Tsuzuki, Seiji; Abe, Hiroshi

2018-02-21

We investigated the optical absorption and photoconductivity of iodine-excess ionic liquids (ILs) based on 1-alkyl-3-methyl imidazolium iodide ([C n mim][I]; n = 3, 4, and 6). The iodide concentration m was 2 ≦ m ≦ 8, which was determined by the molar fraction [C n mim] +  : [I m ] - = 1 : m. By adding iodine, an absorption edge shifted from 282 nm in the UV region to around 600 nm in the visible-light region. The optical bandgaps E o decreased gradually from 2.3 eV to 1.9 eV with increasing m from 2 to 8. The alkyl-side chain lengths of the cations have little effect on the E o . This experimental result was confirmed by ab initio molecular orbital calculations. The effects were reflected in the photoconductivity of the ILs, as expected. [C 4 mim][I m ] exhibited greater photo-induced electron generation compared with [C 3 mim][I m ] and [C 6 mim][I m ]. The photoconductivity in both [C 3 mim][I m ] and [C 6 mim][I m ] increased slightly with increasing m. The trend of photoconductivity in [C 4 mim][I m ] exhibited an N-shaped form. The highest photoconductivity 1.6 was observed in [C 4 mim][I 8 ].

Effect of ZnSe and CdSe nanoparticles on the fluorescence and optical band gap of Sm3+ doped lead borate glasses

NASA Astrophysics Data System (ADS)

Fatokun, Stephen O.

For the first part of this work, we prepared a series of Sm-doped lead borate (PbO-B2O3) glasses containing zinc selenide (ZnSe) and cadmium selenide (CdSe) nanoparticles (NPs) and studied the Sm 3+ fluorescence by varying the glass composition and size of the NPs. We have chosen these heavy metal oxide glasses to incorporate Sm3+ ions because they have large glass forming region, high refractive index, and good physical and thermal stability. Lead borate glasses with the following compositions xPbO:(96.5-x)B2O 3:0.5Sm2O3:3ZnSe/CdSe, x=36.5 and 56.5 mol%) are prepared using the melt-quenching method. Transmission electron microscopy characterization was done to confirm both nucleation and growth of the NPs for different annealing times. Fluorescence spectra of these samples are obtained with the excitation wavelengths at 403 and 477nm. Three fluorescence transitions are observed at 563 nm, 598 nm and 646 nm. The transition at 646 nm is a electric dipole (ED) transition that strongly depends on the covalency of the Sm-O bond and the asymmetry of the crystal field at the Sm3+ site. The 646 nm/598 nm fluorescence intensity ratio has been studied for different annealing times and PbO concentration for both ZnSe and CdSe samples. Longer annealing times tend to make the crystal field at the Sm3+ site more symmetric in nature for these glasses. The presence of CdSe NPs is seen to produce the greatest influence on the fluorescence intensity ratio. This is believed to be due to the larger size of the CdSe nanoparticles and its stronger influence on Sm3+ ions. The second part of this work was dedicated to the understanding of the optical band gap of samarium doped lead borate glasses with and without ZnSe/CdSe NPs. Optical absorption spectra for all these glass samples show their absorption edge in the ultraviolet region. Detailed analysis of the absorption edge was carried out using the Mott-Davis model and the optical band gap and the width of the tail in the band gap (Urbach edge) were obtained. Our glass samples show both direct and indirect transitions. For samples without the NPs, the optical band gap decreases with increasing PbO concentration. The presence of ZnSe NPs shows a similar trend. The introduction of CdSe NPs, however, shows an increase in the optical band gap with increase in PbO contents. Our results indicate that CdSe NPs show markedly different effect on the optical properties of lead borate glasses compared to ZnSe NPs. TEM characterization shows that CdSe NPs are considerably larger than ZnSe NPs. These size differences could produce significant differences in the electronic properties of these NPs and their interaction with the glass matrices.

Enhanced photoemission from glancing angle deposited SiOx-TiO2 axial heterostructure nanowire arrays

NASA Astrophysics Data System (ADS)

Dhar, J. C.; Mondal, A.; Singh, N. K.; Chattopadhyay, K. K.

2013-05-01

The glancing angle deposition technique has been employed to synthesize SiOx-TiO2 heterostructure nanowire (NW) arrays on indium tin oxide (ITO) coated glass substrate. A field emission gun scanning electron microscopic image shows that the average diameter of the NWs is ˜50 nm. Transmission electron microscopy images show the formation of heterostructure NWs, which consist of ˜180 nm SiOx and ˜210 nm long TiO2. The selected-area electron diffraction shows the amorphous nature of the synthesized NWs, which was also confirmed by X-ray diffraction method. The main band absorption edges at 3.5 eV were found for both the SiOx-TiO2 and TiO2 NW arrays on ITO coated glass plate from optical absorption measurement. Ti3+ defect related sub-band gap transition at 2.5 eV was observed for TiO2 NWs, whereas heterostructure NWs revealed the SiOx optical band gap related transition at ˜2.2 eV. Two fold improved photon absorption as well as five times photoluminescence emission enhancement were observed for the SiOx-TiO2 multilayer NWs compared to TiO2 NWs.

Atomic scale origins of sub-band gap optical absorption in gold-hyperdoped silicon

NASA Astrophysics Data System (ADS)

Ferdous, Naheed; Ertekin, Elif

2018-05-01

Gold hyperdoped silicon exhibits room temperature sub band gap optical absorption, with potential applications as infrared absorbers/detectors and impurity band photovoltaics. We use first-principles density functional theory to establish the origins of the sub band gap response. Substitutional gold AuSi and substitutional dimers AuSi - AuSi are found to be the energetically preferred defect configurations, and AuSi gives rise to partially filled mid-gap defect bands well offset from the band edges. AuSi is predicted to offer substantial sub-band gap absorption, exceeding that measured in prior experiments by two orders of magnitude for similar Au concentration. This suggests that in experimentally realized systems, in addition to AuSi, the implanted gold is accommodated by the lattice in other ways, including other defect complexes and gold precipitates. We further identify that it is energetically favorable for isolated AuSi to form AuSi - AuSi, which by contrast do not exhibit mid-gap states. The formation of dimers and other complexes could serve as nuclei in the earliest stages of Au precipitation, which may be responsible for the observed rapid deactivation of sub-band gap response upon annealing.

Application of focused-beam flat-sample method to synchrotron powder X-ray diffraction with anomalous scattering effect

NASA Astrophysics Data System (ADS)

Tanaka, M.; Katsuya, Y.; Matsushita, Y.

2013-03-01

The focused-beam flat-sample method (FFM), which is a method for high-resolution and rapid synchrotron X-ray powder diffraction measurements by combination of beam focusing optics, a flat shape sample and an area detector, was applied for diffraction experiments with anomalous scattering effect. The advantages of FFM for anomalous diffraction were absorption correction without approximation, rapid data collection by an area detector and good signal-to-noise ratio data by focusing optics. In the X-ray diffraction experiments of CoFe2O4 and Fe3O4 (By FFM) using X-rays near the Fe K absorption edge, the anomalous scattering effect between Fe/Co or Fe2+/Fe3+ can be clearly detected, due to the change of diffraction intensity. The change of observed diffraction intensity as the incident X-ray energy was consistent with the calculation. The FFM is expected to be a method for anomalous powder diffraction.

Structural and optical properties of low temperature grown AlN films on sapphire using helicon sputtering system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Meei-Ru; Chen, Hou-Guang; Kao, Hui-Ling, E-mail: hlkao@cycu.edu.tw

2015-05-15

AlN thin films have been deposited directly on c-plane sapphire substrates at low temperatures by a helicon sputtering system. The structural quality of AlN epitaxial films was characterized by x-ray diffractometry and transmission electron microscopy. The films exhibit smooth surface with root-mean-square roughness as small as 0.7 nm evaluated by atomic force microscope. The optical transmittance spectra show a steep absorption edge at the wavelength of 200 nm and a high transmittance of over 80% in the visible range. The band-edge transition (6.30 eV) of AlN film was observed in the cathodoluminescence spectrum recorded at 11 K. The spectral response of metal–semiconductor–metal photodetectors constructedmore » with AlN/sapphire reveals the peak responsivity at 200 nm and a UV/visible rejection ratio of about two orders of magnitude. The results of this low temperature deposition suggest the feasibility of the epitaxial growth of AlN on sapphire substrates and the incorporation of the AlN films in the surface acoustic wave devices and the optical devices at deep ultraviolet region.« less

Broadband infrared absorption enhancement by electroless-deposited silver nanoparticles

NASA Astrophysics Data System (ADS)

Gritti, Claudia; Raza, Søren; Kadkhodazadeh, Shima; Kardynal, Beata; Malureanu, Radu; Mortensen, N. Asger; Lavrinenko, Andrei V.

2017-01-01

Decorating semiconductor surfaces with plasmonic nanoparticles (NPs) is considered a viable solution for enhancing the absorptive properties of photovoltaic and photodetecting devices. We propose to deposit silver NPs on top of a semiconductor wafer by a cheap and fast electroless plating technique. Optical characterization confirms that the random array of electroless-deposited NPs improves absorption by up to 20% in a broadband of near-infrared frequencies from the bandgap edge to 2000 nm. Due to the small filling fraction of particles, the reflection in the visible range is practically unchanged, which points to the possible applications of such deposition method for harvesting photons in nanophotonics and photovoltaics. The broadband absorption is a consequence of the resonant behavior of particles with different shapes and sizes, which strongly localize the incident light at the interface of a high-index semiconductor substrate. Our hypothesis is substantiated by examining the plasmonic response of the electroless-deposited NPs using both electron energy loss spectroscopy and numerical calculations.

X-Ray Absorption near Edge Structure Spectroscopy of Nanodiamonds from the Allende Meteorite

NASA Technical Reports Server (NTRS)

Flynn, G. J.; Keller, L. P.; Hill, H.; Jacobsen, C.; Wirick, S.

2000-01-01

Carbon X-ray Absorption Near Edge Structure Spectroscopy shows Allende DM nanodiamonds have two pre-edge peaks, consistent with other small diamonds, but fail to show a diamond exciton which is seen in 3.6 nm diamond thin films.

Development of a theory of the spectral reflectance of minerals, part 3

NASA Technical Reports Server (NTRS)

Aronson, J. R.; Emslie, A. G.; Roach, L. H.; Smith, E. M.; Vonthuena, P. C.

1972-01-01

Significant refinements were made in the theory of the diffuse reflectance of particulate media. The theory predicts the opposite trends of reflectance with particle size in regions of the spectrum in which the particles are semi-transparent and those in which they are opaque. Enhanced absorption caused by wave-optical effects of small surface asperities and edges was used to improve the theory. The same mechanism remedies the theory to account for the data in spectral regions of anomalous dispersion.

Resolving the Cygnus X-3 iron K line

NASA Technical Reports Server (NTRS)

Kitamoto, Shunji; Kawashima, Kenji; Negoro, Hitoshi; Miyamoto, Sigenori; White, N. E.; Nagase, Fumiaki

1994-01-01

An Advanced Satellite for Cosmology and Astrophysics (ASCA) observation of Cygnus X-3 on 1993 June 11, in its X-ray high intensity state, has for the first time resolved the broad iron K line emission into three components: a He-like line at 6.67 +/- 0.01 keV, a H-like line at 6.96 +/- 0.02 keV, and a neutral line at 6.37 +/- 0.03 keV. The line intensities of the 6.67 keV and 6.96 keV lines are modulated with the 4.8 hr orbital period and are maximum when the continuum intensity is minimum. There is a sharp minimum of the line intensity on the rising phase of the continuum intensity. An iron absorption edge is observed at 7.19 +/- 0.02 keV. The optical depth of the absorption edge varies from 0.3 to 0.5 and is in anti-phase with the overall X-ray continuum modulation. The observed complexity of the iron K line region is greater than that had been assumed in previous spectral modeling based on observations with lower resolution detectors.

Experimental determination of the absorption cross-section and molar extinction coefficient of CdSe and CdTe nanowires.

PubMed

Protasenko, Vladimir; Bacinello, Daniel; Kuno, Masaru

2006-12-21

Absorption cross-sections and corresponding molar extinction coefficients of solution-based CdSe and CdTe nanowires (NWs) are determined. Chemically grown semiconductor NWs are made via a recently developed solution-liquid-solid (SLS) synthesis, employing low melting Au/Bi bimetallic nanoparticle "catalysts" to induce one-dimensional (1D) growth. Resulting wires are highly crystalline and have diameters between 5 and 12 nm as well as lengths exceeding 10 microm. Narrow diameters, below twice the corresponding bulk exciton Bohr radius of each material, place CdSe and CdTe NWs within their respective intermediate to weak confinement regimes. Supporting this are solution linear absorption spectra of NW ensembles showing blue shifts relative to the bulk band gap as well as structure at higher energies. In the case of CdSe, the wires exhibit band edge emission as well as strong absorption/emission polarization anisotropies at the ensemble and single-wire levels. Analogous photocurrent polarization anisotropies have been measured in recently developed CdSe NW photodetectors. To further support fundamental NW optical/electrical studies as well as to promote their use in device applications, experimental absorption cross-sections are determined using correlated transmission electron microscopy, UV/visible extinction spectroscopy, and inductively coupled plasma atomic emission spectroscopy. Measured CdSe NW cross-sections for 1 microm long wires (diameters, 6-42 nm) range from 6.93 x 10(-13) to 3.91 x 10(-11) cm2 at the band edge (692-715 nm, 1.73-1.79 eV) and between 3.38 x 10(-12) and 5.50 x 10(-11) cm2 at 488 nm (2.54 eV). Similar values are obtained for 1 microm long CdTe NWs (diameters, 7.5-11.5 nm) ranging from 4.32 x 10(-13) to 5.10 x 10(-12) cm2 at the band edge (689-752 nm, 1.65-1.80 eV) and between 1.80 x 10(-12) and 1.99 x 10(-11) cm2 at 2.54 eV. These numbers compare well with previous theoretical estimates of CdSe/CdTe NW cross-sections far to the blue of the band edge, having order of magnitude values of 1.0 x 10(-11) cm2 at 488 nm. In all cases, experimental NW absorption cross-sections are 4-5 orders of magnitude larger than those for corresponding colloidal CdSe and CdTe quantum dots. Even when volume differences are accounted for, band edge NW cross-sections are larger by up to a factor of 8. When considered along with their intrinsic polarization sensitivity, obtained NW cross-sections illustrate fundamental and potentially exploitable differences between 0D and 1D materials.

Self-cavity lasing in optically pumped single crystals of p-sexiphenyl

NASA Astrophysics Data System (ADS)

Yanagi, Hisao; Tamura, Kenji; Sasaki, Fumio

2016-08-01

Organic single-crystal self-cavities are prepared by solution growth of p-sexiphenyl (p-6P). Based on Fabry-Pérot feedback inside a quasi-lozenge-shaped platelet crystal, edge-emitting laser is obtained under optical pumping. The multimode lasing band appears at the 0-1 or 0-2 vibronic progressions depending on the excitation conditions which affect the self-absorption effect. Cavity-size dependence of amplified spontaneous emission (ASE) is investigated with laser-etched single crystals of p-6P. As the cavity length of square-shaped crystal is reduced from 100 to 10 μm, ASE threshold fluence is decreased probably due to size-dependent light confinement in the crystal cavity.

Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study

NASA Astrophysics Data System (ADS)

Sredojević, Dušan N.; Kovač, Tijana; Džunuzović, Enis; Ðorđević, Vesna; Grgur, Branimir N.; Nedeljković, Jovan M.

2017-10-01

The charge transfer complex formation between TiO2 powder and variety of phenol derivatives (phenol, 4-nitrophenol, 4-bromophenol, 4-tert-butylphenol, hydroquinone) was achieved. The red-shift of optical absorption was observed upon surface modification of TiO2 powders with phenol derivatives. The influence of substituent functional groups in para position on the optical band gap and conduction band edge of inorganic/organic hybrids was studied using reflection spectroscopy and cyclic voltammetry. The experimental findings were supported by density functional theory calculations. The measured reflection spectra of surface-modified TiO2 powders with phenol derivatives were compared with calculated electronic excitation spectra of corresponding model systems.

Optical properties of cerium doped oxyfluoroborate glass.

PubMed

Bahadur, A; Dwivedi, Y; Rai, S B

2013-06-01

Cerium doped oxyfluoroborate glasses have been prepared and its spectroscopic properties have been discussed. It is found that the absorption edge shifts towards the lower energy side for the higher concentration of cerium dopant. Optical band gap for these glasses have been calculated and it is found that the number of non-bridging oxygen increases with cerium content. The emission spectra of these glasses have been recorded using UV laser radiations (266 and 355 nm) and it is observed that these glasses show bright blue emission. On the basis of excitation and emission spectra we have reported the existence of at least two different emission centers of Ce(3+)ions. Copyright © 2013 Elsevier B.V. All rights reserved.

Intersubband linear and nonlinear optical response of the delta-doped SiGe quantum well

NASA Astrophysics Data System (ADS)

Duque, C. A.; Akimov, V.; Demediuk, R.; Belykh, V.; Tiutiunnyk, A.; Morales, A. L.; Restrepo, R. L.; Mora-Ramos, M. E.; Fomina, O.; Tulupenko, V.

2015-11-01

The degree of ionization, controlled by external fields, of delta-doped layers inside the quantum wells can affect their energy structure, therefore delta-doped QWs can be used to engineer different kinds of tunable THz optical devices on intersubband transitions. Here it is calculated and analyzed the linear and nonlinear (Kerr-type) optical response, including absorption coefficient and refractive index change of 20 nm-wide Si0.8Ge0.2/Si/Si0.8Ge0.2 QW structures n-delta-doped either at the center or at the edge of the well under different temperatures. The conduction subband energy structure was found self-consistently, including the calculation of the impurity binding energy. Our results show that the degree of ionization of the impurity layer as well as the heterostructure symmetry has a strong influence on optical properties of the structures in THz region.

Theoretical Calculations of Refractive Properties for Hg3Te2Cl2 Crystals

NASA Astrophysics Data System (ADS)

Bokotey, O. V.

2016-05-01

This paper reviews the optical properties, such as refractive index, optical dielectric constant, and reflection coefficient of the Hg3Te2Cl2 crystals. The applications of the Hg3X2Y2 crystals as electronic, optical, and optoelectronic devices are very much determined by the nature and magnitude of these fundamental material properties. The origin of chemical bonding in the crystals is very important for definition of the physical and chemical properties. The main structural feature of the Hg3X2Y2 crystals is the presence of covalent pyramids [XHg3] and linear X-Hg-X groups. Optical properties are calculated according to the model proposed by Harrison. The refractive index in the spectral region far from the absorption edge is determined within the generalized single-oscillator model. The calculated results are found to be in good agreement with experimental data.

Effect of silver nanoparticles on the fluorescence of Pb2+ and compositional dependence of Sm3+ fluorescence in borate glasses

NASA Astrophysics Data System (ADS)

Olumoroti, Akinloluwa T.

Borate glasses have been widely studied due to their good optical and mechanical properties. Lead and bismuth (PbO/Bi2O 3:B2O3) borate glasses belong to a family of heavy metal oxide (HMO) glasses which are well known to be chemically durable, stable against atmospheric moisture, have low melting temperatures and good corrosion resistance. The first part of this work deals with lead borate glasses with silver nanoparticles (NPs) introduced into the glass matrix. Transmission electron microscopy characterization is done to verify the nucleation of NPs. Fluorescence and optical absorption experiments are then carried out after different heat treatment duration to investigate the influence of silver NPs on the optical properties of lead (Pb2+) by comparing with a glass sample without silver NPs. Optical absorption experiments show that a well-defined surface plasmon resonance (SPR) peak due to Ag NPs can be observed only for samples that were annealed for 36 hrs. Pb2+ fluorescence spectra reveal that the presence of silver NPs creates new emission centers for Pb2+ ions by altering their chemical environment. The second part of the work involves the use of samarium (a rare earth ion) as a dopant in lead and bismuth borate glasses. The concentration of samarium (Sm3+) is fixed and the base glass composition is varied. The goal is to investigate the compositional dependence of optical properties of samarium in the base glass (PbO/Bi2O3:B 2O3). Optical absorption spectra have been collected and the oscillator strength of each transition - including the hypersensitive - is obtained. The Optical absorption edge is found to shift toward lower energies with increasing PbO/Bi2O3 concentration. Both the oscillator strength and the peak position of the hypersensitive transition show significant variation with glass composition. Strong interaction between Sm3+ ions and Pb2+/Bi3+ ions can also be seen from the variations in the fluorescence emission properties of Sm3+ as a function of base glass composition. Studying the variation of these optical properties will help to create the optimum rare-earth ion-host configuration for possible technological applications. This is the thrust of our future investigations of these glass systems. Keywords: Borate glasses, nanoparticles, fluorescence, transmission electron microscopy, optical absorption, surface plasmon resonance, rare-earth (RE) ions, oscillator strength, hypersensitive transition (HST).

Electrical and optical properties of nitrile rubber modified by ion implantation

NASA Astrophysics Data System (ADS)

S, Najidha; Predeep, P.

2014-10-01

Implantation of N+ ion beams are performed on to a non-conjugated elastomer, acrylonirtle butadiene rubber (NBR) with energy 60 keV in the fluence range of 1014 to 1016 ions/cm2. A decrease in the resistivity of the sample by about eight orders of magnitude is observed in the implanted samples along with color changes. The ion exposed specimens were characterized by means of UV/Vis spectroscopy which shows a shift in the absorption edge value for the as deposited polymer towards higher wavelengths. The band gap is evaluated from the absorption spectra and is found to decrease with increasing fluence. This study can possibly throw light on ion induced changes in the polymer surface.

A Novel and Functional Single-Layer Sheet of ZnSe

DOE PAGES

Zhou, Jia; Sumpter, Bobby G.; Kent, Paul R. C.; ...

2014-12-23

In this Communication, we report a novel singlelayer sheet of ZnSe, with a three-atomic thickness, which demonstrates a strong quantum confinement effect by exhibiting a large blue shift of 2.0 eV in its absorption edge relative to the zinc blende (ZB) bulk phase. Theoretical optical absorbance shows that the largest absorption of this ultrathin single-layer sheet of ZnSe occurs at a wavelength similar to its four-atom-thick doublelayer counterpart but with higher photoabsorption efficiency, suggesting a superior behavior on incident photon-to-current conversion efficiency for solar water splitting, among other potential applications. The results presented herein for ZnSe may be generalized tomore » other group II-VI analogues.« less

Effects of alkyl spacer group length on Vis-NIR absorption behavior in FTC-like guest-host EO polymers

NASA Astrophysics Data System (ADS)

Barto, Richard R., Jr.; Bedworth, Peter V.; Epstein, Joseph A.; Ermer, Susan P.; Taylor, Rebecca E.; Frank, Curtis W.

2003-07-01

Spectral absorption behavior of a series of FTC-like dyes of varying shape incorporated into amorphous polycarbonate (APC) is characterized by photothermal deflection spectroscopy. Previous Monte Carlo calculations by Dalton and Robinson predict a strong dependence of the macroscopic nonlinear optical susceptibility on the chromophore waist:length aspect ratio in electric field-poled films. This dependence arises from London interactions between chromophores, which are expected to influence the absorption characteristics of the composite both by changing the local polarity of the medium and through dipole interactions. It is expected that these interactions will play a role in the absorption characteristics of unpoled films as well. Of particular interest are the spectral characteristics of the red edge of the main dye electronic absorption peak, and the fine structure in the near-IR, dominated by overtones of fundamental C-H stretching and bending modes. The spectral structure in these key regions can be influenced by inter- and intramolecular interactions and conformational changes in the dye. The near-IR structure, in turn, will dictate absorption loss in optical devices prepared from these materials at key transmission wavelengths (1.3 and 1.55 um). In this study, a homologous series of spacer lengths, ranging from ethyl to hexyl, attached to an FTC-like NLO chromophore, LMCO-46M, is characterized by a combination of photothermal deflection spectroscopy (PDS) and UV-Vis spectroscopy to examine the effects of the molecular environment on near-IR loss at 1090 nm, 1300 nm and 1550 nm.

Optical Properties of the Organic Semiconductor Polyacetylene.

NASA Astrophysics Data System (ADS)

Feldblum, Avinoam Y.

Polyacetylene is the prototype conducting organic polymer. In its pristine form, it exhibits physical properties closely resembling those of a conventional inorganic semiconductor. When chemically or electrochemically doped, the polymer undergoes a semiconductor-metal transition. The nature of lightly doped polyacetylene, prior to the metallic transition, is not well understood. In addition, there still remain questions as to the nature of the pristine film itself. In this thesis, optical absorption experiments were performed in order to gain a clearer understanding of the electronic structure of polyacetylene. To attain this understanding, opto-electrochemical spectroscopy (OES), a new technique combining optical measurements with in situ electrochemical doping was developed. Optical absorption measurements were performed on cis-(CH)(,x) in order to examine doping induced isomerization. When doped to metallic levels followed by compensation or undoping, cis-(CH)(,x) isomerizes to trans-(CH)(,x). Using OES, one finds that with light doping, the main contribution to the midgap transition comes from the small trans content in the film. Electrochemical cycling shows isomerization beginning below y = 0.01 and repeated cycling to different concentrations indicate that the total isomerization depends on the value of the highest dopant level. These results suggest that upon light doping, the trans-(CH)(,x) dopes first, followed by enough cis-(CH)(,x) isomerizing to accomodate the injected charge. A quantitative study of the effects of doping on the absorption coefficient of trans-(CH)(,x) was carried out using OES. Upon doping, the interband absorption uniformly decreases over an extremely wide range. A strong absorbtion appeared at mid-gap; its oscillator strength increasing linearly with dopant concentration. A weak shoulder is observed on the interband edge which grows at low concentrations and then decreases to zero by 4%. These results agree with the predictions of the soliton model--the midgap absorption is identified as a soliton level and the shoulder as a transition between localized polaron levels. The pressure dependence of the photoabsorption of cis- and trans-(CH)(,x) has been measured. In both cases the bandedge shifted to a lower energy, and the value of the peak absorption coefficient decreased. These results suggest that the observed bandwidth is due primarily to the transverse transfer integral.

Optical properties of Ag- and AgI-doped Ge-Ga-Te far-infrared chalcogenide glasses

NASA Astrophysics Data System (ADS)

Cheng, Ci; Wang, Xunsi; Xu, Tiefeng; Sun, Lihong; Pan, Zhanghao; Liu, Shuo; Zhu, Qingde; Liao, Fangxing; Nie, Qiuhua; Dai, Shixun; Shen, Xiang; Zhang, Xianghua; Chen, Wei

2016-05-01

Te-based glasses are ideal material for life detection and infrared-sensing applications because of their excellent far-infrared properties. In this study, the influence of Ag- and AgI- doped Te-based glasses were discussed. Thermal and optical properties of the prepared glasses were evaluated using X-ray diffraction, differential scanning calorimetry, and Fourier transform infrared spectroscopy. Results show that these glass samples have good amorphous state and thermal stability. However, Ge-Ga-Te-Ag and Ge-Ga-Te-AgI glass systems exhibit completely different in optical properties. With an increase of Ag content, the absorption cut-off edge of Ge-Ga-Te-Ag glass system has a red shift. On the contrary, a blue shift appears in Ge-Ga-Te-AgI glass system with an increase of AgI content. Moreover, the transmittance of Ge-Ga-Te-Ag glass system deteriorates while that of Ge-Ga-Te-AgI glass system ameliorates. All glass samples have wide infrared transmission windows and the far-infrared cut-off wavelengths of these glasses are beyond 25 μm. The main absorption peaks of these glasses are eliminated through a purifying method.

Long-Lived Photoinduced Charge Separation in a Trinuclear Iron-μ 3 -oxo-based Metal–Organic Framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hanna, Lauren; Kucheryavy, Pavel; Liu, Cunming

2017-06-14

The presence of long-lived charge-separated excited states in metal-organic frameworks (MOFs) can enhance their photocatalytic activity by decreasing the probability that photogenerated electrons and holes recombine before accessing adsorbed reactants. Detecting these charge separated states via optical transient absorption, however, can be challenging when they lack definitive optical signatures. Here, we investigate the long-lived excited state of a MOF with such vague optical properties, MIL-100(Fe), comprised of Fe3-μ3-oxo clusters and trimesic acid linkers using Fe K-edge X-ray transient absorption (XTA) spectroscopy, to unambiguously determine its ligand-to-metal charge transfer character. Spectra measured at time delays up to 3.6 μs confirm themore » long lived nature of the charge separated excited state. Several trinuclear iron μ3- oxo carboxylate complexes, which model the trinuclear cores of the MOF structure, are measured for comparison using both steady state XAS and XTA to further support this assignment and corresponding decay time. The MOF is prepared as a colloidal nanoparticle suspension for these measurements so both its fabrication and particle size analysis are presented, as well.« less

Resonance shifting: A simple, all-optical method for circumventing the reabsorption problem in luminescent concentrators

NASA Astrophysics Data System (ADS)

Giebink, Noel; Wiederrecht, Gary; Wasielewski, Michael

2011-03-01

Luminescent concentrators (LSCs) were developed over three decades ago as a simple route to obtain high concentration ratio for photovoltaic cells without tracking the sun. In principle, high concentration ratios 100 are possible for commonly used chromophores. In practice, however, there is typically an overlap between the chromophore absorption and emission spectra that, although small, ultimately leads to unacceptable reabsorption losses, limiting the concentration ratio to ~ 10 and hence the utility of LSCs to date. We introduce a simple, all-optical means of avoiding reabsorption loss by ``resonance shifting'' from a bilayer cavity that consists of an absorber/emitter waveguide lying upon a low refractive index layer supported by a transparent substrate. Emission is evanescently coupled into the substrate at sharply defined angles and hence, by varying the cavity thickness over the device area, the original absorption resonance can be avoided at each bounce, allowing for extremely low propagation loss to the substrate edges and hence an increase in the optical concentration ratio. We validate this concept for absorber/emitter layers composed of both a typical luminescent polymer and inorganic semiconductor nanocrystals, demonstrating near-lossless propagation in each case.

Device applications and structural and optical properties of Indigo - A biodegradable, low-cost organic semiconductor

NASA Astrophysics Data System (ADS)

Wang, Zhengjun; Pisane, Kelly L.; Sierros, Konstantinos; Seehra, Mohindar S.; Korakakis, Dimitris

2015-03-01

Currently, memory devices based on organic materials are attracting great attention due to their simplicity in device structure, mechanical flexibility, potential for scalability, low-cost potential, low-power operation, and large capacity for data storage. In a recent paper from our group, Indigo-based nonvolatile organic write-once-read-many-times (WORM) memory device, consisting of a 100nm layer of indigo sandwiched between an indium tin oxide (ITO) cathode and an Al anode, has been reported. This device is found to be at its low resistance state (ON state) and can be switched to high resistance state (OFF state) by applying a positive bias with ON/OFF current ratio of the device being up to 1.02 × e6. A summary of these results along with the structural and optical properties of indigo powder will be reported. Analysis of x-ray diffraction shows a monoclinic structure with lattice parameters a(b)[c] = 0.924(0.577)[0.1222]nm and β =117° . Optical absorption shows a band edge at 1.70 eV with peak of absorption occurring at 1.90 eV. These results will be interpreted in terms of the HOMO-LUMO bands of Indigo.

Spectroscopic properties of Er3+-doped fluorotellurite glasses containing various modifiers

NASA Astrophysics Data System (ADS)

Burtan-Gwizdała, Bożena; Reben, Manuela; Cisowski, Jan; Grelowska, Iwona; Yousef, El Sayed; Algarni, Hamed; Lisiecki, Radosław; Nosidlak, Natalia

2017-11-01

We have investigated the optical and spectroscopic properties of new Er3+-doped fluorotellurite glasses with the basic molar composition 75%TeO2-10%P2O5-10%ZnO-5%PbF2, modified by replacing 5%TeO2 by four various metal oxides, namely MgO, PbO, SrO and CdO. The ellipsometric data have provided a Sellmeier-type dispersion relation of the refractive index of the investigated glasses. The optical absorption edge has been described within the Urbach approach, while the absorption and fluorescence spectra have been analyzed in terms of the standard Judd-Ofelt theory along with the photoluminescence decay of the 4I13/2 and 4S3/2 levels of the Er3+ ion. The absorption and emission spectra of the 4I15/2 ↔ 4I13/2 infrared transition have been analyzed within the McCumber theory to yield the peak emission cross-section and figure of merit (FOM) for the amplifier gain. It appears that the glass containing MgO as a modifier is characterized by the largest FOM suggesting that the fluorotellurite matrix with this oxide can be a good novel host for Er3+ ion doping. Finally, we propose a new simple method to calculate the mean transition energy of the McCumber approach as the arithmetic average of the barycenter wavenumbers of absorption and emission spectra.

Intrinsic defect oriented visible region absorption in zinc oxide films

NASA Astrophysics Data System (ADS)

Rakhesh, V.; Shankar, Balakrishnan

2018-05-01

Zinc Oxide films were deposited on the glass substrate using vacuum arc sputtering technology. Films were prepared in oxygen ambience for 10mA and 15 mA deposition current separately. The UV-Visible spectroscopy of the samples showed that both samples possess sharp absorption near 3.5eV which is the characteristic band gap absorption energy of ZnO films. The absorption coefficient were calculated for the samples and the (αℎϑ)2 vs energy plot is drawn. The plot suggested that in addition to the sharp band edge absorption, the sample prepared at 10mA deposition current showed sharp absorption edge near 1.51eV and that at 15 mA showed absorption edge near 1.47eV. This refers to the presence of an intrinsic defect level which is likely to be deep in the band gap.

Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene/Guanine Interface - A Proposal for High Mobility, Organic Graphene Field Effect Transistors

DTIC Science & Technology

2015-07-01

AFRL-AFOSR-UK-TR-2015-0034 Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene /Guanine...Interface – A Proposal for High Mobility, Organic Graphene Field Effect Transistors Eva Campo BANGOR UNIVERSITY COLLEGE ROAD BANGOR...April 2015 4. TITLE AND SUBTITLE Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene /Guanine Interface - A

Emission properties of Ce-doped alkaline earth borate glasses for scintillator applications

NASA Astrophysics Data System (ADS)

Torimoto, Aya; Masai, Hirokazu; Okada, Go; Kawaguchi, Noriaki; Yanagida, Takayuki

2017-11-01

We investigate the photoluminescence (PL) and X-ray-induced luminescence properties of 0.1 mol% Ce-doped MO-B2O3 (M = Ca, Sr, and Ba) glasses. We also determine the Ce3+/(Ce3++Ce4+) ratio by X-ray absorption near-edge structure analyses. The emission intensities of PL, X-ray scintillation, and thermally stimulated luminescence (TSL) depend on the host glass composition. The order of the PL intensity from highest to lowest is as follows: Ca-substituted glass, Ba-substituted glass, and Sr-substituted glass. Our results suggest that the optical absorption edge and quantum yield (QY) are influenced by the local coordination state of Ce3+, which, in turn, is likely to be affected by the optical basicity. The order of the X-ray scintillation intensity from highest to lowest is reverse of that of the PL intensity. This is probably because the interaction probability of X-rays with matter depends on the effective atomic number of the material and the effective atomic number has a stronger influence on the scintillation intensity than does the QY. Though the TSL glow curves reveal that the density and energy depth of the trap sites depend on the substituted alkaline earth oxides, we are unable to correlate the electron spin resonance (ESR) spectra with the TSL results. Therefore, it is considered that the ESR active sites are not responsible for the TSL in these systems.

Vibrational relaxation of hot carriers in C60 molecule

NASA Astrophysics Data System (ADS)

Madjet, Mohamed; Chakraborty, Himadri

2017-04-01

Electron-phonon coupling in molecular systems is at the heart of several important physical phenomena, including the mobility of carriers in organic electronic devices. Following the optical absorption, the vibrational relaxation of excited (hot) electrons and holes to the fullerene band-edges driven by electron-phonon coupling, known as the hot carrier thermalization process, is of particular fundamental interest. Using the non-adiabatic molecular dynamical methodology (PYXAID + Quantum Espresso) based on density functional approach, we have performed a simulation of vibrionic relaxations of hot carriers in C60. Time-dependent population decays and transfers in the femtosecond scale from various excited states to the states at the band-edge are calculated to study the details of this relaxation process. This work was supported by the U.S. National Science Foundation.

Full-Field Calcium K-Edge X-ray Absorption Near-Edge Structure Spectroscopy on Cortical Bone at the Micron-Scale: Polarization Effects Reveal Mineral Orientation.

PubMed

Hesse, Bernhard; Salome, Murielle; Castillo-Michel, Hiram; Cotte, Marine; Fayard, Barbara; Sahle, Christoph J; De Nolf, Wout; Hradilova, Jana; Masic, Admir; Kanngießer, Birgit; Bohner, Marc; Varga, Peter; Raum, Kay; Schrof, Susanne

2016-04-05

Here, we show results on X-ray absorption near edge structure spectroscopy in both transmission and X-ray fluorescence full-field mode (FF-XANES) at the calcium K-edge on human bone tissue in healthy and diseased conditions and for different tissue maturation stages. We observe that the dominating spectral differences originating from different tissue regions, which are well pronounced in the white line and postedge structures are associated with polarization effects. These polarization effects dominate the spectral variance and must be well understood and modeled before analyzing the very subtle spectral variations related to the bone tissue variations itself. However, these modulations in the fine structure of the spectra can potentially be of high interest to quantify orientations of the apatite crystals in highly structured tissue matrices such as bone. Due to the extremely short wavelengths of X-rays, FF-XANES overcomes the limited spatial resolution of other optical and spectroscopic techniques exploiting visible light. Since the field of view in FF-XANES is rather large the acquisition times for analyzing the same region are short compared to, for example, X-ray diffraction techniques. Our results on the angular absorption dependence were verified by both site-matched polarized Raman spectroscopy, which has been shown to be sensitive to the orientation of bone building blocks and by mathematical simulations of the angular absorbance dependence. As an outlook we further demonstrate the polarization based assessment of calcium-containing crystal orientation and specification of calcium in a beta-tricalcium phosphate (β-Ca3(PO4)2 scaffold implanted into ovine bone. Regarding the use of XANES to assess chemical properties of Ca in human bone tissue our data suggest that neither the anatomical site (tibia vs jaw) nor pathology (healthy vs necrotic jaw bone tissue) affected the averaged spectral shape of the XANES spectra.

Induced changes in refractive index, optical band gap, and absorption edge of polycarbonate-SiO2 thin films by Vis-IR lasers

NASA Astrophysics Data System (ADS)

Ehsani, Hassan; Akhoondi, Somaieh

2016-09-01

In this experimental work, we have studied induced changes in refractive index, extinction coefficient, and optical band-gap of Bisphenol-A-polycarbonate (BPA-PC) coated with a uniform and thin, anti-scratch SiO2 film irradiated by visible to near-infrared lasers at 532 nm (green),650 nm(red), and 980 nm (IR)wavelength lasers with different energy densities. Our lasers sources are indium-gallium-aluminum-phosphide, second harmonic of neodymium-YAG-solid state lasers and gallium-aluminum-arsenide-semiconductor laser. The energy densities of our sources have been changed by changing the spot size of incident laser. samples transmission spectra were monitored by carry500 spectrophotometer and induced changes in optical properties are evaluated by using, extrapolation of the transmission spectrum through Swanepoel method and computer application

AB INITIO STUDY OF OPTOELECTRONIC PROPERTIES OF SPINEL ZnAl2O4 BEYOND GGA AND LDA

NASA Astrophysics Data System (ADS)

Yousaf, Masood; Saeed, M. A.; Isa, Ahmad Radzi Mat; Rahnamaye Aliabad, H. A.; Noor, N. A.

2012-12-01

Electronic band structure and optical parameters of ZnAl2O4 are investigated by first-principles technique based on a new potential approximation, known as modified Becke-Johnson (mBJ). This method describes the excited states of insulators and semiconductors more accurately The recent direct band gap result by EV-GGA is underestimated by about 15% compared to our band gap value using mBJ-GGA. The value of the band gap of ZnAl2O4 decreases as follows: Eg(mBJ-GGA/LDA) > Eg(GGA) > Eg(LDA). The band structure base optical parametric quantities (dielectric constant, index of refraction, reflectivity and optical conductivity) are also calculated, and their variations with energy range are discussed. The first critical point (optical absorption's edge) in ZnAl2O4 occurs at about 5.26 eV in case of mBJ. This study about the optoelectronic properties indicates that ZnAl2O4 can be used in optical devices.

Optical absorption of carbon-gold core-shell nanoparticles

NASA Astrophysics Data System (ADS)

Wang, Zhaolong; Quan, Xiaojun; Zhang, Zhuomin; Cheng, Ping

2018-01-01

In order to enhance the solar thermal energy conversion efficiency, we propose to use carbon-gold core-shell nanoparticles dispersed in liquid water. This work demonstrates theoretically that an absorbing carbon (C) core enclosed in a plasmonic gold (Au) nanoshell can enhance the absorption peak while broadening the absorption band; giving rise to a much higher solar absorption than most previously studied core-shell combinations. The exact Mie solution is used to evaluate the absorption efficiency factor of spherical nanoparticles in the wavelength region from 300 nm to 1100 nm as well as the electric field and power dissipation profiles inside the nanoparticles at specified wavelengths (mostly at the localized surface plasmon resonance wavelength). The field enhancement by the localized plasmons at the gold surfaces boosts the absorption of the carbon particle, resulting in a redshift of the absorption peak with increased peak height and bandwidth. In addition to spherical nanoparticles, we use the finite-difference time-domain method to calculate the absorption of cubic core-shell nanoparticles. Even stronger enhancement can be achieved with cubic C-Au core-shell structures due to the localized plasmonic resonances at the sharp edges of the Au shell. The solar absorption efficiency factor can exceed 1.5 in the spherical case and reach 2.3 in the cubic case with a shell thickness of 10 nm. Such broadband absorption enhancement is in great demand for solar thermal applications including steam generation.

Two-dimensional simulation of GaAsSb/GaAs quantum dot solar cells

NASA Astrophysics Data System (ADS)

Kunrugsa, Maetee

2018-06-01

Two-dimensional (2D) simulation of GaAsSb/GaAs quantum dot (QD) solar cells is presented. The effects of As mole fraction in GaAsSb QDs on the performance of the solar cell are investigated. The solar cell is designed as a p-i-n GaAs structure where a single layer of GaAsSb QDs is introduced into the intrinsic region. The current density–voltage characteristics of QD solar cells are derived from Poisson’s equation, continuity equations, and the drift-diffusion transport equations, which are numerically solved by a finite element method. Furthermore, the transition energy of a single GaAsSb QD and its corresponding wavelength for each As mole fraction are calculated by a six-band k · p model to validate the position of the absorption edge in the external quantum efficiency curve. A GaAsSb/GaAs QD solar cell with an As mole fraction of 0.4 provides the best power conversion efficiency. The overlap between electron and hole wave functions becomes larger as the As mole fraction increases, leading to a higher optical absorption probability which is confirmed by the enhanced photogeneration rates within and around the QDs. However, further increasing the As mole fraction results in a reduction in the efficiency because the absorption edge moves towards shorter wavelengths, lowering the short-circuit current density. The influences of the QD size and density on the efficiency are also examined. For the GaAsSb/GaAs QD solar cell with an As mole fraction of 0.4, the efficiency can be improved to 26.2% by utilizing the optimum QD size and density. A decrease in the efficiency is observed at high QD densities, which is attributed to the increased carrier recombination and strain-modified band structures affecting the absorption edges.

Photoacoustic spectral characterization of perfluorocarbon droplets

NASA Astrophysics Data System (ADS)

Strohm, Eric; Gorelikov, Ivan; Matsuura, Naomi; Kolios, Michael

2012-02-01

Perfluorocarbon droplets containing optical absorbing nanoparticles have been developed for use as theranostic agents (for both imaging and therapy) and as dual-mode contrast agents. Droplets can be used as photoacoustic contrast agents, vaporized via optical irradiation, then the resulting bubbles can be used as ultrasound imaging and therapeutic agents. The photoacoustic signals from micron-sized droplets containing silica coated gold nanospheres were measured using ultra-high frequencies (100-1000 MHz). The spectra of droplets embedded in a gelatin phantom were compared to a theoretical model which calculates the pressure wave from a spherical homogenous liquid undergoing thermoelastic expansion resulting from laser absorption. The location of the spectral features of the theoretical model and experimental spectra were in agreement after accounting for increases in the droplet sound speed with frequency. The agreement between experiment and model indicate that droplets (which have negligible optical absorption in the visible and infrared spectra by themselves) emitted pressure waves related to the droplet composition and size, and was independent of the physical characteristics of the optical absorbing nanoparticles. The diameter of individual droplets was calculated using three independent methods: the time domain photoacoustic signal, the time domain pulse echo ultrasound signal, and a fit to the photoacoustic model, then compared to the diameter as measured by optical microscopy. It was found the photoacoustic and ultrasound methods calculated diameters an average of 2.6% of each other, and 8.8% lower than that measured using optical microscopy. The discrepancy between the calculated diameters and the optical measurements may be due to the difficulty in resolving the droplet edges after being embedded in the translucent gelatin medium.

XAFS and XEOL of tetramesityldigermene - An electronic structure study of a heavy group 14 ethylene analogue

NASA Astrophysics Data System (ADS)

Ward, Matthew J.; Rupar, Paul A.; Murphy, Michael W.; Yiu, Yun-Mui; Baines, Kim M.; Sham, Tsun-Kong

2013-04-01

Digermene, the germanium analogue of ethylene, has a multiple bonding motif that differs greatly from that of alkenes and exhibits no pure σ or π type bonds. The electronic structure of digermenes is difficult to study experimentally due to their reactivity, and is computationally challenging because of their shallow potential energy surfaces. Using X-ray absorption near edge structures at both the germanium K and L edges we have been able to directly probe the unoccupied electronic states, or the lowest unoccupied molecular orbital (LUMO), and LUMO+ etc. in the Ge=Ge bond of tetramesityldigermene. We have demonstrated that the LUMO, LUMO+, etc. are composed of hybrid Ge 4s and 4p orbitals. Additionally, our data suggest that the LUMO exhibits relatively more Ge 4s character, whereas the LUMO+ and LUMO+2 exhibit relatively more Ge 4p character. An X-ray excited optical luminescence study of Ge2Mes4 revealed one broad optical emission band at 620 nm, which is significantly red shifted compared to the known energy gap of this molecular germanium compound.

Single-layer ZnMN2 (M = Si, Ge, Sn) zinc nitrides as promising photocatalysts.

PubMed

Bai, Yujie; Luo, Gaixia; Meng, Lijuan; Zhang, Qinfang; Xu, Ning; Zhang, Haiyang; Wu, Xiuqiang; Kong, Fanjie; Wang, Baolin

2018-05-30

Searching for two-dimensional semiconductor materials that are suitable for visible-light photocatalytic water splitting provides a sustainable solution to deal with the future energy crisis and environmental problems. Herein, based on first-principles calculations, single-layer ZnMN2 (M = Si, Ge, Sn) zinc nitrides are proposed as efficient photocatalysts for water splitting. Stability analyses show that the single-layer ZnMN2 zinc nitrides exhibit energetic and dynamical stability. The electronic properties reveal that all of the single-layer ZnMN2 zinc nitrides are semiconductors. Interestingly, single-layer ZnSnN2 is a direct band gap semiconductor with a desirable band gap (1.74 eV), and the optical adsorption spectrum confirms its optical absorption in the visible light region. The hydrogen evolution reaction (HER) calculations show that the catalytic activity for single-layer ZnMN2 (M = Ge, Sn) is better than that of single-layer ZnSiN2. Furthermore, the band gaps and band edge positions for the single-layer ZnMN2 zinc nitrides can be effectively tuned by biaxial strain. Especially, single-layer ZnGeN2 can be effectively tuned to match better with the redox potentials of water and enhance the light absorption in the visible light region at a tensile strain of 5%, which is confirmed by the corresponding optical absorption spectrum. Our results provide guidance for experimental synthesis efforts and future searches for single-layer materials suitable for photocatalytic water splitting.

Ultrasound-assisted fabrication of nanoporous CdS films.

PubMed

Singh, R S; Sanagapalli, S; Jayaraman, V; Singh, V P

2004-01-01

A new method for fabricating nanoporous CdS films is reported. It involves exposing the CdS solution with ultrasound waves during the process of dip coating. Indium tin oxide (ITO)-coated glass and plastic (commercial transparency) were used as substrates. In each case three different precursors were used for dip coating. The precursors used were CdCl2 and thiourea in one case and CdS nanoparticles prepared by sonochemical and microwave-assisted methods in the other two cases. X-ray diffraction studies performed on these powders show a phase corresponding to cubic CdS. The Field Emission Scanning Electron Microscopy (FE-SEM) images of the films on plastic showed uniform pores with a diameter of 80 nm for all three methods. Optical absorption measurements indicated a blue shift and multiple peaks in the absorption curve. The FE-SEM observations of the films on an ITO/glass substrate indicated a crystalline film with voids. The UV-vis absorption results indicated a blue shift in the absorption with an absorption edge at 435, 380, and 365 nm for CdS films made by solution growth, sonochemical, and microwave routes, respectively. The magnitude of the absorption is dependent on film thickness, and the observed blue shift in the absorption can be explained on the basis of quantum confinement effects.

Electrical and optical properties of nitrile rubber modified by ion implantation

DOE Office of Scientific and Technical Information (OSTI.GOV)

S, Najidha; Predeep, P.

2014-10-15

Implantation of N{sup +} ion beams are performed on to a non-conjugated elastomer, acrylonirtle butadiene rubber (NBR) with energy 60 keV in the fluence range of 10{sup 14} to 10{sup 16} ions/cm{sup 2}. A decrease in the resistivity of the sample by about eight orders of magnitude is observed in the implanted samples along with color changes. The ion exposed specimens were characterized by means of UV/Vis spectroscopy which shows a shift in the absorption edge value for the as deposited polymer towards higher wavelengths. The band gap is evaluated from the absorption spectra and is found to decrease withmore » increasing fluence. This study can possibly throw light on ion induced changes in the polymer surface.« less

Optical and photoconductivity spectra of novel Ag₂In₂SiS₆ and Ag₂In₂GeS₆ chalcogenide crystals.

PubMed

Chmiel, M; Piasecki, M; Myronchuk, G; Lakshminarayana, G; Reshak, Ali H; Parasyuk, O G; Kogut, Yu; Kityk, I V

2012-06-01

Complex spectral studies of near-band gap and photoconductive spectra for novel Ag(2)In(2)SiS(6) and Ag(2)In(2)GeS(6) single crystals are presented. The spectral dependences of photoconductivity clearly show an existence of spectral maxima within the 450 nm-540 nm and 780 nm-920 nm. The fundamental absorption edge is analyzed by Urbach rule. The origin of the spectral photoconductivity spectral maxima is discussed. Temperature dependences of the spectra were done. The obtained spectral features allow to propose the titled crystals as photosensors. An analysis of the absorption and photoconductivity spectra is given within a framework of oversimplified spectroscopic model of complex chalcogenide crystals. Copyright © 2012 Elsevier B.V. All rights reserved.

Deposition and characterization of B4C/CeO2 multilayers at 6.x nm extreme ultraviolet wavelengths

NASA Astrophysics Data System (ADS)

Sertsu, M. G.; Giglia, A.; Brose, S.; Park, D.; Wang, Z. S.; Mayer, J.; Juschkin, L.; Nicolosi, P.

2016-03-01

New multilayers of boron carbide/cerium dioxide (B4C/CeO2) combination on silicon (Si) substrate are manufactured to represent reflective-optics candidates for future lithography at 6.x nm wavelength. This is one of only a few attempts to make multilayers of this kind. Combination of several innovative experiments enables detailed study of optical properties, structural properties, and interface profiles of the multilayers in order to open up a room for further optimization of the manufacturing process. The interface profile is visualized by high-angle annular dark-field imaging which provides highly sensitive contrast to atomic number. Synchrotron based at-wavelength extreme ultraviolet (EUV) reflectance measurements near the boron (B) absorption edge allow derivation of optical parameters with high sensitivity to local atom interactions. X-ray reflectivity measurements at Cu-Kalpha (8 keV ) determine the period of multilayers with high in-depth resolution. By combining these measurements and choosing robust nonlinear curve fitting algorithms, accuracy of the results has been significantly improved. It also enables a comprehensive characterization of multilayers. Interface diffusion is determined to be a major cause for the low reflectivity performance. Optical constants of B4C and CeO2 layers are derived in EUV wavelengths. Besides, optical properties and asymmetric thicknesses of inter-diffusion layers (interlayers) in EUV wavelengths near the boron edge are determined. Finally, ideal reflectivity of the B4C/CeO2 combination is calculated by using optical constants derived from the proposed measurements in order to evaluate the potentiality of the design.

Correction of absorption-edge artifacts in polychromatic X-ray tomography in a scanning electron microscope for 3D microelectronics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Laloum, D., E-mail: david.laloum@cea.fr; CEA, LETI, MINATEC Campus, 17 rue des Martyrs, 38054 Grenoble Cedex 9; STMicroelectronics, 850 rue Jean Monnet, 38926 Crolles

2015-01-15

X-ray tomography is widely used in materials science. However, X-ray scanners are often based on polychromatic radiation that creates artifacts such as dark streaks. We show this artifact is not always due to beam hardening. It may appear when scanning samples with high-Z elements inside a low-Z matrix because of the high-Z element absorption edge: X-rays whose energy is above this edge are strongly absorbed, violating the exponential decay assumption for reconstruction algorithms and generating dark streaks. A method is proposed to limit the absorption edge effect and is applied on a microelectronic case to suppress dark streaks between interconnections.

Proceedings of the International Conference on Lasers 󈨜 Held in Lake Tahoe, Nevada on 4-9 December 1988.

DTIC Science & Technology

1989-01-01

1.40Mm, because the excited state absorption is at the edge of the gain transi- tion. There has been a recent interest in the heavy metal fluoride...Infrared Lasers 312 F. K. Kneubuhl, D. P. Scherrer and J. P. G. Arnesson (Plenary, Invited) Sealed All- Metal CO2 Laser Tube Technology 316 S. Byron and P...Keyes Establishing A Standard For Polarized Laser Light Scattering From Microbial Systems 663 W. P. Van De Merwe, D. R. Huffman and B. V. Bronk OPTICAL

Positronics of radiation-induced effects in chalcogenide glassy semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shpotyuk, O.; Kozyukhin, S. A., E-mail: sergkoz@igic.ras.ru; Shpotyuk, M.

2015-03-15

Using As{sub 2}S{sub 3} and AsS{sub 2} glasses as an example, the principal possibility of using positron annihilation spectroscopy methods for studying the evolution of the free volume of hollow nanoobjects in chalcogenide glassy semiconductors exposed to radiation is shown. The results obtained by measurements of the positron annihilation lifetime and Doppler broadening of the annihilation line in reverse chronological order are in full agreement with the optical spectroscopy data in the region of the fundamental absorption edge, being adequately described within coordination defect-formation and physical-aging models.

The Ion-Assisted Deposition of Optical Thin Films

DTIC Science & Technology

1988-01-01

nitrogen ions (Martin et al. 1984b). The substrates were maintained at room temperature or at 300 °C. Films were deposited of the characteristic gold color...band matches that reported by Hass et al. (1959) for CeF3 films, with aborption bands at 210 nm, 220 nm, 235 nm, and 250 nm 03 corresponding to...onset of aborption than LaF 3 . This could be due to the relatively short-wavelength absorption edge of La20 3 (300 nm) in comparison to NdF3 (400 nm

Topological Exciton Bands in Moire Heterojunctions.

DOE PAGES

Wu, Fengcheng; Lovorn, Timothy; MacDonald, A. H.

2017-04-05

Moire patterns are common in Van der Waals heterostructures and can be used to apply periodic potentials to elementary excitations. Here, we show that the optical absorption spectrum of transition metal dichalcogenide bilayers is profoundly altered by long period moire patterns that introduce twist-angle dependent satellite excitonic peaks. Topological exciton bands with non-zero Chern numbers that support chiral excitonic edge states can be engineered by combining three ingredients: i) the valley Berry phase induced by electron-hole exchange interactions, ii) the moire potential, and iii) the valley Zeeman field.

The THz time domain spectra of SrB4O7 crystal

NASA Astrophysics Data System (ADS)

Wang, Yali; Hou, Bihui; Wang, Haiyan; Zhao, Guozhong; Shi, Yishi

2010-11-01

SrB4O7 (SBO) is a promising nonlinear optical crystal. It has the orthorhombic structure with group classified as Pnm2. The sample for the experiment was cut along the (001) plane and twin polishing with 1.632mm thickness. It exhibits a wider transparency range from UV to far-IR. And its absorption edge lies at 160nm. The forbidden band gap is about 7.76eV. The THz spectra of SBO crystal had been studied from 0.1 to 2.5THz. The THz time domain spectrum of SBO shows the strong resonance characters. In THz experiment, the vertical incident electromagnetic waves radiate the polished side twice along (001) orientation. The crystal turned 90 degrees relative to the first in the vertical direction. There are different optical properties in two directions. We gained the curves of the refractive index and absorption coefficient dependence of frequency in the region of 0.1-2.5THz. The absorption curves shows opposite parabola character. One is upward opening and the largest absorption coefficient is 10cm-1. The other is down opening and the less absorption coefficient is 1cm-1. The refractive index n is stable linear with frequency and it is 3 from 0.4THz to 2.5THz. But the refractive index of two directions shows the opposite tendency from 0.1 to 0.4THz. The reason of the difference is that polarized beam radiates the orthorhombic crystal. The properties of the sample show that it is possible to apply it to laser field.

Photoabsorption study of Bacillus megaterium, DNA and Related Biological Materials in the Phosphorus K-edge Region

NASA Technical Reports Server (NTRS)

Frigo, Sean P.; McNulty,Ian; Richmond, Robert C.; Ehret, Charles F.

2003-01-01

We have measured the x-ray transmission spectra of several biologically related samples in the phosphorus K-edge absorption region. These include red phosphorus, hydrated sodium phosphate (Na3PO4 12 H2O), deoxyribonucleic acid (DNA), adenosinetriphosphate (ATP), diolylphosphatidyl choline (DOPC), and Bacillus megaterium spores. Red phosphorus essentially displays an edge-jump. All other spectra are similar in form and energy position, where each is dominated by a narrower, more intense first peak and a broader but less intense second peak. The corresponding K-edge absorption thresholds are shifted towards higher energy relative to that for red phosphorus, as expected for increasing degrees of phosphorus oxidation. The B.meguterium spectrum has aspects common to both the phosphate and DNA spectra and is therefore interpreted as a composite of spectra arising from DNA/RNA and phosphates within the spore. The B. megaterium spore spectrum provides needed information for resonant radiation damage studies in the phosphorus K-edge absorption region by identifying candidate photoexcitations. In addition, the absorption spectra will be useful in macromolecular crystallography studies employing anomalous dispersion effects at the phosphorus K-edge.

Photoabsorption Study of Bacillus megaterium, DNA and Related Biological Materials in the Phosphorus K-edge Region

NASA Technical Reports Server (NTRS)

Frigo, Sean P.; McNulty, Ian; Richmond, Robert C.; Ehret, Charles F.

2002-01-01

We have measured the x-ray transmission spectra of several biologically related samples in the phosphorus K-edge absorption region. These include elemental red phosphorus, hydrated sodium phosphate (Na3PO4.12H2O), deoxyribonucleic acid (DNA), adenosinetriphosphate (ATP), diolylphosphatidyl choline (DOPC), and Bacillus megaterium spores. Elemental red phosphorus essentially displays an edge-jump. All other spectra are similar in form and energy position. Each spectrum for these substances is dominated by a narrower, more intense first peak and a broader but less intense second peak. The corresponding K-edge absorption thresholds are shifted towards higher energy relative to that for elemental red phosphorus, as expected for increasing degrees of phosphorus oxidation. The B. megaterium spectrum has aspects common to both the phosphate and DNA spectra and is therefore interpreted as a composite of spectra arising from DNA/RNA and phosphates within the spore. The B. megaterium spore spectrum provides needed information for resonant radiation damage studies in the phosphorus K-edge absorption region by identifying candidate photoexcitations. In addition,the absorption spectra will be useful in macromolecular crystallography studies employing anomalous dispersion effects at the phosphorus K-edge.

Properties of CuInS₂ Nano-Particles on TiO₂ by Spray Pyrolysis for CuInS₂/TiO₂ Composite Solar Cell.

PubMed

Park, Gye-Choon; Li, Zhen-Yu; Yang, O-Bong

2017-04-01

In this letter, for the absorption layer of a CuInS₂/TiO₂ composite solar cell, I–III–VI2 chalcopyrite semiconductor CuInS₂ nano-particles were deposited by using spray pyrolysis method on TiO2 porous film. Their material characteristics including structural and optical properties of CuInS₂ nano-particles on TiO₂ nanorods were analyzed as a function of its composition ratios of Cu:In:S. Crystalline structure, surface morphology and crystalline size were also investigated by X-ray Diffraction (XRD), Field Emission Scanning Electron Microscope (FESEM), and High-Resolution TEM (HRTEM), respectively. On the other hand, optical property was characterized by an UV-Visible Spectrophotometer. As a result, it was found that the size of CuInS₂ nano-particles, which was formed at 300±5 °C, was smaller than 16 nm from HRTEM analyses, and it was identified that the CuInS₂ particle size was increased as increasing the heat-treatment temperature and time. However, as the size of CuInS₂ nano-particle becomes smaller, optical absorption edge of ternary compound film tends to move to the blue wavelength band. It turns out that the optical energy-band gap of the compound films was ranging from 1.48 eV to 1.53 eV.

Material/element-dependent fluorescence-yield modes on soft X-ray absorption spectroscopy of cathode materials for Li-ion batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Asakura, Daisuke; Hosono, Eiji; Nanba, Yusuke

2016-03-07

Here, we evaluate the utilities of fluorescence-yield (FY) modes in soft X-ray absorption spectroscopy (XAS) of several cathodematerials for Li-ion batteries. In the case of total-FY (TFY) XAS for LiNi 0.5Mn 1.5O 4, the line shape of the Mn L 3-edge XAS was largely distorted by the self-absorption and saturation effects, while the distortions were less pronounced at the Ni L 3 edge. The distortions were suppressed for the inverse-partial-FY (IPFY) spectra. We found that, in the cathodematerials, the IPFY XAS is highly effective for the Cr, Mn, and Fe L edges and the TFY and PFY modes are usefulmore » enough for the Ni L edge which is far from the O K edge.« less

Fluorescence and absorption spectroscopy for warm dense matter studies and ICF plasma diagnostics

NASA Astrophysics Data System (ADS)

Hansen, S. B.; Harding, E. C.; Knapp, P. F.; Gomez, M. R.; Nagayama, T.; Bailey, J. E.

2018-05-01

The burning core of an inertial confinement fusion (ICF) plasma produces bright x-rays at stagnation that can directly diagnose core conditions essential for comparison to simulations and understanding fusion yields. These x-rays also backlight the surrounding shell of warm, dense matter, whose properties are critical to understanding the efficacy of the inertial confinement and global morphology. We show that the absorption and fluorescence spectra of mid-Z impurities or dopants in the warm dense shell can reveal the optical depth, temperature, and density of the shell and help constrain models of warm, dense matter. This is illustrated by the example of a high-resolution spectrum collected from an ICF plasma with a beryllium shell containing native iron impurities. Analysis of the iron K-edge provides model-independent diagnostics of the shell density (2.3 × 1024 e/cm3) and temperature (10 eV), while a 12-eV red shift in Kβ and 5-eV blue shift in the K-edge discriminate among models of warm dense matter: Both shifts are well described by a self-consistent field model based on density functional theory but are not fully consistent with isolated-atom models using ad-hoc density effects.

The effect of thermal oxidation on the luminescence properties of nanostructured silicon.

PubMed

Liu, Lijia; Sham, Tsun-Kong

2012-08-06

Herein is reported a detailed study of the luminescence properties of nanostructured Si using X-ray excited optical luminescence (XEOL) in combination with X-ray absorption near-edge structures (XANES). P-type Si nanowires synthesized via electroless chemical etching from Si wafers of different doping levels and porous Si synthesized using electrochemical method are examined under X-ray excitation across the Si K-, L(3,2) -, and O K-edges. It is found that while as-prepared Si nanostructures are weak light emitters, intense visible luminescence is observed from thermally oxidized Si nanowires and porous Si. The luminescence mechanism of Si upon oxidation is investigated by oxidizing nanostructured Si at different temperatures. Interestingly, the two luminescence bands observed show different response with the variation of absorption coefficient upon Si and O core-electron excitation in elemental silicon and silicon oxide. A correlation between luminescence properties and electronic structures is thus established. The implications of the finding are discussed in terms of the behavior of the oxygen deficient center (OCD) and non-bridging oxygen hole center (NBOHC). Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photo-Darkening Kinetics and Structural Anisotropic Modifications in the Chalcogenide Glass Arsenic Trisulfide: a Study of Kinetic X-Ray Absorption Spectroscopy

NASA Astrophysics Data System (ADS)

Lee, Jay Min

1990-08-01

The purpose of the study is to investigate the mechanisms involved with photo-induced atomic structural modifications in the chalcogenide glass As_2 S_3. This glass exhibits the reversible effects of photo-darkening followed by thermal bleaching. We observed the time behavior of photo-induced properties under the influence of linearly polarized band -gap light. In a macroscopic optical investigation, we monitor optical changes in the photo-darkening process, and in a local structural probe we study kinetic (or time -resolved dispersive) x-ray absorption spectroscopy. Our observations center on kinetic phenomena and structural modifications induced by polarized excitation of lone-pair orbitals in the chalcogenide glass. Experimental results include the following observations: (i) The polarity of the optically induced anisotropy is critically dependent on the intensity and the polarization of the band-gap irradiation beam. (ii) The near edge peak height in x-ray absorption spectra shows subtle but sensitive change during the photo-darkening process. (iii) Photon intensity dependent dichroic kinetics reflect a connection between the optically probed macroscopic property and the x-ray probed local anisotropic structure. Analysis of the x-ray absorption results includes a computer simulation of the polarized absorption spectra. These results suggest that specific structural units tend to orient themselves with respect to the photon polarization. A substantial part of the analysis involves a major effort in dealing with the x-ray kinetic data manipulation and the experimental difficulties caused by a synchrotron instability problem. Based on our observations, we propose a possible mechanism for the observed photo-structural modifications. Through a model of computer relaxed photo-darkening kinetics, we support the notion that a twisting of a specific intermediate range order structure is responsible for local directional variations and global network distortions. In the course of this study, we refine knowledge of intermediate range order structural configurations and the bistabilities related to these configurations. The importance of the lone-pair orbital interactions in the chalcogenide glassy network is underscored.

Structural, thermal and optical absorption features of heavy metal oxides doped tellurite rich glasses

NASA Astrophysics Data System (ADS)

Kaky, Kawa M.; Lakshminarayana, G.; Baki, S. O.; Kityk, I. V.; Taufiq-Yap, Y. H.; Mahdi, M. A.

In order to improve tellurite glass stability to be applicable for optical fiber amplifier applications, glasses with the composition of (70 - x)TeO2. (10)ZnO. (10)WO3. (5)Na2O. (5)TiO2. (x)Bi2O3 (x = 1, 2, 3, 4, and 5 mol%) have been produced and characterized using the related methods. Structural properties were investigated using X-ray diffraction (XRD) which confirms the non-crystalline structure and scanning electron microscopy (SEM) micrographs also confirm the XRD results. The energy dispersive X-ray (EDX) analysis profiles show that all the mentioned elements are present in the prepared glasses. Following the IR spectra, all the tellurium bonds such as stretching vibrations of TeO4 tbp and TeO3/TeO3+1 unit are revealed. Raman spectra confirm the presence of different functional groups, actually, it shows bands mainly in four spectral regions: R1 (65-150) cm-1, R2 (280-550) cm-1, R3 (880-950) cm-1 and R4 (916-926) cm-1 and the identified bands are assigned to respective molecular groups. The thermal study was carried out using Differential scanning calorimetry (DSC) which indicates good thermal stability of the synthesized glasses with increasing Bi concentration. From the optical absorption spectra, we evaluated cut-off edge wavelengths and found increasing cutoff wavelength with an increase in Bi2O3 concentration. In the UV-Visible region, optical band gap energy and allowed transitions were investigated using three methods; direct, indirect, and absorption spectrum fitting (ASF), and band gaps from indirect and ASF were matched.

Nano-optical imaging of WS e 2 waveguide modes revealing light-exciton interactions

DOE PAGES

Fei, Z.; Scott, M. E.; Gosztola, D. J.; ...

2016-08-01

We report on a nano-optical imaging study of WSe 2 thin flakes with scanning near-field optical microscopy (NSOM). The NSOM technique allows us to visualize in real space various waveguide photon modes inside WSe 2. By tuning the excitation laser energy, we are able to map the entire dispersion of these waveguide modes both above and below the A exciton energy of WSe 2. We found that all the modes interact strongly with WSe 2 excitons. The outcome of the interaction is that the observed waveguide modes shift to higher momenta right below the A exciton energy. At higher energies,more » on the other hand, these modes are strongly damped due to adjacent B excitons or band-edge absorptions. Lastly, the mode-shifting phenomena are consistent with polariton formation in WSe 2.« less

Microstructure and optical properties of nanocrystalline Cu2O thin films prepared by electrodeposition.

PubMed

Jiang, Xishun; Zhang, Miao; Shi, Shiwei; He, Gang; Song, Xueping; Sun, Zhaoqi

2014-01-01

Cuprous oxide (Cu2O) thin films were prepared by using electrodeposition technique at different applied potentials (-0.1, -0.3, -0.5, -0.7, and -0.9 V) and were annealed in vacuum at a temperature of 100°C for 1 h. Microstructure and optical properties of these films have been investigated by X-ray diffractometer (XRD), field-emission scanning electron microscope (SEM), UV-visible (vis) spectrophotometer, and fluorescence spectrophotometer. The morphology of these films varies obviously at different applied potentials. Analyses from these characterizations have confirmed that these films are composed of regular, well-faceted, polyhedral crystallites. UV-vis absorption spectra measurements have shown apparent shift in optical band gap from 1.69 to 2.03 eV as the applied potential becomes more cathodic. The emission of FL spectra at 603 nm may be assigned as the near band-edge emission.

Shape and size dependent nonlinear refraction and absorption in citrate-stabilized, near-IR plasmonic silver nanopyramids.

PubMed

Dadhich, Bhavesh Kumar; Kumar, Indrajit; Choubey, Ravi Kant; Bhushan, Bhavya; Priyam, Amiya

2017-10-11

Using a combination of a mild stabilizer and a mild reductant, sodium citrate and hydrazine hydrate, anisotropic silver nanocrystals (NCs) were synthesized with tunable plasmon peaks at 550 nm, 700 nm, 800 nm, 900 nm and 1010 nm (the samples are named Ag-550, Ag-700, Ag-800, Ag-900 and Ag-1010, respectively). TEM investigations revealed that Ag-550 NCs were pentagonal nanoplates while the other four samples were nanopyramids with a pentagonal base with the edge length varying between 15 and 30 nm. The non-linear optical (NLO) properties of these NCs were studied by the Z-scan technique using the CW He-Ne laser (632.8 nm, 15 mW). The shape change from 2D nanoplates (Ag-550) to 3D nanopyramids (Ag-700) resulted in sign reversal of the non-linear refractive index, n 2 , from a negative (-3.164 × 10 -8 cm 2 W -1 ) to a positive one (1.195 × 10 -8 cm 2 W -1 ). This corresponds to a change from a self-defocussing effect to a self-focussing one. Besides shape, the size effect is also prominently observed. Amongst nanopyramids, as the edge length increases, n 2 increases linearly and reaches a maximum of 3.124 × 10 -8 cm 2 W -1 . Doubling the edge length from 15 nm to 30 nm resulted in 162% increase in n 2 . On moving from Ag-550 to Ag-900 NCs, with the increasing plasmon wavelength, the non-linear absorption (NLA) coefficient increased exponentially to a high value of 8.52 × 10 -4 cm W -1 . However, Ag-1010 showed 29% decrease in NLA which is attributed to twinning present in the crystal structure as seen in the HR-TEM images. Due to the tunable NLO properties, these anisotropic Ag NCs hold great potential for applications in optical limiting, switching and data storage.

An Extended Multi-Zone Model for the MCG-6-30-15 Warm Absorber

NASA Technical Reports Server (NTRS)

Morales, R.; Fabian, A. C.; Reynolds, C. S.

2000-01-01

The variable warm absorber seen with ASCA in the X-ray spectrum of MCG 6-30-15 shows complex time behaviour in which the optical depth of O VIII anticorrelates with the flux whereas that of O VII is unchanging. The explanation in terms of a two zone absorber has since been challenged by BeppoSAX observations. These present a more complicated behaviour for the O VII edge. The explanation we offer for both ASCA and BeppoSAX observations requires a very simple photoionization model together with the presence of a third, intermediate, zone and a period of very low luminosity. In practice warm absorbers are likely to be extended, multi-zone regions of which only part causes directly observable absorption edges at any given time depending on the value of the luminosity.

Transition metal atomic multiplets in the ligand K-edge x-ray absorption spectra and multiple oxidation states in the L2,3 emission of strongly correlated compounds

NASA Astrophysics Data System (ADS)

Jiménez-Mier, J.; Olalde-Velasco, P.; Yang, W.-L.; Denlinger, J.

2014-07-01

We present results that show that atomic multiplet ligand field calculations are in very good agreement with experimental x-ray absorption spectra at the L2,3 edge of transition metal (TM) di-fluorides (MF2, MCrCu). For chromium more than one TM oxidation state is needed to achieve such an agreement. We also show that signature of the TM atomic multiplet can be found at the pre-edge of the fluorine K-edge x-ray absorption spectra. TM atomic multiplet ligand field calculations with a structureless core hole show good agreement with the observed pre-edges in the experimental fluorine absorption spectra. Preliminary results for the comparison between calculated and experimental resonant x-ray emission spectra for nominal CrF2 with more than one oxidation state indicate the presence of three chromium oxidation states in the bulk.

Optical waveguide and room temperature high-quality nanolasers from tin-catalyzed CdSSe nanostructures

NASA Astrophysics Data System (ADS)

Guo, Pengfei; Shen, Xia; Zhang, Baolong; Sun, Haibin; Zou, Zhijun; Yang, Wenchao; Gong, Ke; Luo, Yongsong

2018-05-01

A simple two-step CVD method is developed to realize the growth of high-quality tin-catalyzed CdSSe alloy nanowires. Microstructural characterizations demonstrate that these wires are high-quality crystalline nanostructures. Local photoluminescence investigation of these nanostructures shows a typical band edge emission at 656 nm with a full-width at half-maximum of 22.3 nm. Optical waveguide measurement along an individual nanowire indicates that the output signal of the guided light has a rapid linear decrease accompanied with maximum red-shift about 109 meV after the transmission of 102 μm. This obvious red-shift is caused by the intensive band-tail absorption during the optical transmission process. Moreover, optically pumped nanolasers are successfully realized at room temperature based on these unique wires, further demonstrating the achievement of stimulated emission from spontaneous emission, promoted by the pump power intensity. This work may find a simple route to the manufacture of superior nanowires for applications in waveguide and integrated photonic devices.

Optical characterization of sputtered YBaCo 4O 7+ δ thin films

NASA Astrophysics Data System (ADS)

Montoya, J. F.; Izquierdo, J. L.; Causado, J. D.; Bastidas, A.; Nisperuza, D.; Gómez, A.; Arnache, O.; Osorio, J.; Marín, J.; Paucar, C.; Morán, O.

2011-02-01

Thin films of YBaCo 4O 7+ δ were deposited on r (1012)-oriented Al 2O 3 substrates by dc magnetron sputtering. The as-grown films were characterized after their structural, morphological and optical properties. Special attention is devoted to the analysis of the optical response of these films as reports on optical properties of YBaCo 4O 7+ δ, especially in thin film form, are not frequently reported in the literature. Transmittance/absorbance measurements allow for determining two well defined energy gaps at 3.7 and 2.2 eV. In turn, infrared (IR) measurements show infrared transparency in the wave length range 4000-2500 nm with a sharp absorption edge at wave lengths less than 2500 nm. Complementary Raman spectra measurements on the thin films allowed for identifying bands associated with vibrating modes of CoO 4 and YO 6 in tetrahedral and octahedral oxygen coordination, respectively. Additional bands which seemed to stem from Co ions in octahedral oxygen coordination were also clearly identified.

Optical waveguide and room temperature high-quality nanolasers from tin-catalyzed CdSSe nanostructures.

PubMed

Guo, Pengfei; Shen, Xia; Zhang, Baolong; Sun, Haibin; Zou, Zhijun; Yang, Wenchao; Gong, Ke; Luo, Yongsong

2018-05-04

A simple two-step CVD method is developed to realize the growth of high-quality tin-catalyzed CdSSe alloy nanowires. Microstructural characterizations demonstrate that these wires are high-quality crystalline nanostructures. Local photoluminescence investigation of these nanostructures shows a typical band edge emission at 656 nm with a full-width at half-maximum of 22.3 nm. Optical waveguide measurement along an individual nanowire indicates that the output signal of the guided light has a rapid linear decrease accompanied with maximum red-shift about 109 meV after the transmission of 102 μm. This obvious red-shift is caused by the intensive band-tail absorption during the optical transmission process. Moreover, optically pumped nanolasers are successfully realized at room temperature based on these unique wires, further demonstrating the achievement of stimulated emission from spontaneous emission, promoted by the pump power intensity. This work may find a simple route to the manufacture of superior nanowires for applications in waveguide and integrated photonic devices.

Optical and magneto-optical properties of Co-doped CeO{sub 2−δ} films in the 0.5 to 4 eV range

DOE Office of Scientific and Technical Information (OSTI.GOV)

Veis, M., E-mail: veis@karlov.mff.cuni.cz; Kucera, M.; Zahradnik, M.

2014-05-07

Magnetically doped Ce{sub 1−x}Co{sub x}O{sub 2−δ} (nominal x = 0.05 and 0.10) films were systematically studied by spectroscopic ellipsometry and magneto-optical spectroscopy. The samples were prepared by pulsed laser deposition on MgO(100) substrates and grew as textured polycrystalline films with thickness between 200 and 750 nm. They exhibited room temperature ferromagnetism and an out-of-plane easy axis attributed to magnetoelastic effects from the in-plane compressive strain. The dispersion of dielectric function of Ce{sub 1−x}Co{sub x}O{sub 2−δ} films was parametrized by the sum of Tauc-Lorentz and damped Lorentz oscillators and adjusted numerically. Deduced optical band gaps were similar to those of pure CeO{sub 2}, butmore » the Co doping increased the optical absorption. The magneto-optical spectroscopy was carried out in both Faraday and Kerr configurations in the photon energy range from 0.5 to 4 eV, showing a strong dependence of the magneto-optical effect on the Co content near the optical band edge.« less

Ultraviolet detection using TiO2 nanowire array with Ag Schottky contact

NASA Astrophysics Data System (ADS)

Chinnamuthu, P.; Dhar, J. C.; Mondal, A.; Bhattacharyya, A.; Singh, N. K.

2012-04-01

The glancing angle deposition technique has been employed to synthesize TiO2 nanowire (NW) arrays which have been characterized by x-ray diffraction, field emission-scanning electron microscopy and high resolution transmission electron microscopy. Optical absorption measurements show the absorption edge at 3.42 eV and 3.48 eV for TiO2 thin film (TF) and NW, respectively. The blue shift in absorption band is attributed to quantum confinement in NW structures. Photoluminescence measurement revealed oxygen-defect-related emission at 425 nm (˜2.9 eV). Ag/TiO2 (NW) and Ag/TiO2 (TF) contacts exhibit Schottky behaviour, and a higher turn-on voltage (˜6.5 V) was observed for NW devices than that of TF devices (˜5.25 V) under dark condition. In addition, TiO2-NW-based devices show twofold improvement in photodetection efficiency in the UV region, compared with TiO2-TF-based devices.

Absorption edge parameters of the LIII edge for compounds of Hg, Tl, Pb and Bi using EDXRF technique

NASA Astrophysics Data System (ADS)

Singh, Gurinderjeet; Singh, Amrit; Gupta, Manoj Kumar; Dhaliwal, A. S.; Kahlon, K. S.

2018-03-01

The measurement of Absorption edge parameters of the LIII edge of pure elements Hg, Tl, Pb and Bi along with their compounds HgCl2, HgO, HgF2, TlCl, Tl2O3, PbCl2, PbF2, Pb3O4, BiF3, BiCl3 and Bi2O3 has been done using EDXRF technique. In the present measurements 241Am (59.54 keV) radioactive source of activity 100 mCi along with CANBERRA make cryo-cooled Si (Li) detector is used. The measured results are compared with theoretically calculated values from FFAST version 2.1 (Chantler et al., 2005) and shows good agreement with each other within experimental uncertainties within 3.5%. It is observed that the values of absorption edge parameters of the LIII edge depends slightly on the chemical environment and shows almost constant behaviour with effective atomic number (Zeff)

X-ray absorption near-edge spectroscopy in bioinorganic chemistry: Application to M–O2 systems

PubMed Central

Sarangi, Ritimukta

2012-01-01

Metal K-edge X-ray absorption spectroscopy (XAS) has been extensively applied to bioinorganic chemistry to obtain geometric structure information on metalloprotein and biomimetic model complex active sites by analyzing the higher energy extended X-ray absorption fine structure (EXAFS) region of the spectrum. In recent years, focus has been on developing methodologies to interpret the lower energy K-pre-edge and rising-edge regions (XANES) and using it for electronic structure determination in complex bioinorganic systems. In this review, the evolution and progress of 3d-transition metal K-pre-edge and rising-edge methodology development is presented with particular focus on applications to bioinorganic systems. Applications to biomimetic transition metal–O2 intermediates (M = Fe, Co, Ni and Cu) are reviewed, which demonstrate the power of the method as an electronic structure determination technique and its impact in understanding the role of supporting ligands in tuning the electronic configuration of transition metal–O2 systems. PMID:23525635

Studies of Luminescence Performance on Carbazole Donor and Quinoline Acceptor Based Conjugated Polymer.

PubMed

Upadhyay, Anjali; S, Karpagam

2016-03-01

We report on the synthesis of conjugated polymer (CV-QP) containing carbazole (donor) and quinoline (acceptor) using Wittig methodology. The structural, optical and thermal properties of the polymer were investigated by FT-IR, NMR, GPC, UV, PL, cyclic voltammetry, atomic force microscopy (AFM) and thermogravimetric analysis (TGA). The polymer exhibits thermal stability upto 200 °C and shows good solubility in common organic solvents. The polymer has optical absorption band in a thin film at 360 nm and emission band formed at 473 nm. The optical energy band gap was found to be 2.69 eV as calculated from the onset absorption edge. Fluorescence quenching of the polymer CV-QP was found by using DMA (electron donor) and DMTP (electron acceptor). AFM image indicated that triangular shaped particles were observed and the particle size was found as 1.1 μm. The electrochemical studies of CV-QP reveal that, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of the CV-QP are 6.35 and 3.70 eV, which indicated that the polymers are expected to provide charge transporting properties for the development of polymer light-emitting diodes (PLEDs).

Photoresponse and DFT studies of new synthesized 2-benzylidene-3-hydroxy -1-(5,6-diphenyl-1,2,4-triazine-3-yl)hydrazine and optical sensor application

NASA Astrophysics Data System (ADS)

Taha, A.; Farag, A. A. M.; Adly, O. M. I.; Roushdy, N.; Shebl, Magdy; Ahmed, H. M.

2017-08-01

A newly Schiff base,2-benzylidene-3-hydroxy-1-(5,6-diphenyl-1,2,4-triazine-3-yl)hydrazine] (HBDHT) was synthesized and characterized on the basis of micro-analytical and spectroscopic studies. Basic parameters of the combined compound HBDHT were ascertained on the premise of DFT level actualized on Gaussian 09. Thin films of HBDHT were successfully prepared by spin coating technique and confirmed by atomic force microscopy (AFM). The optical attributes of the studied films were considered utilizing spectrophotometric estimations in a wide spectral range of 200-2500 nm. Some important optical parameters such as extinction index, refractive index, dispersion energy, oscillator energy and high-frequency dielectric constant were extracted. Analysis of the absorption coefficient near the fundamental absorption edge confirms an indirectly allowed transition with an energy gap of 1.7eV. The refractive index dispersion was estimated on basis of single oscillator model expressed by Wemple-Didomenico. Current-voltage (I-V) characteristics were studied in dark and under illumination of 100 mW/cm2 to clarify the sensitivity to light. Moreover, the photo-transient properties were also investigated to confirm that the prepared heterojunction based HBDHT can be operated as a photodiode.

Experimental observation of the shift and width of the aluminium K absorption edge in laser shock-compressed plasmas

NASA Astrophysics Data System (ADS)

Hall, T. A.; Al-Kuzee, J.; Benuzzi, A.; Koenig, M.; Krishnan, J.; Grandjouan, N.; Batani, D.; Bossi, S.; Nicolella, S.

1998-03-01

Experimental measurements of the shift and width of the aluminium K-absorption edge in laser shock-compressed plasma is presented. The spectrometer used in these experiments allows an accurate wavelength calibration and fiduciary and hence provides precise measurements of both the shift and the width of the absorption edge. Results have been obtained for compressions up to approximately ×2 and temperatures up to about 1.5 eV. The values of shift and width are compared with a new model with which there is very good agreement.

Pb0.65Mn2.85Ga3S8 and Pb0.72Mn2.84Ga2.95Se8: Two Quaternary Metal Chalcognides with Open-Tunnel-Framework Structures Displaying Intense Second Harmonic Generation Responses and Interesting Magnetic Properties.

PubMed

Zhou, Molin; Jiang, Xingxing; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng

2017-07-17

By combining different nonlinear optical-active structural chromophores with transition metal Mn into a crystal structure, two novel quaternary metal chalcogenides Pb 0.65 Mn 2.85 Ga 3 S 8 (1) and Pb 0.72 Mn 2.84 Ga 2.95 Se 8 (2) were successfully synthesized. Compounds 1 and 2 are isostructural, and they represent a new structure type that crystallizes in the space group P6̅ (No. 174) in the hexagonal system. Their structures feature an interesting three-dimensional open-tunnel framework composed of bridged infinite chains with Pb 2+ cations filling in the biggest tunnels. Interestingly, both 1 and 2 demonstrate intense second harmonic generation responses at 2.09 μm that is about 1.5 and 4.4 times, respectively, of that of the benchmark material AgGaS 2 . However, 1 and 2 possess different optical diffuse reflectance spectra: 1 displays an evident multiband absorption characteristic with two distinguishing absorption edges of 738 and 551 nm, corresponding to two band gaps of 1.68 and 2.25 eV, respectively, while 2 exhibits only one sharp edge, and the corresponding band gap was estimated to be 1.65 eV. Moreover, apart from the considerable structural similarity between 1 and 2, the dc temperature dependent susceptibility measurements indicate that compound 1 is paramagnetic, while compound 2 exhibits spin-glass-like behavior.

In-situ preparation of N-TiO2/graphene nanocomposite and its enhanced photocatalytic hydrogen production by H2S splitting under solar light.

PubMed

Bhirud, Ashwini P; Sathaye, Shivaram D; Waichal, Rupali P; Ambekar, Jalindar D; Park, Chan-J; Kale, Bharat B

2015-03-21

Highly monodispersed nitrogen doped TiO2 nanoparticles were successfully deposited on graphene (N-TiO2/Gr) by a facile in-situ wet chemical method for the first time. N-TiO2/Gr has been further used for photocatalytic hydrogen production using a naturally occurring abundant source of energy i.e. solar light. The N-TiO2/Gr nanocomposite composition was optimized by varying the concentrations of dopant nitrogen and graphene (using various concentrations of graphene) for utmost hydrogen production. The structural, optical and morphological aspects of nanocomposites were studied using XRD, UV-DRS, Raman, XPS, FESEM, and TEM. The structural study of the nanocomposite shows existence of anatase N-TiO2. Further, the details of the components present in the composition were confirmed with Raman and XPS. The morphological study shows that very tiny, 7-10 nm sized, N-TiO2 nanoparticles are deposited on the graphene sheet. The optical study reveals a drastic change in absorption edge and consequent total absorption due to nitrogen doping and presence of graphene. Considering the extended absorption edge to the visible region, these nanocomposites were further used as a photocatalyst to transform hazardous H2S waste into eco-friendly hydrogen using solar light. The N-TiO2/Gr nanocomposite with 2% graphene exhibits enhanced photocatalytic stable hydrogen production i.e. ∼5941 μmol h(-1) under solar light irradiation using just 0.2 gm nanocomposite, which is much higher as compared to P25, undoped TiO2 and TiO2/Gr nanocomposite. The enhancement in the photocatalytic activity is attributed to 'N' doping as well as high specific surface area and charge carrier ability of graphene. The recycling of the photocatalyst shows a good stability of the nanocomposites. This work may provide new insights to design other semiconductor deposited graphene novel nanocomposites as a visible light active photocatalyst.

KMC-1: a high resolution and high flux soft x-ray beamline at BESSY.

PubMed

Schaefers, F; Mertin, M; Gorgoi, M

2007-12-01

The crystal monochromator beamline KMC-1 at a BESSY II bending magnet covers the energy range from soft (1.7 keV) to hard x-rays (12 keV) employing the (n,-n) double crystal arrangement with constant beam offset. The monochromator is equipped with three sets of crystals, InSb, Si (111), and Si (422) which are exchangeable in situ within a few minutes. Beamline and monochromator have been optimized for high flux and high resolution. This could be achieved by (1) a windowless setup under ultrahigh-vacuum conditions up to the experiment, (2) by the use of only three optical elements to minimize reflection losses, (3) by collecting an unusually large horizontal radiation fan (6 mrad) with the toroidal premirror, and (4) the optimization of the crystal optics to the soft x-ray range necessitating quasibackscattering crystal geometry (theta(Bragg,max)=82 degrees) delivering crystal limited resolution. The multipurpose beamline is in use for a variety of user facilities such as extended x-ray absorption fine structure, ((Bio-)EXAFS) near-edge x-ray absorption fine structure (NEXAFS), absorption and fluorescence spectroscopy. Due to the windowless UHV setup the k edges of the technologically and biologically important elements such as Si, P, and S are accessible. In addition to these experiments this beamline is now extensively used for photoelectron spectroscopy at high kinetic energies. Photon flux in the 10(11)-10(12) photons/s range and beamline resolving powers of more than E/DeltaE approximately 100.000 have been measured at selected energies employing Si (nnn) high order radiation in quasibackscattering geometry, thus photoelectron spectroscopy with a total instrumental resolution of about 150 meV is possible. This article describes the design features of the beamline and reports some experimental results in the above mentioned fields.

KMC-1: A high resolution and high flux soft x-ray beamline at BESSY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schaefers, F.; Mertin, M.; Gorgoi, M.

2007-12-15

The crystal monochromator beamline KMC-1 at a BESSY II bending magnet covers the energy range from soft (1.7 keV) to hard x-rays (12 keV) employing the (n,-n) double crystal arrangement with constant beam offset. The monochromator is equipped with three sets of crystals, InSb, Si (111), and Si (422) which are exchangeable in situ within a few minutes. Beamline and monochromator have been optimized for high flux and high resolution. This could be achieved by (1) a windowless setup under ultrahigh-vacuum conditions up to the experiment, (2) by the use of only three optical elements to minimize reflection losses, (3)more » by collecting an unusually large horizontal radiation fan (6 mrad) with the toroidal premirror, and (4) the optimization of the crystal optics to the soft x-ray range necessitating quasibackscattering crystal geometry ({theta}{sub Bragg,max}=82 deg.) delivering crystal limited resolution. The multipurpose beamline is in use for a variety of user facilities such as extended x-ray absorption fine structure, ((Bio-)EXAFS) near-edge x-ray absorption fine structure (NEXAFS), absorption and fluorescence spectroscopy. Due to the windowless UHV setup the k edges of the technologically and biologically important elements such as Si, P, and S are accessible. In addition to these experiments this beamline is now extensively used for photoelectron spectroscopy at high kinetic energies. Photon flux in the 10{sup 11}-10{sup 12} photons/s range and beamline resolving powers of more than E/{delta}E{approx_equal}100.000 have been measured at selected energies employing Si (nnn) high order radiation in quasibackscattering geometry, thus photoelectron spectroscopy with a total instrumental resolution of about 150 meV is possible. This article describes the design features of the beamline and reports some experimental results in the above mentioned fields.« less

Structural motifs of pre-nucleation clusters.

PubMed

Zhang, Y; Türkmen, I R; Wassermann, B; Erko, A; Rühl, E

2013-10-07

Structural motifs of pre-nucleation clusters prepared in single, optically levitated supersaturated aqueous aerosol microparticles containing CaBr2 as a model system are reported. Cluster formation is identified by means of X-ray absorption in the Br K-edge regime. The salt concentration beyond the saturation point is varied by controlling the humidity in the ambient atmosphere surrounding the 15-30 μm microdroplets. This leads to the formation of metastable supersaturated liquid particles. Distinct spectral shifts in near-edge spectra as a function of salt concentration are observed, in which the energy position of the Br K-edge is red-shifted by up to 7.1 ± 0.4 eV if the dilute solution is compared to the solid. The K-edge positions of supersaturated solutions are found between these limits. The changes in electronic structure are rationalized in terms of the formation of pre-nucleation clusters. This assumption is verified by spectral simulations using first-principle density functional theory and molecular dynamics calculations, in which structural motifs are considered, explaining the experimental results. These consist of solvated CaBr2 moieties, rather than building blocks forming calcium bromide hexahydrates, the crystal system that is formed by drying aqueous CaBr2 solutions.

Crystal structure, optical and thermal studies of a new organic nonlinear optical material: L-Histidinium maleate 1.5-hydrate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gonsago, C. Alosious; Albert, Helen Merina; Karthikeyan, J.

2012-07-15

Highlights: ► L-Histidinium maleate 1.5-hydrate, a new organic crystal has been grown for the first time. ► The crystal structure is reported for the first time (CCDC 845975). ► The crystal belongs to monoclinic system with space group P2{sub 1}, Z = 4, a = 11.4656(7) Å, b = 8.0530(5) Å, c = 14.9705(9) Å and β = 101.657(2)°. ► The optical absorption study substantiates the complete transparency of the crystal. ► Kurtz powder SHG test confirms the nonlinear property of the crystal. -- Abstract: A new organic nonlinear optical material L-histidinium maleate 1.5-hydrate (LHM) with the molecular formula C{submore » 10}H{sub 16}N{sub 3}O{sub 7.5} has been successfully synthesized from aqueous solution by slow solvent evaporation method. The structural characterization of the grown crystal was carried out by single crystal X-ray diffraction at 293(2) K. In the crystal, molecules are linked through inter and intramolecular N-H⋯O and O-H⋯O hydrogen bonds, generate edge fused ring motif. The hydrogen bonded motifs are linked to each other to form a three dimensional network. The FT-IR spectroscopy was used to identify the functional groups of the synthesized compound. The optical behavior of the grown crystal was examined by UV–visible spectral analysis, which shows that the optical absorption is almost negligible in the wavelength range 280–1300 nm. The nonlinear optical property was confirmed by the powder technique of Kurtz and Perry. The thermal behavior of the grown crystal was analyzed by thermogravimetric analysis.« less

Photo- and Thermo-Induced Changes in Optical Constants and Structure of Thin Films from GeSe2-GeTe-ZnTe System

NASA Astrophysics Data System (ADS)

Petkov, Kiril; Todorov, Rossen; Vassilev, Venceslav; Aljihmani, Lilia

We examined the condition of preparation of thin films from GeSe2-GeTe-ZnTe system by thermal evaporation and changes in their optical properties after exposure to light and thermal annealing. The results for composition analysis of thin films showed absence of Zn independently of the composition of the bulk glass. By X-ray diffraction (XRD) analysis it was found that a reduction of ZnTe in ZnSe in bulk materials takes of place during the film deposition. A residual from ZnSe was observed in the boat after thin film deposition. Optical constants (refractive index, n and absorption coefficient, α) and thickness, d as well as the optical band gap, Eg, depending of the content of Te in ternary Ge-Se-Te system are determined from specrophotometric measurements in the spectral range 400-2500 nm applying the Swanepoel's envelope method and Tauc's procedure. With the increase of Te content in the layers the absorption edge is shifted to the longer wavelengths, refractive index increases while the optical band gap decreases from 2.02 eV for GeSe2 to 1.26 eV for Ge34Se42Te24. The values of the refractive index decrease after annealing of all composition and Eg increase, respectively. Thin films with composition of Ge27Se47Te9Zn17 and Ge28Se49Te10Zn13 were prepared by co-evaporation of (GeSe2)78(GeTe)22 and Zn from a boat and a crucible and their optical properties, surface morphology and structure were investigated. The existence of a correlation between the optical band gap and the copostion of thin films from the system studied was demonstrated.

Point-defect energies in the nitrides of aluminum, gallium, and indium

NASA Astrophysics Data System (ADS)

Tansley, T. L.; Egan, R. J.

1992-05-01

Experimental data on the nature and energetic location of levels associated with native point defects in the group-III metal nitrides are critically reviewed and compared with theoretical estimates. All three show strong evidence of the existence of a triplet of donorlike states associated with the nitrogen vacancy. Ground states are at about 150, 400, and 900 meV from the conduction-band edge in InN, GaN, and AlN, respectively, with their charged derivatives lying closer to the band edge. These values agree with both modified-hydrogenic and deep-level calculations, surprisingly well in view of the inherent approximations in each in this depth range. The InN donor ground state is both optically active and usually occupied, showing a distinctive absorption band which is very well described by quantum-defect analysis. Variation of threshold with electron concentration shows a Moss-Burstein shift commensurate with that observed in band-to-band absorption. In both GaN and AlN, levels have been identified at about 1/4EG and about 3/4EG, which correlate well with predictions for the antisite defects NM and MN, respectively, while similar behavior in InN is at odds with theory. The metal-vacancy defect appears to generate a level somewhat below midgap in AlN and close to the valence-band edge in GaN, but has not been located experimentally in InN, where it is predicted to lie very close to the valence-band edge. A tentative scheme for the participation of two of the native defects in GaN, namely VN and NGa, in the four broad emission bands found in Zn-compensated and undoped GaN is offered.

EVENTS LEADING UP TO THE 2015 JUNE OUTBURST OF V404 CYG

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bernardini, F.; Russell, D. M.; Koljonen, K. I. I.

2016-02-10

On 2015 June 15 the burst alert telescope (BAT) on board Swift detected an X-ray outburst from the black hole (BH) transient V404 Cyg. We monitored V404 Cyg for the last 10 years with the 2-m Faulkes Telescope North in three optical bands (V, R, and i′). We found that, one week prior to this outburst, the optical flux was 0.1–0.3 mag brighter than the quiescent orbital modulation, implying an optical precursor to the X-ray outburst. There is also a hint of a gradual optical decay (years) followed by a rise lasting two months prior to the outburst. We fortuitouslymore » obtained an optical spectrum of V404 Cyg 13 hr before the BAT trigger. This too was brighter than quiescence, and showed spectral lines typical of an accretion disk, with characteristic absorption features of the donor being much weaker. No He ii emission was detected, which would have been expected had the X-ray flux been substantially brightening. This, combined with the presence of intense Hα emission, about seven times the quiescent level, suggests that the disk entered the hot, outburst state before the X-ray outburst began. We propose that the outburst is produced by a viscous–thermal instability triggered close to the inner edge of a truncated disk. An X-ray delay of a week is consistent with the time needed to refill the inner region and hence move the inner edge of the disk inwards, allowing matter to reach the central BH, finally turning on the X-ray emission.« less

Advances in Perovskite Solar Cells

PubMed Central

Zuo, Chuantian; Bolink, Henk J.; Han, Hongwei; Huang, Jinsong

2016-01-01

Organolead halide perovskite materials possess a combination of remarkable optoelectronic properties, such as steep optical absorption edge and high absorption coefficients, long charge carrier diffusion lengths and lifetimes. Taken together with the ability for low temperature preparation, also from solution, perovskite‐based devices, especially photovoltaic (PV) cells have been studied intensively, with remarkable progress in performance, over the past few years. The combination of high efficiency, low cost and additional (non‐PV) applications provides great potential for commercialization. Performance and applications of perovskite solar cells often correlate with their device structures. Many innovative device structures were developed, aiming at large‐scale fabrication, reducing fabrication cost, enhancing the power conversion efficiency and thus broadening potential future applications. This review summarizes typical structures of perovskite solar cells and comments on novel device structures. The applications of perovskite solar cells are discussed. PMID:27812475

Surface characteristics changes in polymeric material by swift ion beam

NASA Astrophysics Data System (ADS)

Abdul-Kader, A. M.; El-Gendy, Y. A.

2018-03-01

In this work, polyethylene (PE) samples were subjected to 9 MeV Cl+2 ions with fluences ranging from 1 × 1013 to 5 × 1014 ion/cm2. Rutherford back scattering spectrometry (RBS), X-ray diffraction (XRD), ultraviolet-visible (UV-vis) spectroscopy and Vicker's micro-hardness (Hv) techniques were used to investigate the compositional transformation, changes in the structure, optical and surface hardness of bombarded samples. The adhesion parameters were analyzed using the contact angle measurements. The obtained results showed that the ion irradiation caused a decrease in the crystallinity of polyethylene and increase in absorption of oxygen on the polymer surface as well. The absorption edge shifted towards the red shift as Cl-ion fluence increases. It was found that the hardness and adhesion parameters increase with increasing the ion beam fluence.

Atomic gas in debris discs

NASA Astrophysics Data System (ADS)

Hales, Antonio S.; Barlow, M. J.; Crawford, I. A.; Casassus, S.

2017-04-01

We have conducted a search for optical circumstellar absorption lines in the spectra of 16 debris disc host stars. None of the stars in our sample showed signs of emission line activity in either Hα, Ca II or Na I, confirming their more evolved nature. Four stars were found to exhibit narrow absorption features near the cores of the photospheric Ca II and Na I D lines (when Na I D data were available). We analyse the characteristics of these spectral features to determine whether they are of circumstellar or interstellar origins. The strongest evidence for circumstellar gas is seen in the spectrum of HD 110058, which is known to host a debris disc observed close to edge-on. This is consistent with a recent ALMA detection of molecular gas in this debris disc, which shows many similarities to the β Pictoris system.

Effects of production conditions on the properties of Cu/sub 6/PS/sub 5/Hal crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan'ko, V.V.; Studenyak, I.P.; D'ordyai, V.S.

1988-06-01

Cu/sub 6/PS/sub 5/Hal single crystals belong to the class of compounds having the argyrodite structure; they have high disordered-vacancy concentrations, so they show high ionic conductivity even at room temperature. Various values have been quoted for the conductivities of Cu/sub 6/PS/sub 5/Hal, which may be due to differing growth conditions. The authors have examined the effects of those conditions on some electrophysical and optical parameters. The crystals were grown by chemical transport reaction. Differences in Cu/sub 6/PS/sub 5/Hal production conditions were found to affect the absorption edge and broaden the exciton-impurity absorption band, whose intensity alters, as well as increasingmore » the Rayleigh flank intensity in the Raman spectrum on account of increased copper concentrations.« less

X-ray absorption spectroscopic studies of the active sites of nickel- and copper-containing metalloproteins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Grace O.

1993-06-01

X-ray absorption spectroscopy (XAS) is a useful tool for obtaining structural and chemical information about the active sites of metalloproteins and metalloenzymes. Information may be obtained from both the edge region and the extended X-ray absorption fine structure (EXAFS) or post-edge region of the K-edge X-ray absorption spectrum of a metal center in a compound. The edge contains information about the valence electronic structure of the atom that absorbs the X-rays. It is possible in some systems to infer the redox state of the metal atom in question, as well as the geometry and nature of ligands connected to it,more » from the features in the edge in a straightforward manner. The EXAFS modulations, being produced by the backscattering of the ejected photoelectron from the atoms surrounding the metal atom, provide, when analyzed, information about the number and type of neighbouring atoms, and the distances at which they occur. In this thesis, analysis of both the edge and EXAFS regions has been used to gain information about the active sites of various metalloproteins. The metalloproteins studied were plastocyanin (Pc), laccase and nickel carbon monoxide dehydrogenase (Ni CODH). Studies of Cu(I)-imidazole compounds, related to the protein hemocyanin, are also reported here.« less

Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory.

PubMed

Nascimento, Daniel R; DePrince, A Eugene

2017-07-06

An explicitly time-dependent (TD) approach to equation-of-motion (EOM) coupled-cluster theory with single and double excitations (CCSD) is implemented for simulating near-edge X-ray absorption fine structure in molecular systems. The TD-EOM-CCSD absorption line shape function is given by the Fourier transform of the CCSD dipole autocorrelation function. We represent this transform by its Padé approximant, which provides converged spectra in much shorter simulation times than are required by the Fourier form. The result is a powerful framework for the blackbox simulation of broadband absorption spectra. K-edge X-ray absorption spectra for carbon, nitrogen, and oxygen in several small molecules are obtained from the real part of the absorption line shape function and are compared with experiment. The computed and experimentally obtained spectra are in good agreement; the mean unsigned error in the predicted peak positions is only 1.2 eV. We also explore the spectral signatures of protonation in these molecules.

Optical spectroscopy and band gap analysis of hybrid improper ferroelectric Ca3Ti2O7

NASA Astrophysics Data System (ADS)

Musfeldt, Janice; Cherian, Judy; Birol, Turan; Harms, Nathan; Gao, Bin; Cheong, Sang; Vanderbilt, David

We bring together optical absorption spectroscopy, photoconductivity, and first principles calculations to reveal the electronic structure of the room temperature ferroelectric Ca3Ti2O7. The 3.94 eV direct gap in Ca3Ti2O7 is charge transfer in nature and noticeably higher than that in CaTiO3 (3.4 eV), a finding that we attribute to dimensional confinement in the n = 2 member of the Ruddlesden-Popper series. While Sr substitution introduces disorder and broadens the gap edge slightly, oxygen deficiency reduces the gap to 3.7 eV and gives rise to a broad tail that persists to much lower energies. MSD, BES, U. S. DoE and DMREF, NSF.

Optical properties of ZnO/BaCO3 nanocomposites in UV and visible regions.

PubMed

Zak, Ali Khorsand; Hashim, Abdul Manaf; Darroudi, Majid

2014-01-01

Pure zinc oxide and zinc oxide/barium carbonate nanoparticles (ZnO-NPs and ZB-NPs) were synthesized by the sol-gel method. The prepared powders were characterized by X-ray diffraction (XRD), ultraviolet-visible (UV-Vis), Auger spectroscopy, and transmission electron microscopy (TEM). The XRD result showed that the ZnO and BaCO3 nanocrystals grow independently. The Auger spectroscopy proved the existence of carbon in the composites besides the Zn, Ba, and O elements. The UV-Vis spectroscopy results showed that the absorption edge of ZnO nanoparticles is redshifted by adding barium carbonate. In addition, the optical parameters including the refractive index and permittivity of the prepared samples were calculated using the UV-Vis spectra. 81.05.Dz; 78.40.Tv; 42.70.-a.

Unanticipated C=C bonds in covalent monolayers on silicon revealed by NEXAFS.

PubMed

Lee, Michael V; Lee, Jonathan R I; Brehmer, Daniel E; Linford, Matthew R; Willey, Trevor M

2010-02-02

Interfaces are crucial to material properties. In the case of covalent organic monolayers on silicon, molecular structure at the interface controls the self-assembly of the monolayers, which in turn influences the optical properties and electrical transport. These properties intrinsically affect their application in biology, tribology, optics, and electronics. We use near-edge X-ray absorption fine structure spectroscopy to show that the most basic covalent monolayers formed from 1-alkenes on silicon retain a double bond in one-fifth to two-fifths of the resultant molecules. Unsaturation in the predominantly saturated monolayers will perturb the regular order and affect the dependent properties. The presence of unsaturation in monolayers produced by two different methods also prompts the re-evaluation of other radical-based mechanisms for forming covalent monolayers on silicon.

X-ray diffraction and Raman investigations of thickness dependent stress effects on Pb(ZrxTi1-x)O3 thin films

NASA Astrophysics Data System (ADS)

Lappalainen, Jyrki; Lantto, Vilho; Frantti, Johannes; Hiltunen, Jussi

2006-06-01

Microstructure, film orientation, and optical transmission spectra of polycrystalline Nd-modified Pb(ZrxTi1-x)O3 films were studied as a function of film thickness. Pulsed laser deposition was used for the fabrication of films with thickness from 80to465nm on single-crystal MgO(100) substrates. Raman spectroscopy, x-ray diffraction, and spectrophotometry measurements were utilized in the film characterization. With the decreasing film thickness, films first oriented with c axis perpendicular to film surface, and then, after some critical thickness, changed to a-axis orientation. At the same time, compressive stress increased up to 1.3GPa and a clear blueshift of the optical absorption edge was found in transmission spectra.

Optical constants of wurtzite ZnS thin films determined by spectroscopic ellipsometry

NASA Astrophysics Data System (ADS)

Ong, H. C.; Chang, R. P. H.

2001-11-01

The complex dielectric functions of wurtzite ZnS thin films grown on (0001) Al2O3 have been determined by using spectroscopic ellipsometry over the spectral range of 1.33-4.7 eV. Below the band gap, the refractive index n is found to follow the first-order Sellmeir dispersion relationship n2(λ)=1+2.22λ2/(λ2-0.0382). Strong and well-defined free excitonic features located above the band edge are clearly observed at room temperature. The intrinsic optical parameters of wurtzite ZnS such as band gaps and excitonic binding energies have been determined by fitting the absorption spectrum using a modified Elliott expression together with Lorentizan broadening. Both parameters are found to be larger than their zinc blende counterparts.

Optical spectroscopy and band gap analysis of hybrid improper ferroelectric Ca{sub 3}Ti{sub 2}O{sub 7}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cherian, Judy G.; Harms, Nathan C.; Birol, Turan

2016-06-27

We bring together optical absorption spectroscopy, photoconductivity, and first principles calculations to reveal the electronic structure of the room temperature ferroelectric Ca{sub 3}Ti{sub 2}O{sub 7}. The 3.94 eV direct gap in Ca{sub 3}Ti{sub 2}O{sub 7} is charge transfer in nature and noticeably higher than that in CaTiO{sub 3} (3.4 eV), a finding that we attribute to dimensional confinement in the n = 2 member of the Ruddlesden-Popper series. While Sr substitution introduces disorder and broadens the gap edge slightly, oxygen deficiency reduces the gap to 3.7 eV and gives rise to a broad tail that persists to much lower energies.

Photovoltaic measurement of bandgap narrowing in moderately doped silicon

NASA Astrophysics Data System (ADS)

del Alamo, Jesus A.; Swanson, Richard M.; Lietoila, Arto

1983-05-01

Solar cells have been fabricated on n-type and p-type moderately doped Si. The shrinkage of the Si bandgap has been obtained by measuring the internal quantum efficiency in the near infrared spectrum ( hv = 1.00-1.25 eV) around the fundamental absorption edge. The results agree with previous optical measurements of bandgap narrowing in Si. It is postulated that this optically-determined bandgap narrowing is the rigid shrinkage of the forbidden gap due to many-body effects. The "device bandgap narrowing" obtained by measuring the pn product in bipolar devices leads to discrepant values because (i) the density of states in the conduction and valence band is modified due to the potential fluctuations originated in the variations in local impurity density, and (ii) the influence of Fermi-Dirac statistics.

Preparation and optical characteristics of ZnSe nanocrystals doped glass by sol gel in situ crystallization method

NASA Astrophysics Data System (ADS)

Hao, Haiyan; Yao, Xi; Wang, Minqiang

2007-01-01

Homogeneous ZnSe nanocrystals doped SiO 2 glass was successfully prepared by sol-gel in situ crystallization method. The structure of the doped ZnSe nanocrystals was studied by X-ray diffraction (XRD). ZnSe nanocrystals in silica were about 4-10 nm analysed by transmission electron microscopy (TEM), which was consistent with the results of XRD estimated using Scherrer's formular. The quantum size effect in ZnSe nanocrystals was evidenced from the blue-shifts of the optical absorption edge, and the average size of ZnSe nanocrystals was estimated by the magnitude of blue shift according to the L.E. Brus' effective mass model. The size of ZnSe nanocrystals depending on annealing time and temperature was further discussed using XRF.

Zn-VI quasiparticle gaps and optical spectra from many-body calculations.

PubMed

Riefer, A; Weber, N; Mund, J; Yakovlev, D R; Bayer, M; Schindlmayr, Arno; Meier, C; Schmidt, W G

2017-06-01

The electronic band structures of hexagonal ZnO and cubic ZnS, ZnSe, and ZnTe compounds are determined within hybrid-density-functional theory and quasiparticle calculations. It is found that the band-edge energies calculated on the [Formula: see text] (Zn chalcogenides) or GW (ZnO) level of theory agree well with experiment, while fully self-consistent QSGW calculations are required for the correct description of the Zn 3d bands. The quasiparticle band structures are used to calculate the linear response and second-harmonic-generation (SHG) spectra of the Zn-VI compounds. Excitonic effects in the optical absorption are accounted for within the Bethe-Salpeter approach. The calculated spectra are discussed in the context of previous experimental data and present SHG measurements for ZnO.

Soft X-ray absorption spectroscopy and resonant inelastic X-ray scattering spectroscopy below 100 eV: probing first-row transition-metal M-edges in chemical complexes

PubMed Central

Wang, Hongxin; Young, Anthony T.; Guo, Jinghua; Cramer, Stephen P.; Friedrich, Stephan; Braun, Artur; Gu, Weiwei

2013-01-01

X-ray absorption and scattering spectroscopies involving the 3d transition-metal K- and L-edges have a long history in studying inorganic and bioinorganic molecules. However, there have been very few studies using the M-edges, which are below 100 eV. Synchrotron-based X-ray sources can have higher energy resolution at M-edges. M-edge X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) could therefore provide complementary information to K- and L-edge spectroscopies. In this study, M 2,3-edge XAS on several Co, Ni and Cu complexes are measured and their spectral information, such as chemical shifts and covalency effects, are analyzed and discussed. In addition, M 2,3-edge RIXS on NiO, NiF2 and two other covalent complexes have been performed and different d–d transition patterns have been observed. Although still preliminary, this work on 3d metal complexes demonstrates the potential to use M-edge XAS and RIXS on more complicated 3d metal complexes in the future. The potential for using high-sensitivity and high-resolution superconducting tunnel junction X-ray detectors below 100 eV is also illustrated and discussed. PMID:23765304

Soft X-ray absorption spectroscopy and resonant inelastic X-ray scattering spectroscopy below 100 eV: probing first-row transition-metal M-edges in chemical complexes.

PubMed

Wang, Hongxin; Young, Anthony T; Guo, Jinghua; Cramer, Stephen P; Friedrich, Stephan; Braun, Artur; Gu, Weiwei

2013-07-01

X-ray absorption and scattering spectroscopies involving the 3d transition-metal K- and L-edges have a long history in studying inorganic and bioinorganic molecules. However, there have been very few studies using the M-edges, which are below 100 eV. Synchrotron-based X-ray sources can have higher energy resolution at M-edges. M-edge X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) could therefore provide complementary information to K- and L-edge spectroscopies. In this study, M2,3-edge XAS on several Co, Ni and Cu complexes are measured and their spectral information, such as chemical shifts and covalency effects, are analyzed and discussed. In addition, M2,3-edge RIXS on NiO, NiF2 and two other covalent complexes have been performed and different d-d transition patterns have been observed. Although still preliminary, this work on 3d metal complexes demonstrates the potential to use M-edge XAS and RIXS on more complicated 3d metal complexes in the future. The potential for using high-sensitivity and high-resolution superconducting tunnel junction X-ray detectors below 100 eV is also illustrated and discussed.

Post-annealing effect on optical absorbance of hydrothermally grown zinc oxide nanorods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mohar, Rahmat Setiawan; Djuhana, Dede; Imawan, Cuk

In this study, the optical absorbance of zinc oxide (ZnO) nanorods was investigated. The ZnO thin film were deposited on indium tin oxide (ITO) layers using ultrasonic spray pyrolysis (USP) method and then grown by hydrothermal method. In order to improve the optical absorbance, the ZnO nanorods were then post-annealed for one hour at three different of temperatures, namely 250, 400, and 500 °C. The X-ray diffraction (XRD) spectra and FESEM images show that the ZnO nanorods have the hexagonal wurtzite crystal structure and the increasing of post-annealing temperature resulted in the increasing of crystallite size from 38.2 nm to 48.4 nm.more » The UV-vis spectra shows that all samples of ZnO nanorods exhibited the identical sharp absorption edge at 390 nm indicating that all samples have the same bandgap. The post-annealing process seemed to decrease the optical absorbance in the region of 300-550 nm and increase the optical absorbance in the region of 550-700 nm..« less

Accurate Modeling of X-ray Extinction by Interstellar Grains

NASA Astrophysics Data System (ADS)

Hoffman, John; Draine, B. T.

2016-02-01

Interstellar abundance determinations from fits to X-ray absorption edges often rely on the incorrect assumption that scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. We show that the consequences of neglecting scattering on the determination of interstellar elemental abundances are modest; however, scattering (along with uncertainties in the grain size distribution) must be taken into account when near-edge extinction fine structure is used to infer dust mineralogy. We advertise the benefits and accuracy of anomalous diffraction theory for both X-ray halo analysis and near edge absorption studies. We present an open source Fortran suite, General Geometry Anomalous Diffraction Theory (GGADT), that calculates X-ray absorption, scattering, and differential scattering cross sections for grains of arbitrary geometry and composition.

Near-edge x-ray absorption fine structure spectroscopy at atmospheric pressure with a table-top laser-induced soft x-ray source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kühl, Frank-Christian, E-mail: Frank-christian.kuehl@mail.de; Müller, Matthias, E-mail: matthias.mueller@llg-ev.de; Schellhorn, Meike

2016-07-15

The authors present a table-top soft x-ray absorption spectrometer, accomplishing investigations of the near-edge x-ray absorption fine structure (NEXAFS) in a laboratory environment. The system is based on a low debris plasma ignited by a picosecond laser in a pulsed krypton gas jet, emitting soft x-ray radiation in the range from 1 to 5 nm. For absorption spectroscopy in and around the “water window” (2.3–4.4 nm), a compact helium purged sample compartment for experiments at atmospheric pressure has been constructed and tested. NEXAFS measurements on CaCl{sub 2} and KMnO{sub 4} samples were conducted at the calcium and manganese L-edges, as well asmore » at the oxygen K-edge in air, atmospheric helium, and under vacuum, respectively. The results indicate the importance of atmospheric conditions for an investigation of sample hydration processes.« less

Core-shell photoabsorption and photoelectron spectra of gas-phase pentacene: experiment and theory.

PubMed

Alagia, Michele; Baldacchini, Chiara; Betti, Maria Grazia; Bussolotti, Fabio; Carravetta, Vincenzo; Ekström, Ulf; Mariani, Carlo; Stranges, Stefano

2005-03-22

The C K-edge photoabsorption and 1s core-level photoemission of pentacene (C22H14) free molecules are experimentally measured, and calculated by self-consistent-field and static-exchange approximation ab initio methods. Six nonequivalent C atoms present in the molecule contribute to the C 1s photoemission spectrum. The complex near-edge structures of the carbon K-edge absorption spectrum present two main groups of discrete transitions between 283 and 288 eV photon energy, due to absorption to pi* virtual orbitals, and broader structures at higher energy, involving sigma* virtual orbitals. The sharp absorption structures to the pi* empty orbitals lay well below the thresholds for the C 1s ionizations, caused by strong excitonic and localization effects. We can definitely explain the C K-edge absorption spectrum as due to both final (virtual) and initial (core) orbital effects, mainly involving excitations to the two lowest-unoccupied molecular orbitals of pi* symmetry, from the six chemically shifted C 1s core orbitals.

Core-shell photoabsorption and photoelectron spectra of gas-phase pentacene: Experiment and theory

NASA Astrophysics Data System (ADS)

Alagia, Michele; Baldacchini, Chiara; Betti, Maria Grazia; Bussolotti, Fabio; Carravetta, Vincenzo; Ekström, Ulf; Mariani, Carlo; Stranges, Stefano

2005-03-01

The C K-edge photoabsorption and 1s core-level photoemission of pentacene (C22H14) free molecules are experimentally measured, and calculated by self-consistent-field and static-exchange approximation ab initio methods. Six nonequivalent C atoms present in the molecule contribute to the C 1s photoemission spectrum. The complex near-edge structures of the carbon K-edge absorption spectrum present two main groups of discrete transitions between 283 and 288eV photon energy, due to absorption to π* virtual orbitals, and broader structures at higher energy, involving σ* virtual orbitals. The sharp absorption structures to the π* empty orbitals lay well below the thresholds for the C 1s ionizations, caused by strong excitonic and localization effects. We can definitely explain the C K-edge absorption spectrum as due to both final (virtual) and initial (core) orbital effects, mainly involving excitations to the two lowest-unoccupied molecular orbitals of π* symmetry, from the six chemically shifted C 1s core orbitals.

Effect of Fe-substitution on the structure and magnetism of single crystals Mn2-xFexBO4

NASA Astrophysics Data System (ADS)

Platunov, M. S.; Kazak, N. V.; Knyazev, Yu. V.; Bezmaternykh, L. N.; Moshkina, E. M.; Trigub, A. L.; Veligzhanin, A. A.; Zubavichus, Y. V.; Solovyov, L. A.; Velikanov, D. A.; Ovchinnikov, S. G.

2017-10-01

Single crystalline Mn2-xFexBO4 with x = 0.3, 0.5, 0.7 grown by the flux method have been studied by means of X-ray diffraction and X-ray absorption spectroscopy at both Mn and Fe K edges. The compounds were found to crystallize in an orthorhombic warwickite structure (sp. gr. Pnam). The lattice parameters change linearly with x thus obeying the Vegard's law. The Fe3+ substitution for Mn3+ has been deduced from the X-ray absorption near-edge structure (XANES) spectra. Two energy positions of the absorption edges have been observed in Mn K-edge XANES spectra indicating the presence of manganese in two different oxidation states. Extended X-ray absorption fine structure (EXAFS) analysis has shown the reduction of local structural distortions upon Fe substitution. The magnetization data have revealed a spin-glass transition at TSG = 11, 14 and 18 K for x = 0.3, 0.5 and 0.7, respectively.

Magneto-optical absorption in semiconducting spherical quantum dots: Influence of the dot-size, confining potential, and magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kushwaha, Manvir S.

2014-12-15

Semiconducting quantum dots – more fancifully dubbed artificial atoms – are quasi-zero dimensional, tiny, man-made systems with charge carriers completely confined in all three dimensions. The scientific quest behind the synthesis of quantum dots is to create and control future electronic and optical nanostructures engineered through tailoring size, shape, and composition. The complete confinement – or the lack of any degree of freedom for the electrons (and/or holes) – in quantum dots limits the exploration of spatially localized elementary excitations such as plasmons to direct rather than reciprocal space. Here we embark on a thorough investigation of the magneto-optical absorptionmore » in semiconducting spherical quantum dots characterized by a confining harmonic potential and an applied magnetic field in the symmetric gauge. This is done within the framework of Bohm-Pines’ random-phase approximation that enables us to derive and discuss the full Dyson equation that takes proper account of the Coulomb interactions. As an application of our theoretical strategy, we compute various single-particle and many-particle phenomena such as the Fock-Darwin spectrum; Fermi energy; magneto-optical transitions; probability distribution; and the magneto-optical absorption in the quantum dots. It is observed that the role of an applied magnetic field on the absorption spectrum is comparable to that of a confining potential. Increasing (decreasing) the strength of the magnetic field or the confining potential is found to be analogous to shrinking (expanding) the size of the quantum dots: resulting into a blue (red) shift in the absorption spectrum. The Fermi energy diminishes with both increasing magnetic-field and dot-size; and exhibits saw-tooth-like oscillations at large values of field or dot-size. Unlike laterally confined quantum dots, both (upper and lower) magneto-optical transitions survive even in the extreme instances. However, the intra-Landau level transitions are seen to be forbidden. The spherical quantum dots have an edge over the strictly two-dimensional quantum dots in that the additional (magnetic) quantum number makes the physics richer (but complex). A deeper grasp of the Coulomb blockade, quantum coherence, and entanglement can lead to a better insight into promising applications involving lasers, detectors, storage devices, and quantum computing.« less

Effect of annealing time on optical and electrical properties of CdS thin films

NASA Astrophysics Data System (ADS)

Soliya, Vanshika; Tandel, Digisha; Patel, Chandani; Patel, Kinjal

2018-05-01

Cadmium sulphide (CdS) is semiconductor compound of II-VI group. Thin film of CdS widely used in the applications such as, a buffer layer in copper indium diselenide (CIS) hetrojunction based solar cells, transistors, photo detectors and light emitting diodes. Because of the ease of making like chemical bath deposition (CBD), screen printing and thermal evaporation. It is extensively used in the CIS based solar cells as a buffer layers. The buffer layers usually used for reducing the interface recombination of the photo generated carriers by means of improving the lattice mismatch between the layers. The optimum thickness and the optoelectronics properties of CdS thin films like, optical band gap, electrical resistivity, structure, and composition etc., are to be considering for its use as a buffer layer. In the present study the CdS thin film were grown by simple dip coating method. In this method we had prepared 0.1M Cadmium-thiourea precursor solution. Before the deposition process of CdS, glass substrate has been cleaned using Methanol, Acetone, Trichloroethylene and De-ionized (DI) water. After coating of precursor layer, it was heated at 200 °C for themolysis. Then after CdS films were annealed at 200 °C for different time and studied its influence on the optical transmission, band gap, XRD, raman and the electrical resistivity. As increasing the annealing time we had observed the average transmission of the films was reduce after the absorption edge. In addition to the blue shift of absorption edge was observed. The observed optimum band gap was around 2.50 eV. XRD and raman analysis confirms the cubuc phase of CdS. Hot probe method confirms the n-type conductivity of the CdS film. Hall probe data shows the resistivity of the films was in the order of 103 Ωcm. Observed data signifies its future use in the many optoelectronics devices.

K-Shell Photoionization of Nickel Ions Using R-Matrix

NASA Technical Reports Server (NTRS)

Witthoeft, M. C.; Bautista, M. A.; Garcia, J.; Kallman, T. R.; Mendoza, C.; Palmeri, P.; Quinet, P.

2011-01-01

We present R-matrix calculations of photoabsorption and photoionization cross sections across the K edge of the Li-like to Ca-like ions stages of Ni. Level-resolved, Breit-Pauli calculations were performed for the Li-like to Na-like stages. Term-resolved calculations, which include the mass-velocity and Darwin relativistic corrections, were performed for the Mg-like to Ca-like ion stages. This data set is extended up to Fe-like Ni using the distorted wave approximation as implemented by AUTOSTRUCTURE. The R-matrix calculations include the effects of radiative and Auger dampings by means of an optical potential. The damping processes affect the absorption resonances converging to the K thresholds causing them to display symmetric profiles of constant width that smear the otherwise sharp edge at the K-shell photoionization threshold. These data are important for the modeling of features found in photoionized plasmas.

Problems for the standard black hole/accretion disk models in Cygnus X-1?

NASA Technical Reports Server (NTRS)

Done, C.; Mulchaey, J. S.; Mushotzky, R. F.; Arnaud, K. A.

1992-01-01

Archival EXOSAT and HEAO1-A2 data from Cyg X-1 show the 'high energy excess' above 10 keV seen in X-ray observations of AGN. Using a likelihood ratio test, we are for the first time able to distinguish conclusively in favor of Compton reflection rather than partial covering as the origin of the high energy excess. This supports the idea of an X-ray illuminated accretion disk in Cyg X-1, but the line equivalent width is smaller by a factor of 2-3 than that expected from such a disk. While the larger optical depth required for reflection as opposed to line emission admit the possibility of seeing line without reflection, the converse is not possible. To see a reflection spectrum, including the strong iron absorption edge, implies that strong iron emission must be observed as the line and edge are causally linked.

X-ray Absorption and Emission Spectroscopy of CrIII (Hydr)Oxides: Analysis of the K-Pre-Edge Region

NASA Astrophysics Data System (ADS)

Frommer, Jakob; Nachtegaal, Maarten; Czekaj, Izabela; Weng, Tsu-Chien; Kretzschmar, Ruben

2009-10-01

Pre-edge spectral features below the main X-ray absorption K-edge of transition metals show a pronounced chemical sensitivity and are promising sources of structural information. Nevertheless, the use of pre-edge analysis in applied research is limited because of the lack of definite theoretical peak-assignments. The aim of this study was to determine the factors affecting the chromium K-pre-edge features in trivalent chromium-bearing oxides and oxyhydroxides. The selected phases varied in the degree of octahedral polymerization and the degree of iron-for-chromium substitution in the crystal structure. We investigated the pre-edge fine structure by means of high-energy-resolution fluorescence detected X-ray absorption spectroscopy and by 1s2p resonant X-ray emission spectroscopy. Multiplet theory and full multiple-scattering calculations were used to analyze the experimental data. We show that the chromium K-pre-edge contains localized and nonlocalized transitions. Contributions arising from nonlocalized metal-metal transitions are sensitive to the nearest metal type and to the linkage mode between neighboring metal octahedra. Analyzing these transitions opens up new opportunities for investigating the local coordination environment of chromium in poorly ordered solids of environmental relevance.

Dispersive bi-stability in a vertical microcavity-based saturable absorber due to photo-thermal effect and initial phase-detuning

NASA Astrophysics Data System (ADS)

Pradhan, R.; Saha, S.; Datta, P. K.

2013-01-01

Round-trip phase-shifts with intensity of an input signal due to saturable index change and optically induced thermal effects in a vertical cavity semiconductor (quantum wells) saturable absorber (VCSSA) are investigated analytically to observe counter-clockwise bi-stability in transmission mode and clockwise bi-stability in reflection mode. Simultaneous effects of Kerr nonlinearity and cavity heating on resonance wavelength-shift of the VCSSA micro-cavity are investigated. It is found that these bi-stable characteristics are possible to the absorption edge of nonlinear material for long wavelength side operations of low intensity resonance wavelength of the micro-cavity, where dispersion of absorption and refraction are neglected over a small range of optical wavelength tuning (δλ˜10 nm). Simulations are carried out to find out optimized parameters of the device for bi-stable characteristics. Operations are demonstrated for InGaAs/InP quantum wells based VCSSA with low intensity resonance wavelength of 1570 nm. For counter-clockwise bi-stable switching at working wavelength of 1581 nm, an input intensity variation of 0.79IS is required with top (Rt) and back DBR reflectivity (Rb) of 91% and 93%, respectively, where IS represents the absorption saturation intensity of nonlinear medium. Whereas, the clockwise bi-stability occurs at 0.22IS for working wavelength of 1578 nm with Rt of 90% and Rb of 98%, respectively.

Optical and electronic properties of 2 H -Mo S2 under pressure: Revealing the spin-polarized nature of bulk electronic bands

NASA Astrophysics Data System (ADS)

Brotons-Gisbert, Mauro; Segura, Alfredo; Robles, Roberto; Canadell, Enric; Ordejón, Pablo; Sánchez-Royo, Juan F.

2018-05-01

Monolayers of transition-metal dichalcogenide semiconductors present spin-valley locked electronic bands, a property with applications in valleytronics and spintronics that is usually believed to be absent in their centrosymmetric (as the bilayer or bulk) counterparts. Here we show that bulk 2 H -Mo S2 hides a spin-polarized nature of states determining its direct band gap, with the spin sequence of valence and conduction bands expected for its single layer. This relevant finding is attained by investigating the behavior of the binding energy of A and B excitons under high pressure, by means of absorption measurements and density-functional-theory calculations. These results raise an unusual situation in which bright and dark exciton degeneracy is naturally broken in a centrosymmetric material. Additionally, the phonon-assisted scattering process of excitons has been studied by analyzing the pressure dependence of the linewidth of discrete excitons observed at the absorption coefficient edge of 2 H -Mo S2 . Also, the pressure dependence of the indirect optical transitions of bulk 2 H -Mo S2 has been analyzed by absorption measurements and density-functional-theory calculations. These results reflect a progressive closure of the indirect band gap as pressure increases, indicating that metallization of bulk Mo S2 may occur at pressures higher than 26 GPa.

Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy.

PubMed

Hayes, Dugan; Kohler, Lars; Hadt, Ryan G; Zhang, Xiaoyi; Liu, Cunming; Mulfort, Karen L; Chen, Lin X

2018-01-28

The kinetics of photoinduced electron and energy transfer in a family of tetrapyridophenazine-bridged heteroleptic homo- and heterodinuclear copper(i) bis(phenanthroline)/ruthenium(ii) polypyridyl complexes were studied using ultrafast optical and multi-edge X-ray transient absorption spectroscopies. This work combines the synthesis of heterodinuclear Cu(i)-Ru(ii) analogs of the homodinuclear Cu(i)-Cu(i) targets with spectroscopic analysis and electronic structure calculations to first disentangle the dynamics at individual metal sites by taking advantage of the element and site specificity of X-ray absorption and theoretical methods. The excited state dynamical models developed for the heterodinuclear complexes are then applied to model the more challenging homodinuclear complexes. These results suggest that both intermetallic charge and energy transfer can be observed in an asymmetric dinuclear copper complex in which the ground state redox potentials of the copper sites are offset by only 310 meV. We also demonstrate the ability of several of these complexes to effectively and unidirectionally shuttle energy between different metal centers, a property that could be of great use in the design of broadly absorbing and multifunctional multimetallic photocatalysts. This work provides an important step toward developing both a fundamental conceptual picture and a practical experimental handle with which synthetic chemists, spectroscopists, and theoreticians may collaborate to engineer cheap and efficient photocatalytic materials capable of performing coulombically demanding chemical transformations.

Crystal structure and electronic states of Co and Gd ions in a Gd0.4Sr0.6CoO2.85 single crystal

NASA Astrophysics Data System (ADS)

Platunov, M. S.; Dudnikov, V. A.; Orlov, Yu. S.; Kazak, N. V.; Solovyov, L. A.; Zubavichus, Ya. V.; Veligzhanin, A. A.; Dorovatovskii, P. V.; Vereshchagin, S. N.; Shaykhutdinov, K. A.; Ovchinnikov, S. G.

2016-02-01

X-ray diffraction and X-ray absorption near edge structure (XANES) spectra have been measured at the Co K-edge and Gd L 3-edge in GdCoO3 and Gd0.4Sr0.6CoO2.85 cobaltites. The effect of Sr substitution on the crystal structure and electronic and magnetic states of Co3+ ions in a Gd0.4Sr0.6CoO2.85 single crystal has been analyzed. The XANES measurements at the Co K-edge have not showed a noticeable shift of the absorption edge with an increase in the concentration of Sr. This indicates that the effective valence of cobalt does not change. An increase in the intensity of absorption at the Gd L 3-edge is due to an increase in the degree of hybridization of the Gd(5 d) and O(2 p) states. The effect of hole doping on the magnetic properties results in the appearance of the ferromagnetic component and in a significant increase in the magnetic moment.

Infrared to ultraviolet optical response for armchair-edge silicene nanoribbons

NASA Astrophysics Data System (ADS)

Liao, Wenhu; Bao, Hairui; Zhang, Xincheng; Yang, Xuexian; Zhang, Zheng; Zhao, Heping

2016-04-01

We investigate the infrared to ultraviolet optical response for perfect armchair-edge silicene nanoribbons (N-ASiNRs) with N atomic chains under the irradiation of an external electromagnetic field at low temperatures, in the method of dipole-transition theorem for semiconductors. The electronic structure for N-ASiNRs has been manifested from the tight-binding calculations to two distinct families, that is the semiconducting one for N=3l or 3l+1 (l is a positive integer) and metallic one for N=3l+2. The dipole-transition probabilities from the valence subbands to the smaller indexed conduction ones for semiconducting 9-/10- and metallic 11-ASiNRs have been demonstrated to be continuously increasing, while those to the larger indexed conduction subbands are firstly increasing and then decreasing. Both the semiconducting 9-/10- and metallic 11-ASiNRs have been found to have a wide (from 0.50 to 3.20 eV) absorption spectrum, refractive index, and extinction coefficient at the vicinity of K-point. The optical response for semiconducting 9-/10-ASiNRs is observed to be from the transitions between the valence and conduction subbands with the same and/or different indices, while that for metallic 11-ASiNR may be originated from the different indexed valence and conduction subbands. The obtained results are believed to be of importance in the design of the silicene-based nano-optoelectronic devices.

Structural, compositional, optical and colorimetric characterization of TiN-nanoparticles

NASA Astrophysics Data System (ADS)

Reinholdt, A.; Pecenka, R.; Pinchuk, A.; Runte, S.; Stepanov, A. L.; Weirich, Th. E.; Kreibig, U.

2004-10-01

We present results of an investigation of TiN nanoparticles, which were produced by laser ablation/evaporation and adiabatic expansion with the nanoparticle beam apparatus LUCAS. Compositional and structural characterization, using secondary ion mass spectrometry (SIMS), electron energy loss spectroscopy (EELS), X-ray diffraction (XRD) and selected area electron diffraction (SAED), revealed that crystalline and almost stoichiometric particles were formed and that they are susceptible to oxidation. Furthermore, transmission electron microscopy (TEM) analysis showed that TiN nanoparticles exhibit cuboid shapes. The size distributions were obtained using the edge length as parameter. They are fairly broad and the mean particle diameter depends on the seeding gas flow (the pressure) that is applied to the ablation chamber during production. In situ optical transmission spectra of the TiN nanoparticles deposited on a quartz substrate indicate a pronounced single Mie resonance at around 1.7 eV and an absorption flank starting at approximately 3.0 eV. The experimental optical extinction spectra of different samples were fitted using Mie theory calculations. The dielectric function of bulk TiN was modified to account for size and interface damping of the Mie resonance. Due to the distinct absorption band, TiN may be used as a color pigment. The dependence of the color stimulus on the extinction cross-section as well as on the product of the particle concentration and the sample thickness were examined. Chromaticity coordinates were derived according to the CIE 1976 (L^*a^*b^*) color space from the in situ optical transmission spectra.

Femtosecond time-resolved X-ray absorption spectroscopy of anatase TiO2 nanoparticles using XFEL

PubMed Central

Obara, Yuki; Ito, Hironori; Ito, Terumasa; Kurahashi, Naoya; Thürmer, Stephan; Tanaka, Hiroki; Katayama, Tetsuo; Togashi, Tadashi; Owada, Shigeki; Yamamoto, Yo-ichi; Karashima, Shutaro; Nishitani, Junichi; Yabashi, Makina; Suzuki, Toshinori; Misawa, Kazuhiko

2017-01-01

The charge-carrier dynamics of anatase TiO2 nanoparticles in an aqueous solution were studied by femtosecond time-resolved X-ray absorption spectroscopy using an X-ray free electron laser in combination with a synchronized ultraviolet femtosecond laser (268 nm). Using an arrival time monitor for the X-ray pulses, we obtained a temporal resolution of 170 fs. The transient X-ray absorption spectra revealed an ultrafast Ti K-edge shift and a subsequent growth of a pre-edge structure. The edge shift occurred in ca. 100 fs and is ascribed to reduction of Ti by localization of generated conduction band electrons into shallow traps of self-trapped polarons or deep traps at penta-coordinate Ti sites. Growth of the pre-edge feature and reduction of the above-edge peak intensity occur with similar time constants of 300–400 fs, which we assign to the structural distortion dynamics near the surface. PMID:28713842

Systems having optical absorption layer for mid and long wave infrared and methods for making the same

DOEpatents

Kuzmenko, Paul J

2013-10-01

An optical system according to one embodiment includes a substrate; and an optical absorption layer coupled to the substrate, wherein the optical absorption layer comprises a layer of diamond-like carbon, wherein the optical absorption layer absorbs at least 50% of mid wave infrared light (3-5 .mu.m wavelength) and at least 50% of long wave infrared light (8-13 .mu.m wavelength). A method for applying an optical absorption layer to an optical system according to another embodiment includes depositing a layer of diamond-like carbon of an optical absorption layer above a substrate using plasma enhanced chemical vapor deposition, wherein the optical absorption layer absorbs at least 50% of mid wave infrared light (3-5 .mu.m wavelength) and at least 50% of long wave infrared light (8-13 .mu.m wavelength). Additional systems and methods are also presented.

Oxide ion diffusion mechanism related to Co and Fe ions in (Ba0.5Sr0.5)(Co0.8Fe0.2)O3-δ using in-situ X-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Itoh, Takanori; Imai, Hideto

2018-03-01

The time changes of the white line and pre-edge intensities of Co and Fe K-edge in (Ba0.5Sr0.5)(Co0.8Fe0.2)O3-δ (BSCF) were observed to estimate the oxide ion diffusion related to Co and Fe ions by using in - situ X-ray absorption spectroscopy (XAS) during oxidation. The 20 μm self-standing BSCF film was prepared for in - situ XAS measurements. The time changes of absorption were fitted to the exponential decay function with two terms. The longer relaxation time (τ), related to the oxide ion diffusion during the oxidation of BSCF, is dependent on temperature. The oxide ion diffusion coefficients (D) were calculated from the τ s estimated by in - situ XAS. The values of the activation energy (Ea) for D related to Co K-edge white line, Co pre-edge, and Fe pre-edge were 1.8-2.0 eV. The value of Ea for D related to Fe K-edge white line, however, was higher than other absorption values at approximately 2.3 eV. We discussed the oxide ion diffusion mechanism related to Co and Fe ions in BSCF using in - situ XAS.

Development of variable-magnification X-ray Bragg optics.

PubMed

Hirano, Keiichi; Yamashita, Yoshiki; Takahashi, Yumiko; Sugiyama, Hiroshi

2015-07-01

A novel X-ray Bragg optics is proposed for variable-magnification of an X-ray beam. This X-ray Bragg optics is composed of two magnifiers in a crossed arrangement, and the magnification factor, M, is controlled through the azimuth angle of each magnifier. The basic properties of the X-ray optics such as the magnification factor, image transformation matrix and intrinsic acceptance angle are described based on the dynamical theory of X-ray diffraction. The feasibility of the variable-magnification X-ray Bragg optics was verified at the vertical-wiggler beamline BL-14B of the Photon Factory. For X-ray Bragg magnifiers, Si(220) crystals with an asymmetric angle of 14° were used. The magnification factor was calculated to be tunable between 0.1 and 10.0 at a wavelength of 0.112 nm. At various magnification factors (M ≥ 1.0), X-ray images of a nylon mesh were observed with an air-cooled X-ray CCD camera. Image deformation caused by the optics could be corrected by using a 2 × 2 transformation matrix and bilinear interpolation method. Not only absorption-contrast but also edge-contrast due to Fresnel diffraction was observed in the magnified images.

Full-potential theoretical investigations of electron inelastic mean free paths and extended x-ray absorption fine structure in molybdenum.

PubMed

Chantler, C T; Bourke, J D

2014-04-09

X-ray absorption fine structure (XAFS) spectroscopy is one of the most robust, adaptable, and widely used structural analysis tools available for a range of material classes from bulk solids to aqueous solutions and active catalytic structures. Recent developments in XAFS theory have enabled high-accuracy calculations of spectra over an extended energy range using full-potential cluster modelling, and have demonstrated particular sensitivity in XAFS to a fundamental electron transport property-the electron inelastic mean free path (IMFP). We develop electron IMFP theory using a unique hybrid model that simultaneously incorporates second-order excitation losses, while precisely accounting for optical transitions dictated by the complex band structure of the solid. These advances are coupled with improved XAFS modelling to determine wide energy-range absorption spectra for molybdenum. This represents a critical test case of the theory, as measurements of molybdenum K-edge XAFS represent the most accurate determinations of XAFS spectra for any material. We find that we are able to reproduce an extended range of oscillatory structure in the absorption spectrum, and demonstrate a first-time theoretical determination of the absorption coefficient of molybdenum over the entire extended XAFS range utilizing a full-potential cluster model.

Optical panel system including stackable waveguides

DOE Office of Scientific and Technical Information (OSTI.GOV)

DeSanto, Leonard; Veligdan, James T.

An optical panel system including stackable waveguides is provided. The optical panel system displays a projected light image and comprises a plurality of planar optical waveguides in a stacked state. The optical panel system further comprises a support system that aligns and supports the waveguides in the stacked state. In one embodiment, the support system comprises at least one rod, wherein each waveguide contains at least one hole, and wherein each rod is positioned through a corresponding hole in each waveguide. In another embodiment, the support system comprises at least two opposing edge structures having the waveguides positioned therebetween, whereinmore » each opposing edge structure contains a mating surface, wherein opposite edges of each waveguide contain mating surfaces which are complementary to the mating surfaces of the opposing edge structures, and wherein each mating surface of the opposing edge structures engages a corresponding complementary mating surface of the opposite edges of each waveguide.« less

Optical panel system including stackable waveguides

DOEpatents

DeSanto, Leonard; Veligdan, James T.

2007-03-06

An optical panel system including stackable waveguides is provided. The optical panel system displays a projected light image and comprises a plurality of planar optical waveguides in a stacked state. The optical panel system further comprises a support system that aligns and supports the waveguides in the stacked state. In one embodiment, the support system comprises at least one rod, wherein each waveguide contains at least one hole, and wherein each rod is positioned through a corresponding hole in each waveguide. In another embodiment, the support system comprises at least two opposing edge structures having the waveguides positioned therebetween, wherein each opposing edge structure contains a mating surface, wherein opposite edges of each waveguide contain mating surfaces which are complementary to the mating surfaces of the opposing edge structures, and wherein each mating surface of the opposing edge structures engages a corresponding complementary mating surface of the opposite edges of each waveguide.

Interstellar X-Ray Absorption Spectroscopy of the Crab Pulsar with the LETGS

NASA Technical Reports Server (NTRS)

Paerels, Frits; Weisskopf, Martin C.; Tennant, Allyn F.; ODell, Stephen L.; Swartz, Douglas A.; Kahn, Steven M.; Behar, Ehud; Becker, Werner; Whitaker, Ann F. (Technical Monitor)

2001-01-01

We study the interstellar X-ray absorption along the line of sight to the Crab Pulsar. The Crab was observed with the Low Energy Transmission Grating Spectrometer on the Chandra X-ray Observatory, and the pulsar, a point source, produces a full resolution spectrum. The continuum spectrum appears smooth, and we compare its parameters with other measurements of the pulsar spectrum. The spectrum clearly shows absorption edges due to interstellar Ne, Fe, and O. The O edge shows spectral structure that is probably due to O bound in molecules or dust. We search for near-edge structure (EXAFS) in the O absorption spectrum. The Fe L absorption spectrum is largely due to a set of unresolved discrete n=2-3 transitions in neutral or near-neutral Fe, and we analyze it using a new set of dedicated atomic structure calculations, which provide absolute cross sections. In addition to being interesting in its own right, the ISM absorption needs to be understood in quantitative detail in order to derive spectroscopic constraints on possible soft thermal radiation from the pulsar.

Fluorescence and absorption spectroscopy for warm dense matter studies and ICF plasma diagnostics

DOE PAGES

Hansen, Stephanie B.; Harding, Eric C.; Knapp, Patrick F.; ...

2018-03-07

The burning core of an inertial confinement fusion (ICF) plasma produces bright x-rays at stagnation that can directly diagnose core conditions essential for comparison to simulations and understanding fusion yields. These x-rays also backlight the surrounding shell of warm, dense matter, whose properties are critical to understanding the efficacy of the inertial confinement and global morphology. In this work, we show that the absorption and fluorescence spectra of mid-Z impurities or dopants in the warm dense shell can reveal the optical depth, temperature, and density of the shell and help constrain models of warm, dense matter. This is illustrated bymore » the example of a high-resolution spectrum collected from an ICF plasma with a beryllium shell containing native iron impurities. Lastly, analysis of the iron K-edge provides model-independent diagnostics of the shell density (2.3 × 10 24 e/cm 3) and temperature (10 eV), while a 12-eV red shift in Kβ and 5-eV blue shift in the K-edge discriminate among models of warm dense matter: Both shifts are well described by a self-consistent field model based on density functional theory but are not fully consistent with isolated-atom models using ad-hoc density effects.« less

Deriving depth-dependent light escape efficiency and optical Swank factor from measured pulse height spectra of scintillators.

PubMed

Howansky, Adrian; Peng, Boyu; Lubinsky, Anthony R; Zhao, Wei

2017-03-01

Pulse height spectroscopy has been used by investigators to deduce the imaging properties of scintillators. Pulse height spectra (PHS) are used to compute the Swank factor, which describes the variation in scintillator light output per x-ray interaction. The spread in PHS measured below the K-edge is related to the optical component of the Swank factor, i.e., variations in light escape efficiency from different depths of x-ray interaction in the scintillator, denoted ε¯(z). Optimizing scintillators for medical imaging applications requires understanding of these optical properties, as they determine tradeoffs between parameters such as x-ray absorption, light yield, and spatial resolution. This work develops a model for PHS acquisition such that the effect of measurement uncertainty can be removed. This method allows ε¯(z) to be quantified on an absolute scale and permits more accurate estimation of the optical Swank factor of scintillators. The pulse height spectroscopy acquisition chain was modeled as a linear system of stochastic gain stages. Analytical expressions were derived for signal and noise propagation through the PHS chain, accounting for deterministic and stochastic aspects of x-ray absorption, scintillation, and light detection with a photomultiplier tube. The derived expressions were used to calculate PHS of thallium-doped cesium iodide (CsI) scintillators using parameters that were measured, calculated, or known from literature. PHS were measured at 25 and 32 keV of CsI samples designed with an optically reflective or absorptive backing, with or without a fiber-optic faceplate (FOP), and with thicknesses ranging from 150-1000 μm. Measured PHS were compared with calculated PHS, then light escape model parameters were varied until measured and modeled results reached agreement. Resulting estimates of ε¯(z) were used to calculate each scintillator's optical Swank factor. For scintillators of the same optical design, only minor differences in light escape efficiency were observed between samples with different thickness. As thickness increased, escape efficiency decreased by up to 20% for interactions furthest away from light collection. Optical design (i.e., backing and FOP) predominantly affected the magnitude and relative variation in ε¯(z). Depending on interaction depth and scintillator thickness, samples with an absorptive backing and FOP were estimated to yield 4.1-13.4 photons/keV. Samples with a reflective backing and FOP yielded 10.4-18.4 keV -1 , while those with a reflective backing and no FOP yielded 29.5-52.0 keV -1 . Optical Swank factors were approximately 0.9 and near-unity in samples featuring an absorptive or reflective backing, respectively. This work uses a modeling approach to remove the noise introduced by the measurement apparatus from measured PHS. This method allows absolute quantification of ε¯(z) and more accurate estimation of the optical Swank factor of scintillators. The method was applied to CsI scintillators with different thickness and optical design, and determined that optical design more strongly affects ε¯(z) and Swank factor than differences in CsI thickness. Despite large variations in ε¯(z) between optical designs, the Swank factor of all evaluated samples is above 0.9. Information provided by this methodology can help validate Monte Carlo simulations of structured CsI and optimize scintillator design for x-ray imaging applications. © 2016 American Association of Physicists in Medicine.

Deriving depth-dependent light escape efficiency and optical Swank factor from measured pulse height spectra of scintillators

PubMed Central

Howansky, Adrian; Peng, Boyu; Lubinsky, Anthony R.; Zhao, Wei

2017-01-01

Purpose Pulse height spectroscopy has been used by investigators to deduce the imaging properties of scintillators. Pulse height spectra (PHS) are used to compute the Swank factor, which describes the variation in scintillator light output per x-ray interaction. The spread in PHS measured below the K-edge is related to the optical component of the Swank factor, i.e. variations in light escape efficiency from different depths of x-ray interaction in the scintillator, denoted ε̄(z). Optimizing scintillators for medical imaging applications requires understanding of these optical properties, as they determine tradeoffs between parameters such as x-ray absorption, light yield, and spatial resolution. This work develops a model for PHS acquisition such that the effect of measurement uncertainty can be removed. This method allows ε̄(z) to be quantified on an absolute scale and permits more accurate estimation of the optical Swank factor of scintillators. Methods The pulse height spectroscopy acquisition chain was modeled as a linear system of stochastic gain stages. Analytical expressions were derived for signal and noise propagation through the PHS chain, accounting for deterministic and stochastic aspects of x-ray absorption, scintillation, and light detection with a photomultiplier tube. The derived expressions were used to calculate PHS of thallium-doped cesium iodide (CsI) scintillators using parameters that were measured, calculated, or known from literature. PHS were measured at 25 and 32 keV of CsI samples designed with an optically-reflective or absorptive backing, with or without a fiber-optic faceplate (FOP), and with thicknesses ranging from 150–1000 μm. Measured PHS were compared with calculated PHS, then light escape model parameters were varied until measured and modeled results reached agreement. Resulting estimates of ε̄(z) were used to calculate each scintillator’s optical Swank factor. Results For scintillators of the same optical design, only minor differences in light escape efficiency were observed between samples with different thickness. As thickness increased, escape efficiency decreased by up to 20% for interactions furthest away from light collection. Optical design (i.e. backing and FOP) predominantly affected the magnitude and relative variation in ε̄(z). Depending on interaction depth and scintillator thickness, samples with an absorptive backing and FOP were estimated to yield 4.1–13.4 photons/keV. Samples with a reflective backing and FOP yielded 10.4–18.4 keV−1, while those with a reflective backing and no FOP yielded 29.5–52.0 keV−1. Optical Swank factors were approximately 0.9 and near-unity in samples featuring an absorptive or reflective backing, respectively. Conclusions This work uses a modeling approach to remove the noise introduced by the measurement apparatus from measured PHS. This method allows absolute quantification of ε̄(z) and more accurate estimation of the optical Swank factor of scintillators. The method was applied to CsI scintillators with different thickness and optical design, and determined that optical design more strongly affects ε̄(z) and Swank factor than differences in CsI thickness. Despite large variations in ε̄(z) between optical designs, the Swank factor of all evaluated samples is above 0.9. Information provided by this methodology can help validate Monte Carlo simulations of structured CsI and optimize scintillator design for x-ray imaging applications. PMID:28039881

Band-edge absorption coefficients from photoluminescence in semiconductor multiple quantum wells

NASA Technical Reports Server (NTRS)

Kost, Alan; Zou, Yao; Dapkus, P. D.; Garmire, Elsa; Lee, H. C.

1989-01-01

A novel approach to determining absorption coefficients in thin films using luminescence is described. The technique avoids many of the difficulties typically encountered in measurements of thin samples, Fabry-Perot effects, for example, and can be applied to a variety of materials. The absorption edge for GaAs/AlGaAs multiple quantum well structures, with quantum well widths ranging from 54 to 193 A is examined. Urbach (1953) parameters and excitonic linewidths are tabulated.

Tailoring optical properties of TiO2-Cr co-sputtered films using swift heavy ions

NASA Astrophysics Data System (ADS)

Gupta, Ratnesh; Sen, Sagar; Phase, D. M.; Avasthi, D. K.; Gupta, Ajay

2018-05-01

Effect of 100 MeV Au7+ ion irradiation on structure and optical properties of Cr-doped TiO2 films has been studied using X-ray photoelectron spectroscopy, soft X-ray absorption spectroscopy, UV-Visible spectroscopy, X-ray reflectivity, and atomic force microscopy. X-ray reflectivity measurement implied that film thickness reduces as a function of ion fluence while surface roughness increases. The variation in surface roughness is well correlated with AFM results. Ion irradiation decreases the band gap energy of the film. Swift heavy ion irradiation enhances the oxygen vacancies in the film, and the extra electrons in the vacancies act as donor-like states. In valence band spectrum, there is a shift in the Ti3d peak towards lower energies and the shift is equivalent to the band gap energy obtained from UV spectrum. Evidence for band bending is also provided by the corresponding Ti XPS peak which exhibits a shift towards lower energy due to the downward band bending. X-ray absorption studies on O Kand Cr L3,2 edges clearly indicate that swift heavy ion irradiation induces formation of Cr-clusters in TiO2 matrix.

The effect of precursor on the optical properties of carbon quantum dots synthesized by hydrothermal/solvothermal method

NASA Astrophysics Data System (ADS)

Mozdbar, Afsaneh; Nouralishahi, Amideddin; Fatemi, Shohreh; Mirakhori, Ghazaleh

2018-01-01

In the recent decade, Carbon Quantum Dots (CQDs) have attracted lots of attention due to their excellent properties such as tunable photoluminescence, high chemical stability, low toxicity, and biocompatibility. Among all synthesis methods, the hydrothermal/solvothermal rout has been considered as one of the most common and simplest method. The type of precursors can affect the size of CQDs and determine their surface functional groups, the essential properties that deeply influence the optical specifications. In this work, the effect of different precursors on the final properties of carbon quantum dots is investigated. The carbon quantum dots were synthesized by hydrothermal/solvothermal rout using citric acid, thiourea, ethylamine and monoethanolamine as precursors in almost the same conditions of time and temperature. Resultant CQDs were characterized by using FTIR, UV-Visible Spectroscopy and Photoluminescence (PL) analysis. The results of UV-Vis spectroscopy showed that quantum dots synthesized from monoethanolamine have wider absorption band rather than the CQDs from other precursors and the absorption edge shifted from about 270 nm for ethylamine to about 470 nm in monoethanolamine. Furthermore, the results demonstrate that using citric acid and monoethanolamine as precursor improved production efficiency and emission quantum yield of the carbon dots.

Tuning the optical properties of ZnO nanorods by variation of precursor concentration through hydrothermal method

NASA Astrophysics Data System (ADS)

Kumari, Lakshmi; Kar, Asit Kumar

2018-05-01

ZnO nanorods with varying precursor concentration have been successfully synthesized by the hydrothermal method. The effect of the precursor concentration on the structural, morphological and optical properties of the resulting nanorods was investigated by means of X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), UV-Vis spectroscopy and photoluminescence (PL) spectroscopy. The crystalline structural characterization demonstrated that the synthesized materials crystallize in pure ZnO wurtzite structure without any other secondary phase. SEM micrographs demonstrate nanorod type features in all the samples. In addition, they show that increase of precursor concentration changes the length and diameter of nanorods. The UV-Vis studies show a strong absorption band in UV region at 373 nm attributed to the band-edge absorption of wurtzite hexagonal ZnO, blue shifted relative to its bulk form (380 nm). The PL spectra of obtained nanorods excited at 360 nm present broad visible emission. Moreover, as the visible region (from 510 to 550 nm) is concerned, it is speculated that the increase of the precursor concentration affects strongly the kind of interstitial defects (Oi, Zni and Vo) formed in ZnO nanorods. The luminescence intensity decreases with the increase of precursor concentration.

Synthesis and characterization of surface-modified colloidal CdTe Quantum Dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rajh, T.; Micic, O.I.; Nozik, A.J.

1993-11-18

The controlled synthesis of quantized colloidal CdTe nanocrystals (in aqueous solutions) with narrow size distributions and stabilized against rapid oxidation was achieved by capping the quantum dot particles with 3-mercapto-1,2-propanediol. Nanocrystals (i.e., quantum dots) with mean diameters of 20, 25, 35, and 40 A were produced. Optical absorption spectra showed strong excitonic peaks at the smallest size; the absorption coefficient was shown to follow an inverse cube dependence on particle diameter, while the extinction coefficient per particle remained constant. The quantum yield for photoluminescence increased with decreasing particle size and reached 20% at 20 A. The valence band edges ofmore » the CdTe quantum dots were determined by pulse radiolysis experiments (hole injection from oxidizing radicals); the bandgaps were estimated from pulse radiolysis data (redox potentials of hole and electron injecting radicals) and from the optical spectra. The dependence of the CdTe bandgap on quantum dot size was found to be much weaker than predicted by the effective mass approximation; this result is consistent with recently published theoretical calculations by several groups. 36 refs., 5 figs., 1 tab.« less

Realization of single-phase BaSi2 films by vacuum evaporation with suitable optical properties and carrier lifetime for solar cell applications

NASA Astrophysics Data System (ADS)

Hara, Kosuke O.; Nakagawa, Yoshihiko; Suemasu, Takashi; Usami, Noritaka

2015-07-01

We have realized BaSi2 films by a simple vacuum evaporation technique for solar cell applications. X-ray diffraction analysis shows that single-phase BaSi2 films are formed on alkali-free glass substrates at 500 and 600 °C while impurity phases coexist on quartz or soda-lime glass substrates or at a substrate temperature of 400 °C. The mechanism of film growth is discussed by analyzing the residue on the evaporation boat. An issue on the fabricated films is cracking due to thermal mismatch, as observed by secondary electron microscopy. Optical characterizations by transmittance and reflectance spectroscopy show that the evaporated films have high absorption coefficients, reaching 2 × 104 cm-1 for a photon energy of 1.5 eV, and have indirect absorption edges of 1.14-1.21 eV, which are suitable for solar cells. The microwave-detected photoconductivity decay measurement reveals that the carrier lifetime is approximately 0.027 µs, corresponding to the diffusion length of 0.84 µm, which suggests the potential effective usage of photoexcited carriers.

Optical and electrical properties of copper-incorporated ZnS films applicable as solar cell absorbers

NASA Astrophysics Data System (ADS)

Mehrabian, M.; Esteki, Z.; Shokrvash, H.; Kavei, G.

2016-10-01

Un-doped and Cu-doped ZnS (ZnS:Cu) thin films were synthesized by Successive Ion Layer Absorption and Reaction (SILAR) method. The UV-visible absorption studies have been used to calculate the band gap values of the fabricated ZnS:Cu thin films. It was observed that by increasing the concentration of Cu2+ ions, the Fermi level moves toward the edge of the valence band of ZnS. Photoluminescence spectra of un-doped and Cu-doped ZnS thin films was recorded under 355 nm. The emission spectrum of samples has a blue emission band at 436 nm. The peak positions of the luminescence showed a red shift as the Cu2+ ion concentration was increased, which indicates that the acceptor level (of Cu2+) is getting close to the valence band of ZnS.

A Cryogenic Infrared Calibration Target

NASA Technical Reports Server (NTRS)

Wollack, E. J.; Kinzer, R. E., Jr.; Rinehart, S. A.

2014-01-01

A compact cryogenic calibration target is presented that has a peak diffuse reflectance, R < or = 0.003, from 800 to 4800/cm (12 - 2 microns ). Upon expanding the spectral range under consideration to 400-10,000/ cm-1 (25 - 1 microns) the observed performance gracefully degrades to R < or = 0.02 at the band edges. In the implementation described, a high-thermal-conductivity metallic substrate is textured with a pyramidal tiling and subsequently coated with a thin lossy dielectric coating that enables high absorption and thermal uniformity across the target. The resulting target assembly is lightweight, has a low-geometric profile, and has survived repeated thermal cycling from room temperature to approx.4 K. Basic design considerations, governing equations, and test data for realizing the structure described are provided. The optical properties of selected absorptive materials-Acktar Fractal Black, Aeroglaze Z306, and Stycast 2850 FT epoxy loaded with stainless steel powder-are characterized and presented

Efficient water reduction with gallium phosphide nanowires

PubMed Central

Standing, Anthony; Assali, Simone; Gao, Lu; Verheijen, Marcel A.; van Dam, Dick; Cui, Yingchao; Notten, Peter H. L.; Haverkort, Jos E. M.; Bakkers, Erik P. A. M.

2015-01-01

Photoelectrochemical hydrogen production from solar energy and water offers a clean and sustainable fuel option for the future. Planar III/V material systems have shown the highest efficiencies, but are expensive. By moving to the nanowire regime the demand on material quantity is reduced, and new materials can be uncovered, such as wurtzite gallium phosphide, featuring a direct bandgap. This is one of the few materials combining large solar light absorption and (close to) ideal band-edge positions for full water splitting. Here we report the photoelectrochemical reduction of water, on a p-type wurtzite gallium phosphide nanowire photocathode. By modifying geometry to reduce electrical resistance and enhance optical absorption, and modifying the surface with a multistep platinum deposition, high current densities and open circuit potentials were achieved. Our results demonstrate the capabilities of this material, even when used in such low quantities, as in nanowires. PMID:26183949

Synthesis of Zn1-xCdxO Nanoparticles by Co-Precipitation: Structural, Optical and Photodetection Analysis

NASA Astrophysics Data System (ADS)

Jacob, Anju Anna; Balakrishnan, L.; Meher, S. R.; Shambavi, K.; Alex, Z. C.

Zinc oxide (ZnO) is a wide bandgap semiconductor with excellent photoresponse in ultra-violet (UV) regime. Tuning the bandgap of ZnO by alloying with cadmium can shift its absorption cutoff wavelength from UV to visible (Vis) region. Our work aims at synthesis of Zn1-xCdxO nanoparticles by co-precipitation method for the fabrication of photodetector. The properties of nanoparticles were analyzed using X-ray diffractometer, UV-Vis spectrometer, scanning electron microscope and energy dispersive spectrometer. The incorporation of cadmium without altering the wurtzite structure resulted in the red shift in the absorption edge of ZnO. Further, the photoresponse characteristics of Zn1-xCdxO nanopowders were investigated by fabricating photodetectors. It has been found that with Cd alloying the photosensitivity was increased in the UVA-violet as well in the blue region.

Hysteresis and the role of nucleation and growth in the hydrogenation of Mg nanolayers.

PubMed

Mooij, Lennard; Dam, Bernard

2013-02-28

We investigated the hydrogenation of 3 and 10 nm Mg layers sandwiched between Ti using an optical transmission technique (hydrogenography). We observe in situ the two dimensional nucleation and growth of single hydride domains of up to several millimeters in diameter. The low density of nuclei points to preferential nucleation at heterogeneous sites. From an analysis of the growth kinetics we deduce an extremely large edge boundary energy, which we relate to the plastic deformations inherent to the 30% volume expansion of the MgH(2). We find that the nucleation and growth process affects the hysteresis between absorption and desorption. Especially, the absorption branch can be lowered when nucleation barriers are removed. Our results show that when discussing the effect of nano-structuring on hydrogenation it may be quite complex to distinguish the thermodynamic and kinetic effects involved.

Complex doping chemistry owing to Mn incorporation in nanocrystalline anatase TiO2 powders.

PubMed

Guo, Meilan; Gao, Yun; Shao, G

2016-01-28

Mn-doped TiO2 powders with a wide range of nominal doping levels were fabricated using a one-step hydrothermal method followed by 400 °C annealing. Anatase powders with a uniform size distribution below 10 nm were obtained. The maximum solubility of Mn in the TiO2 lattice was around 30%, beyond which the Mn3O4 compound appeared as a secondary phase. The optical absorption edges for Mn-doped anatase TiO2 were red-shifted effectively through increasing Mn content. Alloying chemistry and associated elemental valences were elaborated through combining X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and theoretical simulation in the framework of density functional theory (DFT). The results showed that the Mn species exhibited mixed valence states of 3+ and 4+ in anatase TiO2, with the latter being the key to remarkable photocatalytic performance.

A cryogenic infrared calibration target

NASA Astrophysics Data System (ADS)

Wollack, E. J.; Kinzer, R. E.; Rinehart, S. A.

2014-04-01

A compact cryogenic calibration target is presented that has a peak diffuse reflectance, R ⩽ 0.003, from 800 to 4800 cm-1 (12 - 2 μm). Upon expanding the spectral range under consideration to 400-10 000 cm-1 (25 - 1 μm) the observed performance gracefully degrades to R ⩽ 0.02 at the band edges. In the implementation described, a high-thermal-conductivity metallic substrate is textured with a pyramidal tiling and subsequently coated with a thin lossy dielectric coating that enables high absorption and thermal uniformity across the target. The resulting target assembly is lightweight, has a low-geometric profile, and has survived repeated thermal cycling from room temperature to ˜4 K. Basic design considerations, governing equations, and test data for realizing the structure described are provided. The optical properties of selected absorptive materials—Acktar Fractal Black, Aeroglaze Z306, and Stycast 2850 FT epoxy loaded with stainless steel powder—are characterized and presented.

Charge transfer transitions in optical spectra of NicMg1-cO oxides

NASA Astrophysics Data System (ADS)

Churmanov, V. N.; Sokolov, V. I.; Pustovarov, V. A.; Gruzdev, N. B.; Uimin, M. A.; Byzov, I. V.; Druzhinin, A. V.; Korolyov, A. V.; Kim, G. A.; Zatsepin, A. F.; Kuznetsova, J. A.

2017-04-01

Radiative recombination with charge transfer was observed in NicMg1-cO (c = 0.008) oxides over the 8-300 K temperature range. This recombination occurs as a result of strong hybridization of the Ni2+ ion 3d-states and the band states. The charge transfer radiation excitation spectrum shows vibrational LO repeats of two exciton lines having charge transfer energy intervals of about 35 meV. The NiO nanocrystal absorption spectrum shows two weak peaks with energies of 3.510 and 3.543 eV, which are highly dependent on temperature. They are interpreted as charge transfer excitons at the edge of NiO fundamental absorption. The distance between the charge transfer exciton lines in the NicMg1-cO oxide spectra are caused by spin-orbit splitting of the valence band peak that was formed by the p-states of the oxygen ion.

First-principles study of direct and narrow band gap semiconducting β -CuGaO 2

DOE PAGES

Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang; ...

2015-04-16

Semiconducting oxides have attracted much attention due to their great stability in air or water and the abundance of oxygen. Recent success in synthesizing a metastable phase of CuGaO 2 with direct narrow band gap opens up new applications of semiconducting oxides as absorber layer for photovoltaics. Using first-principles density functional theory calculations, we investigate the thermodynamic and mechanical stabilities as well as the structural and electronic properties of the β-CuGaO 2 phase. Our calculations show that the β-CuGaO 2 structure is dynamically and mechanically stable. The energy band gap is confirmed to be direct at the Γ point ofmore » Brillouin zone. In conclusion, the optical absorption occurs right at the band gap edge and the density of states near the valance band maximum is large, inducing an intense absorption of light as observed in experiment.« less

ACCURATE MODELING OF X-RAY EXTINCTION BY INTERSTELLAR GRAINS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoffman, John; Draine, B. T., E-mail: jah5@astro.princeton.edu, E-mail: draine@astro.princeton.edu

Interstellar abundance determinations from fits to X-ray absorption edges often rely on the incorrect assumption that scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. We show that the consequences of neglecting scattering on the determination of interstellar elemental abundances are modest; however, scattering (along with uncertainties in the grain size distribution) must bemore » taken into account when near-edge extinction fine structure is used to infer dust mineralogy. We advertise the benefits and accuracy of anomalous diffraction theory for both X-ray halo analysis and near edge absorption studies. We present an open source Fortran suite, General Geometry Anomalous Diffraction Theory (GGADT), that calculates X-ray absorption, scattering, and differential scattering cross sections for grains of arbitrary geometry and composition.« less

OPTICAL AND SPECTROSCOPIC STUDIES OF Fe2O3-Bi2O3-B2O3:V2O5 GLASSES

NASA Astrophysics Data System (ADS)

Sanjay; Kishore, N.; Agarwal, A.; Dahiya, S.; Pal, Inder; Kumar, Navin

2013-11-01

The glasses of compositions xFe2O3ṡ (40 - x)Bi2O3ṡ60B2O3ṡ2V2O5 have been prepared by the standard melt-quenching technique. Amorphous nature of these samples is ascertained by XRD patterns. The presence of BO3 and BO4 units is identified by IR spectra of glass samples. The absorption edge (λcut-off) shifts toward longer wavelengths with an increase in Fe2O3 content in the glass matrix. The values of optical band gap energy for indirect allowed and forbidden transitions have been determined and it is found to decrease with increase in transition metal ions. The Urbach's energy is used to characterize the degree of disorder in amorphous solids.

Preparation and Optical Properties of CuS Nanofilms by a Facile Two-Step Process

NASA Astrophysics Data System (ADS)

Cui, Zhankui; Zhou, Junqiang; Ge, Suxiang; Zhao, Hongxiao

CuS nanofilms were prepared by a facile two-step process including chemical bath deposition of Cu nanofilms first and the subsequent thermal sulfuration step. The composition and structure of the samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) and Raman spectroscopy. The optical properties of CuS nanofilms were determined by Ultraviolet-visible (UV-Vis) technique. The results show that the nanofilms composed by Cu spherical nanoparticles were completely transformed to the nanofilms composed by CuS nanosheets when the sulfuration temperature was 350∘C. The light absorption edges of CuS nanofilms exhibit red shift when sulfuration occurred at lower temperature. A plausible growth mechanism related with gas phase reaction for formation of CuS nanofilms was also proposed.

IRAS 22150+6109 - a young B-type star with a large disc

NASA Astrophysics Data System (ADS)

Zakhozhay, Olga V.; Miroshnichenko, Anatoly S.; Kuratov, Kenesken S.; Zakhozhay, Vladimir A.; Khokhlov, Serik A.; Zharikov, Sergey V.; Manset, Nadine

2018-06-01

We present the results of a spectroscopic analysis and spectral energy distribution (SED) modelling of the optical counterpart of the infrared source IRAS 22150+6109. The source was suggested to be a Herbig Be star located in the star-forming region L 1188. Absorption lines in the optical spectrum indicate a spectral type B3, while weak Balmer emission lines reflect the presence of a circumstellar gaseous disc. The star shows no excess radiation in the near-infrared spectral region and a strong excess in the far-infrared that we interpret as radiation from a large disc, the inner edge of which is located very far from the star (550 au) and does not attenuate its radiation. We conclude that IRAS 22150+6109 is an intermediate-mass star that is currently undergoing a short pre-main-sequence evolutionary stage.

Optical transitions of the silicon vacancy in 6H-SiC studied by positron annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Arpiainen, S.; Saarinen, K.; Hautojärvi, P.; Henry, L.; Barthe, M.-F.; Corbel, C.

2002-08-01

Positron annihilation spectroscopy has been applied to identify Si and C vacancies as irradiation-induced defects in 6H-SiC. Si vacancies are shown to have ionization levels at EC-0.6 eV and EC-1.1 eV below the conduction-band edge EC by detecting changes of positron trapping under monochromatic illumination. These levels are attributed to (2-/1-) and (1-/0) ionizations of the isolated Si vacancy. In as-grown n-type 6H-SiC, a native defect complex involving VSi is shown to have an ionization level slightly closer to conduction band at roughly EC-0.3 eV. These results are used further to present microscopic interpretations to effects seen in optical-absorption spectra and to electrical levels observed previously by deep-level transient spectroscopy.

Ag@ZnO core-shell nanoparticles study by first principle: The structural, magnetic and optical properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Hai-Xia; Wang, Xiao-Xu; Beijing Computing Center, Beijing 100094

Ag@ZnO core-shell nanoparticles of around 72 atoms have been investigated by the density functional theory, revealing proving for the first time that the core-shell structure exhibits a shrinkage phenomenon from outer shell in agreement with the other studies in literatures. Our calculations predict that the Ag@ZnO core-shell structure is a ferromagnetic spin polarized state, and the magnetism mainly stems from the spin splitting of 2p electrons of O atoms. In addition, the total and partial DOS of Ag@ZnO indicate that the nanostructure is a half-metallic nanoparticle and has the characters of the p-type semiconductor. Furthermore, the optical properties calculations showmore » that the absorption edge of Ag@ZnO have a red shift and good photocatalysis compare to that of the bulk ZnO. These results of the Ag@ZnO core-shell structure obtain a well agreement with the experimental measurement. - Graphical abstract: Geometric structure of (a) Ag@ZnO core-shell nanostructure; (b) the core of Ag; (c) the shell of ZnO The core-shell nanoparticle Ag@ZnO contains Ag inner core of radius of 4 Å and ZnO outer shell with thickness of 2 Å. Ag@ZnO core-shell nanoparticles of around 72 atoms have been proved for the first time that the core-shell structure exhibit a shrinkage phenomenon from outer shell. Our calculations predict that the Ag@ZnO core-shell structure is a half-metallic nanoparticle and has the characters of the p-type semiconductor. The absorption edge of Ag@ZnO have a red shift and get good photo-catalysis compare to that of the bulk ZnO.« less

Emission and absorption x-ray edges of Li

DOE Office of Scientific and Technical Information (OSTI.GOV)

Callcott, T A; Arakawa, E T; Ederer, D L

1977-01-01

Measurements of the K X-ray absorption and emission edges of Li are reported. They were made with the same spectrometer at the NBS storage ring and serve to establish a 0.1 eV separation between the edges with no possibility of instrument calibration error. These results are compared with recent theories of Almbladh and Mahan describing the effects of incomplete phonon relaxation about the core hole. It is concluded that these theories give a satisfactory explanation of the data.

Quantum dots and nanocomposites.

PubMed

Mansur, Herman Sander

2010-01-01

Quantum dots (QDs), also known as semiconducting nanoparticles, are promising zero-dimensional advanced materials because of their nanoscale size and because they can be engineered to suit particular applications such as nonlinear optical devices (NLO), electro-optical devices, and computing applications. QDs can be joined to polymers in order to produce nanocomposites which can be considered a scientific revolution of the 21st century. One of the fastest moving and most exciting interfaces of nanotechnology is the use of QDs in medicine, cell and molecular biology. Recent advances in nanomaterials have produced a new class of markers and probes by conjugating semiconductor QDs with biomolecules that have affinities for binding with selected biological structures. The nanoscale of QDs ensures that they do not scatter light at visible or longer wavelengths, which is important in order to minimize optical losses in practical applications. Moreover, at this scale, quantum confinement and surface effects become very important and therefore manipulation of the dot diameter or modification of its surface allows the properties of the dot to be controlled. Quantum confinement affects the absorption and emission of photons from the dot. Thus, the absorption edge of a material can be tuned by control of the particle size. This paper reviews developments in the myriad of possibilities for the use of semiconductor QDs associated with molecules producing novel hybrid nanocomposite systems for nanomedicine and bioengineering applications.

Optical Properties of Gallium Arsenide and Indium Gallium Arsenide Quantum Wells and Their Applications to Opto-Electronic Devices.

NASA Astrophysics Data System (ADS)

Huang, Daming

1990-01-01

In this thesis we investigate the optical properties of modulation doped GaAs/AlGaAs and strained-layer undoped InGaAs/GaAs multiple quantum well structures (MQWS). The phenomena studied are the effects of carrier, strain, and the electric field on the absorption of excitons. For GaAs/AlGaAs modulation doped MQWS, the quenching of excitons by free carriers has been demonstrated. The comparison of the experimental results with calculations which consider phase space filling, screening, and exchange interaction showed the phase space filling to be the dominant mechanism responsible for the change of oscillator strength and binding energy of excitons associated with partially filled subband. On the other hand, the screening and exchange interaction are equally important to excitons associated with empty subbands. For InGaAs/GaAs strained-layer MQWS, we have demonstrated that the band edges are dramatically modified by strain. We determined the band discontinuities at InGaAs/GaAs interfaces using optical absorption, and showed that in this structure the heavy holes are confined in InGaAs layers while the light holes are in GaAs layers, in contrast to GaAs/AlGaAs MQWS. We also explore applications of GaAs/AlGaAs and InGaAs/GaAs MQWS to opto-electronic devices. The principle of devices investigated is mainly based on the electric field effect on the excitonic absorption in MQWS (the quantum confined Stark effect). Two examples presented in this thesis are the strained-layer InGaAs/GaAs MQWS electroabsorption modulators grown on GaAs substrates and the GaAs/AlGaAs MQWS reflection modulators grown on Si substrates. The large modulation observed in the absorption coefficient by an electric field is expected to facilitate opto-electronic integration.

Structural, molecular orbital and optical characterizations of solvatochromic mixed ligand copper(II) complex of 5,5-Dimethyl cyclohexanate 1,3-dione and N,N,N',N'N″-pentamethyldiethylenetriamine.

PubMed

Taha, A; Farag, A A M; Ammar, A H; Ahmed, H M

2014-03-25

In this work, a new solvatochromic mononuclear mixed ligand complex with the formula, Cu(DMCHD)(Me5dien)NO3 (where, DMCHD=5,5-Dimethyl cyclohexanate 1,3-dione and (Me5dien)=N,N,N',N'N″-pentamethyldiethylenetriamine was synthesized and characterized by analytical, spectral, magnetic, molar conductance, thermal gravimetric analysis (TGA), X-ray diffraction (XRD) and transmission electron microscope (TEM) measurements. The formation constant-value for copper (II)-DMCHD was found to be much lower than the expected for similar β-diketones, revealing monobasic unidentate nature of this ligand. The d-d absorption bands of the prepared complex exhibit a color changes in various solvent (solvatochromic). Specific and non-specific interactions of solvent molecules with the complex were investigated using Multi Parametric Linear Regression Analysis (MLRA). Structural parameters of the free ligands and their Cu (II) - complex were calculated on the basis of semi-empirical PM3 level and compared with the experimental data. The crystallite size and morphology of Cu(DMCHD)(Me5dien)NO3 were examined using XRD analysis and TEM, revealing that the complex is well crystalline and correspond to the monoclinic crystal structure. The lattice strain and mean crystallite size were estimated by Williamson-Hall (W-H) plot using X-ray diffraction data. The main important absorption parameters such as extinction molar coefficient, oscillator strength and electric dipole strength of the principal optical transitions in the UV-Vis region were calculated. The analysis of absorption coefficient near the fundamental absorption edge reveals that the optical band gaps are direct allowed transitions with values of 2.78 eV and 3.59 eV. The present copper (II) complex was screened for its antimicrobial activity against Staphylococcus Aureus and Bacillus Subtilis as Gram-positive bacteria, Escherichia Coli and Salmonella Typhimurium as Gram-negative bacteria and Candida Albicans as fungus strain. Copyright © 2013 Elsevier B.V. All rights reserved.

Investigation of organic solvents assisted nano magnesium oxide nanoparticles and their structural, morphological, optical and antimicrobial performance

NASA Astrophysics Data System (ADS)

Deepa, B.; Rajendran, V.

2018-01-01

Investigation on the structural, morphological, optical studies and antimicrobial performance of organic solvent assisted magnesium oxide (MgO) nanoparticles. Nanoparticles are in 16-18 nm of grain size prepared by sol-gel method. The XRD studies shows as synthesized products are in cubic phase with periclase structurer. The well disperesd spherical morphology were obtained in SEM and TEM. The organic solvent methanol had profound effects on the size of the nano particles. The optical absorption edge energy was present in UV region and the corresponding band gap energy values are 4.5 and 4.9 eV for water with ethanol and methanol mediated MgO sample respectively. The PL emission spectrum has a emission peak at 340 and 353 nm which is due to surface defects. The obtained MgO nanoparticles showed superior antimicrobial activities for the gram positive, gram negative and fungus strains using the ELISA reader at 450 nm.

Stacked bilayer phosphorene: strain-induced quantum spin Hall state and optical measurement

PubMed Central

Zhang, Tian; Lin, Jia-He; Yu, Yan-Mei; Chen, Xiang-Rong; Liu, Wu-Ming

2015-01-01

Bilayer phosphorene attracted considerable interest, giving a potential application in nanoelectronics owing to its natural bandgap and high carrier mobility. However, very little is known regarding the possible usefulness in spintronics as a quantum spin Hall (QSH) state of material characterized by a bulk energy gap and gapless spin-filtered edge states. Here, we report a strain-induced topological phase transition from normal to QSH state in bilayer phosphorene, accompanied by band-inversion that changes number from 0 to 1, which is highly dependent on interlayer stacking. When the bottom layer is shifted by 1/2 unit-cell along zigzag/armchair direction with respect to the top layer, the maximum topological bandgap 92.5 meV is sufficiently large to realize QSH effect even at room-temperature. An optical measurement of QSH effect is therefore suggested in view of the wide optical absorption spectrum extending to far infra-red, making bilayer phosphorene a promising candidate for opto-spintronic devices. PMID:26370771

Electronic structure and optical properties of iron based chalcogenide FeX2 (X = S, Se, Te) for photovoltaic applications: a first principle study

NASA Astrophysics Data System (ADS)

Ghosh, Anima; Thangavel, R.

2017-11-01

In present work, the electronic structure and optical properties of the FeX2 (X = S, Se, Te) compounds have been evaluated by the density functional theory based on the scalar-relativistic full potential linear augmented plane wave method via Wien2K. From the total energy calculations, it has been found that all the compounds have direct band nature, which determined by iron 3 d states at valance band edge and anion p dominated at conduction band at Γ-point and the fundamental band gap between the valence band and conduction band are estimated 1.40, 1.02 and 0.88 eV respectively with scissor correction for FeS2, FeSe2 and FeTe2 which are close to the experimental values. The optical properties such as dielectric tensor components and the absorption coefficient of these materials are determined in order to investigate their usefulness in photovoltaic applications.

The optical and electrochemical properties of electrochromic films: WO3+xV2O5

NASA Astrophysics Data System (ADS)

Li, Zhuying; Liu, Hui; Liu, Ye; Yang, Shaohong; Liu, Yan; Wang, Chong

2010-05-01

Since Deb's experiment in 1973 on the electrochromic effect, transmissive electrochromic films exhibit outstanding potential as energy efficient window controls which allow dynamic control of the solar energy transmission. These films with non-volatile memory, once in the coloured state, remain in the same state even after removal of the field. The optical and electrochemical properties of electrochromic films using magnetron sputter deposition tungsten oxide thin films and vanadium oxide doped tungsten-vanadium oxide thin films on ITO coated glass were investigated. From the UV region of the transmittance spectra, the optical band gap energy from the fundamental absorption edge can be determined. And the Cyclic voltammograms of these thin films in 1 mol LiClO4 propylene carbonate electrolyte (LIPC) were measured and analysed. The anode electrochromic V2O5 doped cathode electrochromic WO3 could make films colour changing while the transmittance of films keeped invariance. These performance characteristics make tungstenvanadium oxide colour changeably thin films are suitable for electrochromic windows applications.

Effect of impurity resonant states on optical and thermoelectric properties on the surface of a topological insulator.

PubMed

Zhong, Min; Li, Shuai; Duan, Hou-Jian; Hu, Liang-Bin; Yang, Mou; Wang, Rui-Qiang

2017-06-21

We investigate the thermoelectric effect on a topological insulator surface with particular interest in impurity-induced resonant states. To clarify the role of the resonant states, we calculate the dc and ac conductivities and the thermoelectric coefficients along the longitudinal direction within the full Born approximation. It is found that at low temperatures, the impurity resonant state with strong energy de-pendence can lead to a zero-energy peak in the dc conductivity, whose height is sensitively dependent on the strength of scattering potential, and even can reverse the sign of the thermopower, implying the switching from n- to p-type carriers. Also, we exhibit the thermoelectric signatures for the filling process of a magnetic band gap by the resonant state. We further study the impurity effect on the dynamic optical conductivity, and find that the resonant state also generates an optical conductivity peak at the absorption edge for the interband transition. These results provide new perspectives for understanding the doping effect on topological insulator materials.

Photochemically Generated Thiyl Free Radicals Observed by X-ray Absorption Spectroscopy

DOE PAGES

Sneeden, Eileen Y.; Hackett, Mark J.; Cotelesage, Julien J. H.; ...

2017-07-27

Sulfur-based thiyl radicals are known to be involved in a wide range of chemical and biological processes, but they are often highly reactive, which makes them difficult to observe directly. We report herein X-ray absorption spectra and analysis that support the direct observation of two different thiyl species generated photochemically by X-ray irradiation. The thiyl radical sulfur K-edge X-ray absorption spectra of both species are characterized by a uniquely low energy transition at about 2465 eV, which occurs at a lower energy than any previously observed feature at the sulfur K-edge and corresponds to a 1s → 3p transition tomore » the singly occupied molecular orbital of the free radical. In conclusion, our results constitute the first observation of substantial levels of thiyl radicals generated by X-ray irradiation and detected by sulfur K-edge X-ray absorption spectroscopy.« less

Accurate predictions of iron redox state in silicate glasses: A multivariate approach using X-ray absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dyar, M. Darby; McCanta, Molly; Breves, Elly

2016-03-01

Pre-edge features in the K absorption edge of X-ray absorption spectra are commonly used to predict Fe3+ valence state in silicate glasses. However, this study shows that using the entire spectral region from the pre-edge into the extended X-ray absorption fine-structure region provides more accurate results when combined with multivariate analysis techniques. The least absolute shrinkage and selection operator (lasso) regression technique yields %Fe3+ values that are accurate to ±3.6% absolute when the full spectral region is employed. This method can be used across a broad range of glass compositions, is easily automated, and is demonstrated to yield accurate resultsmore » from different synchrotrons. It will enable future studies involving X-ray mapping of redox gradients on standard thin sections at 1 × 1 μm pixel sizes.« less

Accurate predictions of iron redox state in silicate glasses: A multivariate approach using X-ray absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dyar, M. Darby; McCanta, Molly; Breves, Elly

2016-03-01

Pre-edge features in the K absorption edge of X-ray absorption spectra are commonly used to predict Fe 3+ valence state in silicate glasses. However, this study shows that using the entire spectral region from the pre-edge into the extended X-ray absorption fine-structure region provides more accurate results when combined with multivariate analysis techniques. The least absolute shrinkage and selection operator (lasso) regression technique yields %Fe 3+ values that are accurate to ±3.6% absolute when the full spectral region is employed. This method can be used across a broad range of glass compositions, is easily automated, and is demonstrated to yieldmore » accurate results from different synchrotrons. It will enable future studies involving X-ray mapping of redox gradients on standard thin sections at 1 × 1 μm pixel sizes.« less

Vanadium K-edge X-ray absorption spectroscopy of bromoperoxidase from Ascophyllum nodosum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arber, J.M.; de Boer, E.; Garner, C.D.

Bromoperoxidase from Ascophyllum nodusum was the first vanadium-containing enzyme to be isolated. X-ray absorption spectra have now been collected in order to investigate the coordination of vanadium in the native, native plus bromide, native plus hydrogen peroxide, and dithionite-reduced forms of the enzyme. The edge and X-ray absorption near-edge structures show that, in the four samples studied, it is only on reduction of the native enzyme that the metal site is substantially altered. In addition, these data are consistent with the presence of vanadium(IV) in the reduced enzyme and vanadium(V) in the other samples. Extended X-ray absorption fine structure datamore » confirm that there are structural changes at the metal site on reduction of the native enzyme, notably a lengthening of the average inner-shell distance, and the presence of terminal oxygen together with histidine and oxygen-donating residues.« less

Optical properties of anodically degraded ZnO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Messerschmidt, Daniel, E-mail: daniel.messerschmidt@bosch.com; Gnehr, Wolf-Michael; Eberhardt, Jens

2014-03-07

We discuss the optical properties of non-degraded and anodically degraded boron-doped zinc oxide (ZnO:B) deposited by low-pressure chemical vapour deposition on soda-lime glass. The optical model used to simulate the infrared reflectance in the wavelength range between 1.2 and 25 μm is based on the Maxwell-Garnett effective-medium theory. The model is sensitive to the conditions at the grain boundaries of the investigated polycrystalline ZnO:B films. We confirm that the presence of defect-rich grain boundaries, especially after degradation, causes a highly resistive ZnO:B film. Furthermore, indications of a degraded zinc oxide layer next to the ZnO:B/glass interface with different refractive index aremore » found. We present evidence for the creation of oxygen vacancies, based on Raman investigations, which correlate with a shift of the optical absorption edge of the ZnO:B. Investigations with scanning and transmission electron microscopy show microvoids at the grain boundaries after anodic degradation. This indicates that the grain/grain interfaces are the principle location of defects after degradation.« less

Effect of strain on the electronic structure and optical properties of germanium

NASA Astrophysics Data System (ADS)

Wen, Shumin; Zhao, Chunwang; Li, Jijun; Hou, Qingyu

2018-05-01

The effects of biaxial strain parallel to the (001) plane on the electronic structures and optical properties of Ge are calculated using the first-principles plane-wave pseudopotential method based on density functional theory. The screened-exchange local-density approximation function was used to obtain more reliable band structures, while strain was changed from ‑4% to +4%. The results show that the bandgap of Ge decreases with the increase of strain. Ge becomes a direct-bandgap semiconductor when the tensile strain reaches to 2%, which is in good agreement with the experimental results. The density of electron states of strained Ge becomes more localized. The tensile strain can increase the static dielectric constant distinctly, whereas the compressive strain can decrease the static dielectric constant slightly. The strain makes the absorption band edge move toward low energy. Both the tensile strain and compressive strain can significantly increase the reflectivity in the range from 7 eV to 14 eV. The tensile strain can decrease the optical conductivity, but the compressive strain can increase the optical conductivity significantly.

Optical properties of aluminum-doped zinc oxide films deposited by direct-current pulse magnetron reactive sputtering

NASA Astrophysics Data System (ADS)

Gao, Xiao-Yong; Chen, Chao; Zhang, Sa

2014-03-01

A series of <103>-oriented aluminum-doped zinc oxide (AZO) films were deposited on glass substrates via direct-current pulse magnetron reactive sputtering at different O2-to-Ar gas flow ratios (GFRs). The optical properties of the films were characterized using the fitted optical constants in the general oscillator model (which contains two Psemi-Tri oscillators) through the use of measured ellipsometric parameters. The refractive index dispersion data below the interband absorption edge were analyzed using a single-oscillator model. The fitted optical energy gap obtained using the single-oscillator model clearly shows a blue shift, followed by a red shift, as the GFR increases from 0.9/18 to 2.1/18. This shift can be attributed to the change in the free electron concentration of the film, which is closely related to the film stress. In addition, the fitted β value indicates that the AZO film falls under the ionic class. The photoluminescence spectrum indicates a photoluminescence mechanism of the direct and wide energy gap semiconductor.

Photoemission and Photoabsorption Investigation of the Electronic Structure of Ytterbium Doped Strontium Fluoroapatite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, A J; van Buuren, T; Bostedt, C

X-ray photoemission and x-ray photoabsorption were used to study the composition and the electronic structure of ytterbium doped strontium fluoroapatite (Yb:S-FAP). High resolution photoemission measurements on the valence band electronic structure was used to evaluate the density of occupied states of this fluoroapatite. Element specific density of unoccupied electronic states in Yb:S-FAP were probed by x-ray absorption spectroscopy (XAS) at the Yb 4d (N{sub 4,5}-edge), Sr 3d (M{sub 4,5}-edge), P 2p (L{sub 2,3}-edge), F 1s and O 1s (K-edges) absorption edges. These results provide the first measurements of the electronic structure and surface chemistry of this material.

X-ray absorption spectroscopy investigations on oxidized Ni/Au contacts to p-GaN.

PubMed

Jan, J C; Asokan, K; Chiou, J W; Pong, W F; Tseng, P K; Chen, L C; Chen, F R; Lee, J F; Wu, J S; Lin, H J; Chen, C T

2001-03-01

X-ray absorption spectroscopy was used to investigate the electronic structure of as-deposited and oxidized Ni/Au contacts to p-GaN and to elucidate the mechanism responsible for low impedance. X-ray absorption near edge spectra of Ni K- and L3,2-edges clearly indicate formation of NiO on the sample surface after annealing. The reason for low impedance may be attributed to increase in hole concentration and existence of p-NiO layer on the surface.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hopkins, Rebecca J.; Lewis, K.; Desyaterik, Yury

Aerosols generated from burning different plant fuels were characterized to determine relationships between chemical, optical and physical properties. Single scattering albedo ({omega}) and Angstrom absorption coefficients ({alpha}{sub ap}) were measured using a photoacoustic technique combined with a reciprocal nephelometer. Carbon-to-oxygen atomic ratios, sp{sup 2} hybridization, elemental composition and morphology of individual particles were measured using scanning transmission X-ray microscopy coupled with near-edge X-ray absorption fine structure spectroscopy (STXM/NEXAFS) and scanning electron microscopy with energy dispersion of X-rays (SEM/EDX). Particles were grouped into three categories based on sp2 hybridization and chemical composition. Measured {omega} (0.4-1.0 at 405 nm) and {alpha}{sub ap}more » (1.0-3.5) values displayed a fuel dependence. The category with sp{sup 2} hybridization >80% had values of {omega} (<0.5) and {alpha}{sub ap} ({approx}1.25) characteristic of light absorbing soot. Other categories with lower sp2 hybridization (20 to 60%) exhibited higher {omega} (>0.8) and {alpha}{sub ap} (1.0 to 3.5) values, indicating increased absorption spectral selectivity.« less

Spectroscopic studies of Cr{sup 3+} ions doped in poly(vinylalcohol) complexed polyethylene glycol polymer films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rao, T. Rajavardhana; Raju, Ch. Linga, E-mail: drchlraj-phy@yahoo.com; Brahmam, K. Veera

2015-05-15

Polymer films of Poly(vinylalcohol) (PVA) complexed with Polyethylene glycol (PEG) with different dopant concentrations of Cr{sup 3+} ions are prepared by solution cast technique. Electron paramagnetic resonance (EPR), Optical absorption and FT-IR studies have been carried out on the polymer films. The EPR spectra of the entire samples exhibit resonance signal at g ≈1.97 which is attributed to the isolated Cr{sup 3+} pairs. The temperature variation EPR studies show that the population of spin-levels participating in the resonance decreases with an increase in temperature, which is in accordance with the Boltzmann Law. The paramagnetic susceptibilities (X) have been calculated frommore » the EPR data at different temperatures. The linewidth of the g ≈1.97 resonance signal has been found to be decreasing with an increase in temperature, which confirms the pairing mechanism between Cr{sup 3+} ions. The Optical absorption spectrum of chromium ions in (PVA+PEG) polymer films exhibits three bands, corresponding to the d-d transitions {sup 4}A{sub 2g}(F)→{sup 4}T{sub 1g}(F), {sup 4}A{sub 2g}(F)→{sup 4}T{sub 2g}(F) and {sup 4}A{sub 2g}(F)→{sup 2}T{sub 1g}(G), in the order of decreasing energy. The crystal field parameter Dq and the Racah interelectronic repulsion parameters B and C have been evaluated. From the ultraviolet absorption edges, Optical band gap (E{sub opt}) and Urbach (ΔE) energies are evaluated. FT-IR spectrum exhibits few bands which are attributed to O-H, CH, C=C and C=O groups of stretching and bending vibrations.« less

Method for wafer edge profile extraction using optical images obtained in edge defect inspection process

NASA Astrophysics Data System (ADS)

Okamoto, Hiroaki; Sakaguchi, Naoshi; Hayano, Fuminori

2010-03-01

It is becoming increasingly important to monitor wafer edge profiles in the immersion lithography era. A Nikon edge defect inspection tool acquires the circumferential optical images of the wafer edge during its inspection process. Nikon's unique illumination system and optics make it possible to then convert the brightness data of the captured images to quantifiable edge profile information. During this process the wafer's outer shape is also calculated. Test results show that even newly shipped bare wafers may not have a constant shape over 360 degree. In some cases repeated deformations with 90 degree pitch are observed.

Observation of the origin of d0 magnetism in ZnO nanostructures using X-ray-based microscopic and spectroscopic techniques

NASA Astrophysics Data System (ADS)

Singh, Shashi B.; Wang, Yu-Fu; Shao, Yu-Cheng; Lai, Hsuan-Yu; Hsieh, Shang-Hsien; Limaye, Mukta V.; Chuang, Chen-Hao; Hsueh, Hung-Chung; Wang, Hsaiotsu; Chiou, Jau-Wern; Tsai, Hung-Ming; Pao, Chih-Wen; Chen, Chia-Hao; Lin, Hong-Ji; Lee, Jyh-Fu; Wu, Chun-Te; Wu, Jih-Jen; Pong, Way-Faung; Ohigashi, Takuji; Kosugi, Nobuhiro; Wang, Jian; Zhou, Jigang; Regier, Tom; Sham, Tsun-Kong

2014-07-01

Efforts have been made to elucidate the origin of d0 magnetism in ZnO nanocactuses (NCs) and nanowires (NWs) using X-ray-based microscopic and spectroscopic techniques. The photoluminescence and O K-edge and Zn L3,2-edge X-ray-excited optical luminescence spectra showed that ZnO NCs contain more defects than NWs do and that in ZnO NCs, more defects are present at the O sites than at the Zn sites. Specifically, the results of O K-edge scanning transmission X-ray microscopy (STXM) and the corresponding X-ray-absorption near-edge structure (XANES) spectroscopy demonstrated that the impurity (non-stoichiometric) region in ZnO NCs contains a greater defect population than the thick region. The intensity of O K-edge STXM-XANES in the impurity region is more predominant in ZnO NCs than in NWs. The increase in the unoccupied (occupied) density of states at/above (at/below) the conduction-band minimum (valence-band maximum) or the Fermi level is related to the population of defects at the O sites, as revealed by comparing the ZnO NCs to the NWs. The results of O K-edge and Zn L3,2-edge X-ray magnetic circular dichroism demonstrated that the origin of magnetization is attributable to the O 2p orbitals rather than the Zn d orbitals. Further, the local density approximation (LDA) + U verified that vacancies in the form of dangling or unpaired 2p states (due to Zn vacancies) induced a significant local spin moment in the nearest-neighboring O atoms to the defect center, which was determined from the uneven local spin density by analyzing the partial density of states of O 2p in ZnO.Efforts have been made to elucidate the origin of d0 magnetism in ZnO nanocactuses (NCs) and nanowires (NWs) using X-ray-based microscopic and spectroscopic techniques. The photoluminescence and O K-edge and Zn L3,2-edge X-ray-excited optical luminescence spectra showed that ZnO NCs contain more defects than NWs do and that in ZnO NCs, more defects are present at the O sites than at the Zn sites. Specifically, the results of O K-edge scanning transmission X-ray microscopy (STXM) and the corresponding X-ray-absorption near-edge structure (XANES) spectroscopy demonstrated that the impurity (non-stoichiometric) region in ZnO NCs contains a greater defect population than the thick region. The intensity of O K-edge STXM-XANES in the impurity region is more predominant in ZnO NCs than in NWs. The increase in the unoccupied (occupied) density of states at/above (at/below) the conduction-band minimum (valence-band maximum) or the Fermi level is related to the population of defects at the O sites, as revealed by comparing the ZnO NCs to the NWs. The results of O K-edge and Zn L3,2-edge X-ray magnetic circular dichroism demonstrated that the origin of magnetization is attributable to the O 2p orbitals rather than the Zn d orbitals. Further, the local density approximation (LDA) + U verified that vacancies in the form of dangling or unpaired 2p states (due to Zn vacancies) induced a significant local spin moment in the nearest-neighboring O atoms to the defect center, which was determined from the uneven local spin density by analyzing the partial density of states of O 2p in ZnO. Electronic supplementary information (ESI) available: Scanning photoelectron microscopy (SPEM) results of ZnO NCs and NWs. Computational details and calculated total and partial density of states (PDOS) of bulk wurtzite ZnO with oxygen anion vacancies (VO). See DOI: 10.1039/c4nr01961j

Synthesis, structural and optical characterization of APbX{sub 3} (A=methylammonium, dimethylammonium, trimethylammonium; X=I, Br, Cl) hybrid organic-inorganic materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mancini, Alessandro; Quadrelli, Paolo; Amoroso, Giuseppe

2016-08-15

In this paper we report the synthesis, the crystal structure and the optical response of APbX{sub 3} (A=MA, DMA, and TMA; X=I, Br) hybrid organic-inorganic materials including some new phases. We observe that as the cation group increases in size, the optical absorption edge shifts to higher energies with energy steps which are systematic and independent on the anion. A linear correlation between the optical bad gap and the tolerance factor has been shown for the series of samples investigated. - Graphical abstract: The crystal structure and the optical response of the two series of hybrid organic-inorganic materials APbX{sub 3}more » (A=MA, DMA, and TMA; X=I, Br), which include some new phases, are reported. A dependence of crystal structure and band-gap with tolerance factor is shown. Display Omitted - Highlights: • DMAPbI{sub 3}, TMAPbI{sub 3} and TMAPbBr{sub 3} are reported as new hybrid organic-inorganic compounds. • Crystal structure and optical properties as a function of the number of methyl groups are provided. • Correlation between structure and optical properties are given as a function of tolerance factor.« less

Silicon K-edge XANES spectra of silicate minerals

NASA Astrophysics Data System (ADS)

Li, Dien; Bancroft, G. M.; Fleet, M. E.; Feng, X. H.

1995-03-01

Silicon K-edge x-ray absorption near-edge structure (XANES) spectra of a selection of silicate and aluminosilicate minerals have been measured using synchrotron radiation (SR). The spectra are qualitatively interpreted based on MO calculation of the tetrahedral SiO{4/4-}cluster. The Si K-edge generally shifts to higher energy with increased polymerization of silicates by about 1.3 eV, but with considerable overlap for silicates of different polymerization types. The substitution of Al for Si shifts the Si K-edge to lower energy. The chemical shift of Si K-edge is also sensitive to cations in more distant atom shells; for example, the Si K-edge shifts to lower energy with the substitution of Al for Mg in octahedral sites. The shifts of the Si K-edge show weak correlation with average Si-O bond distance (dSi-O), Si-O bond valence (sSi-O) and distortion of SiO4 tetrahedra, due to the crystal structure complexity of silicate minerals and multiple factors effecting the x-ray absorption processes.

Temperature dependence of pre-edge features in Ti K-edge XANES spectra for ATiO₃ (A = Ca and Sr), A₂TiO₄ (A = Mg and Fe), TiO₂ rutile and TiO₂ anatase.

PubMed

Hiratoko, Tatsuya; Yoshiasa, Akira; Nakatani, Tomotaka; Okube, Maki; Nakatsuka, Akihiko; Sugiyama, Kazumasa

2013-07-01

XANES (X-ray absorption near-edge structure) spectra of the Ti K-edges of ATiO3 (A = Ca and Sr), A2TiO4 (A = Mg and Fe), TiO2 rutile and TiO2 anatase were measured in the temperature range 20-900 K. Ti atoms for all samples were located in TiO6 octahedral sites. The absorption intensity invariant point (AIIP) was found to be between the pre-edge and post-edge. After the AIIP, amplitudes damped due to Debye-Waller factor effects with temperature. Amplitudes in the pre-edge region increased with temperature normally by thermal vibration. Use of the AIIP peak intensity as a standard point enables a quantitative comparison of the intensity of the pre-edge peaks in various titanium compounds over a wide temperature range.

X-ray absorption spectroscopy: EXAFS (Extended X-ray Absorption Fine Structure) and XANES (X-ray Absorption Near Edge Structure)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alp, E.E.; Mini, S.M.; Ramanathan, M.

1990-04-01

The x-ray absorption spectroscopy (XAS) had been an essential tool to gather spectroscopic information about atomic energy level structure in the early decades of this century. It has also played an important role in the discovery and systematization of rare-earth elements. The discovery of synchrotron radiation in 1952, and later the availability of broadly tunable synchrotron based x-ray sources have revitalized this technique since the 1970's. The correct interpretation of the oscillatory structure in the x-ray absorption cross-section above the absorption edge by Sayers et. al. has transformed XAS from a spectroscopic tool to a structural technique. EXAFS (Extended X-raymore » Absorption Fine Structure) yields information about the interatomic distances, near neighbor coordination numbers, and lattice dynamics. An excellent description of the principles and data analysis techniques of EXAFS is given by Teo. XANES (X-ray Absorption Near Edge Structure), on the other hand, gives information about the valence state, energy bandwidth and bond angles. Today, there are about 50 experimental stations in various synchrotrons around the world dedicated to collecting x-ray absorption data from the bulk and surfaces of solids and liquids. In this chapter, we will give the basic principles of XAS, explain the information content of essentially two different aspects of the absorption process leading to EXAFS and XANES, and discuss the source and samples limitations.« less

Submillisecond Optical Knife-Edge Testing

NASA Technical Reports Server (NTRS)

Thurlow, P.

1983-01-01

Fast computer-controlled sampling of optical knife-edge response (KER) signal increases accuracy of optical system aberration measurement. Submicrosecond-response detectors in optical focal plane convert optical signals to electrical signals converted to digital data, sampled and feed into computer for storage and subsequent analysis. Optical data are virtually free of effects of index-of-refraction gradients.

Optical conductivity calculation of a k.p model semiconductor GaAs incorporating first-order electron-hole vertex correction

NASA Astrophysics Data System (ADS)

Nurhuda, Maryam; Aziz Majidi, Muhammad

2018-04-01

The role of excitons in semiconducting materials carries potential applications. Experimental results show that excitonic signals also appear in optical absorption spectra of semiconductor system with narrow gap, such as Gallium Arsenide (GaAs). While on the theoretical side, calculation of optical spectra based purely on Density Functional Theory (DFT) without taking electron-hole (e-h) interactions into account does not lead to the appearance of any excitonic signal. Meanwhile, existing DFT-based algorithms that include a full vertex correction through Bethe-Salpeter equation may reveal an excitonic signal, but the algorithm has not provided a way to analyze the excitonic signal further. Motivated to provide a way to isolate the excitonic effect in the optical response theoretically, we develop a method of calculation for the optical conductivity of a narrow band-gap semiconductor GaAs within the 8-band k.p model that includes electron-hole interactions through first-order electron-hole vertex correction. Our calculation confirms that the first-order e-h vertex correction reveals excitonic signal around 1.5 eV (the band gap edge), consistent with the experimental data.

Tunable electronic, electrical and optical properties of graphene oxide sheets by ion irradiation

NASA Astrophysics Data System (ADS)

Jayalakshmi, G.; Saravanan, K.; Panigrahi, B. K.; Sundaravel, B.; Gupta, Mukul

2018-05-01

The tunable electronic, electrical and optical properties of graphene oxide (GO) sheets were investigated using a controlled reduction by 500 keV Ar+-ion irradiation. The carbon to oxygen ratio of the GO sheets upon the ion beam reduction has been estimated using resonant Rutherford backscattering spectrometry analyses and its effect on the electrical and optical properties of GO sheets has been studied using sheet resistance measurements and photoluminescence (PL) measurements. The restoration of sp 2-hybridized carbon atoms within the sp 3 matrix is found to be increases with increasing the Ar+-ion fluences as evident from Fourier transform infrared, and x-ray absorption near-edge structure measurements. The decrease in the number of disorder-induced local density of states (LDOSs) within the π-π* gap upon the reduction causes the shifting of PL emission from near infra-red to blue region and decreases the sheet resistance. The improved electrical and optical properties of GO sheets were correlated to the decrease in the number of LDOSs within the π-π* gap. Our experimental investigations suggest ion beam irradiation is one of an effective approaches to reduce GO to RGO and to tailor its electronic, electrical and optical properties.

Tunable electronic, electrical and optical properties of graphene oxide sheets by ion irradiation.

PubMed

Jayalakshmi, G; Saravanan, K; Panigrahi, B K; Sundaravel, B; Gupta, Mukul

2018-05-04

The tunable electronic, electrical and optical properties of graphene oxide (GO) sheets were investigated using a controlled reduction by 500 keV Ar + -ion irradiation. The carbon to oxygen ratio of the GO sheets upon the ion beam reduction has been estimated using resonant Rutherford backscattering spectrometry analyses and its effect on the electrical and optical properties of GO sheets has been studied using sheet resistance measurements and photoluminescence (PL) measurements. The restoration of sp 2 -hybridized carbon atoms within the sp 3 matrix is found to be increases with increasing the Ar + -ion fluences as evident from Fourier transform infrared, and x-ray absorption near-edge structure measurements. The decrease in the number of disorder-induced local density of states (LDOSs) within the π-π* gap upon the reduction causes the shifting of PL emission from near infra-red to blue region and decreases the sheet resistance. The improved electrical and optical properties of GO sheets were correlated to the decrease in the number of LDOSs within the π-π* gap. Our experimental investigations suggest ion beam irradiation is one of an effective approaches to reduce GO to RGO and to tailor its electronic, electrical and optical properties.

Zero-field dichroism in the solar chromosphere.

PubMed

Sainz, R Manso; Bueno, J Trujillo

2003-09-12

We explain the linear polarization of the Ca ii infrared triplet observed close to the edge of the solar disk. In particular, we demonstrate that the physical origin of the enigmatic polarizations of the 866.2 and 854.2 nm lines lies in the existence of atomic polarization in their metastable (2)D(3)(/2, 5/2) lower levels, which produces differential absorption of polarization components (dichroism). To this end, we have solved the problem of the generation and transfer of polarized radiation by taking fully into account all the relevant optical pumping mechanisms in multilevel atomic models. We argue that "zero-field" dichroism may be of great diagnostic value in astrophysics.

Atomic force microscopy study of erythrocyte shape and membrane structure after treatment with a dihydropyridinic drug

NASA Astrophysics Data System (ADS)

Girasole, M.; Cricenti, A.; Generosi, R.; Congiu-Castellano, A.; Boffi, F.; Arcovito, A.; Boumis, G.; Amiconi, G.

2000-06-01

The overall shape and membrane surface of human erythrocytes (RBCs) in the presence of nifedipine (a dihydropyridinic drug used in the clinical treatment of hypertension and angina pectoris) were imaged by contact-mode atomic force microscopy. Nifedipine induces in RBCs relevant morphological changes the extent of which increases as a function of drug concentration and incubation time. The modifications have been interpreted as mainly due to insertion of nifedipine into the outer layer of the RBC membrane. The potential effect of nifedipine as a hemoglobin denaturant has been ruled out by x-ray absorption near-edge structure and optical spectroscopies.

Tailoring growth conditions for efficient tuning of band edge of CdS nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Susha, N.; Nair, Swapna S., E-mail: swapna.s.nair@gmail.com; Aravind, P. B.

2015-06-24

CdS nanoparticles are successively synthesized by chemical precipitation method. The samples prepared at different reaction time and temperature are characterized by X-ray diffraction, Diffuse reflectance spectroscopy, Photoluminescence spectroscopy ans Energy dispersive x-ray analysis. Visible color variation is noted from light yellow to orange, indicates the quantum confinement effect and the results are again got confirmed from the optical studies. A shift in absorption peak is observed towards the lower region of the visible spectra - the “blue shift”- upon decrease in reaction time and temperature. Blue emission observed in the photoluminescence spectrum confirms the grain size induced confinement.

Investigations of nanodimensional Al{sup 2}O{sup 3} films deposited by ion-plasma sputtering onto porous silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seredin, P. V., E-mail: paul@phys.vsu.ru; Lenshin, A. S.; Goloshchapov, D. L.

2015-07-15

The purpose of this study is the deposition of nanodimensional Al{sup 2}O{sup 3} films on the surface of nanoporous silicon and also fundamental investigations of the structural, optical, and morphological properties of these materials. Analyzing the results obtained here, it is possible to state that ultrathin nanostructured Al{sup 2}O{sup 3} films can be obtained in the form of threads oriented in one direction and located at a distance of 300–500 nm from each other using ion-plasma sputtering on a layer of porous silicon. Such a mechanism of aluminum-oxide growth is conditioned by the crystallographic orientation of the initial single-crystalline siliconmore » wafer used to fabricate the porous layer. The results of optical spectroscopy show that the Al{sup 2}O{sup 3}/por-Si/Si(111) heterophase structure perfectly transmits electromagnetic radiation in the range of 190–900 nm. The maximum in the dispersion of the refractive index obtained for the Al{sup 2}O{sup 3} film grown on por-Si coincides with the optical-absorption edge for aluminum oxide and is located in the region of ∼5.60 eV. This fact is confirmed by the results of calculations of the optical-absorption spectrum of the Al{sup 2}O{sup 3}/por-Si/Si(lll) heterophase structure. The Al{sup 2}O{sup 3} films formed on the heterophase-structure surface in the form of nanodimensional structured threads can serve as channels of optical conduction and can be rather efficiently introduced into conventional technologies, which are of great importance in microelectronics and optoelectronics.« less

Determination of the optical absorption spectra of thin layers from their photoacoustic spectra

NASA Astrophysics Data System (ADS)

Bychto, Leszek; Maliński, Mirosław; Patryn, Aleksy; Tivanov, Mikhail; Gremenok, Valery

2018-05-01

This paper presents a new method for computations of the optical absorption coefficient spectra from the normalized photoacoustic amplitude spectra of thin semiconductor samples deposited on the optically transparent and thermally thick substrates. This method was tested on CuIn(Te0.7Se0.3)2 thin films. From the normalized photoacoustic amplitude spectra, the optical absorption coefficient spectra were computed with the new formula as also with the numerical iterative method. From these spectra, the value of the energy gap of the thin film material and the type of the optical transitions were determined. From the experimental optical transmission spectra, the optical absorption coefficient spectra were computed too, and compared with the optical absorption coefficient spectra obtained from photoacoustic spectra.

Approximating the near-edge mass absorption coefficients for Ni using an ultra-thin bimetal foil

DOE PAGES

Alkire, Randall W.

2016-11-01

In an effort to improve the characteristics of a fluorescing metal-foil-based beam position monitor, a new bimetal ultra-thin (0.98/0.67 µm) Ti–Ni foil was introduced to replace an existing single-element ultra-thin 0.5 µm thick Cr foil. During characterization it was determined that absorption measurements on the bimetal foil could be used to fit the Ni mass absorption coefficients accurately in the vicinity of the NiKedge. Comparison with experimental results from the literature demonstrated that the fitting procedure produced coefficients with uncertainties of the order of ±1%. Once determined, these fit coefficients allowed the thickness of an independently mounted 8 µm thickmore » Ni foil to be computed from absorption measurements instead of relying on a tool-based measurement of the foil thickness. Using the 8 µm thick foil, a continuous map of Ni mass absorption coefficients was produced at 1 eV resolution throughout the near-edge region. Lastly, this high-resolution map marks a significant improvement over the existing NIST XCOM or FFAST database mass absorption coefficients, which have estimated errors of 10–20% for the near-edge region.« less

Broadband optical limiting and nonlinear optical absorption properties of a novel hyperbranched conjugated polymer

NASA Astrophysics Data System (ADS)

Li, Chao; Liu, Chunling; Li, Quanshui; Gong, Qihuang

2004-12-01

The nonlinear transmittance of a novel hyperbranched conjugated polymer named DMA-HPV has been measured in CHCl 3 solution using a nanosecond optical parametric oscillator. DMA-HPV shows excellent optical limiting performance in the visible region from 490 to 610 nm. An explanation based on the combination of two-photon absorption and reverse saturable absorption was proposed for its huge and broadband nonlinear optical absorption.

XANES analysis of dried and calcined bones.

PubMed

Rajendran, Jayapradhi; Gialanella, Stefano; Aswath, Pranesh B

2013-10-01

The structure of dried and calcined bones from chicken, bovine, deer, pig, sheep and chamois was examined using X-ray Absorption Near Edge Structure (XANES) spectroscopy. The oxygen K-edge absorption edge indicates that the surface of dried bone has a larger proportion of carbonate than the interior that is made up of phosphates. The phosphorus L and K edge clearly indicate that pyrophosphates, α-tricalcium phosphate (α-TCP) and hydrogen phosphates of Ca do not exist in either the dried bone or calcined bone and phosphorus exists as either β-tricalcium phosphate (β-TCP) or hydroxyapatite, both in the dried and calcined conditions. The Ca K-edge analysis indicates that β-TCP is the likely form of phosphate in both the dried and calcined conditions. Copyright © 2013 Elsevier B.V. All rights reserved.

Optical Properties of Airborne Soil Organic Particles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Veghte, Daniel P.; China, Swarup; Weis, Johannes

Recently, airborne soil organic particles (ASOP) were reported as a type of solid organic particles emitted after water droplets impacted wet soils. Chemical constituents of ASOP are macromolecules such as polysaccharides, tannins, and lignin (derived from degradation of plants and biological organisms). Optical properties of ASOP were inferred from the quantitative analysis of the electron energy-loss spectra acquired over individual particles in the transmission electron microscope. The optical constants of ASOP are further compared with those measured for laboratory generated particles composed of Suwanee River Fulvic Acid (SRFA) reference material, which was used as a laboratory surrogate of ASOP. Themore » particle chemical compositions were analyzed using energy dispersive x-ray spectroscopy, electron energy-loss spectroscopy, and synchrotron-based scanning transmission x-ray microscopy with near edge x-ray absorption fine structure spectroscopy. ASOP and SRFA exhibit similar carbon composition, but SRFA has minor contributions of S and Na. When ASOP are heated to 350 °C their absorption increases as a result of their pyrolysis and partial volatilization of semi-volatile organic constituents. The retrieved refractive index (RI) at 532 nm of SRFA particles, ASOP, and heated ASOP were 1.22-62 0.07i, 1.29-0.07i, and 1.90-0.38i, respectively. Compared to RISRFA, RIASOP has a higher real part but similar imaginary part. These measurements of ASOP optical constants suggest that they have properties characteristic of atmospheric brown carbon and therefore their potential effects on the radiative forcing of climate need to be assessed in atmospheric models.« less

Computational study of the absorption spectrum of defected ZnS nanoparticles

NASA Astrophysics Data System (ADS)

Michos, F. I.; Sigalas, M. M.

2018-04-01

Energy levels and absorption spectra of defected ZnS nanoparticles (NPs) were calculated with Density Functional Theory (DFT) and Time Dependent DFT. Several types of defects were examined such as vacancies and substitutions. NPs with S vacancies were found to have their absorption spectra moved to lower energies well inside the visible spectrum with significantly high oscillator strength. Also, NPs with substitution of S atoms with Cl, Br, or I showed significant absorption. In general, this type of defect moves the absorption spectra in lower energies, thus bringing the absorption edge into the visible spectrum, while the unperturbed NPs have absorption edges in the UV region. In addition, ZnS NPs are made from more abundant and less toxic elements than the more commonly used CdSe NPs. For that reason, they may find significant applications in solar cells and other photonic applications, as well as in biosensing applications as biomarkers.

Rutherford Backscattering Spectrometry studies of 100 keV nitrogen ion implanted polypropylene polymer

NASA Astrophysics Data System (ADS)

Chawla, Mahak; Aggarwal, Sanjeev; Sharma, Annu

2017-09-01

The effect of nitrogen ion implantation on the structure and composition in polypropylene (PP) polymer has been studied. Implantation was carried out using 100 keV N+ ions at different fluences of 1 × 1015, 1 × 1016 and 1 × 1017 ions cm-2 with beam current density of ∼0.65 μA cm-2. Surface morphological changes in the pre- and post-implanted PP specimens have been studied using Rutherford Backscattering Spectrometry (RBS) and UV-Visible Spectroscopy. The spatial distribution of implantation induced modification in the form of carbonization and dehydrogenation in the near surface region of PP matrix, the projected range, retained dose of implanted nitrogen, the various elements present in the implanted layers and their differential cross-sections have been analyzed using RBS spectra. RUMP simulation yielded an increase in the concentration of carbon near the surface from 33 at.% (virgin) to 42 at.% at fluence of 1 × 1017 N+ cm-2. Further, optical absorption has been found to increase with a shift in the absorption edge from UV towards visible region with increasing fluence. UV-Vis absorption spectra also indicate a drastic decrease in optical energy gap from 4.12 eV (virgin) to 0.25 eV (1 × 1017 N+ cm-2) indicating towards the formation of carbonaceous network in the implanted region. All these changes observed using UV-Visible have been further correlated with the outcomes of the RBS characterization.

Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy

DOE PAGES

Hayes, Dugan; Kohler, Lars; Hadt, Ryan G.; ...

2017-11-28

Here, the kinetics of photoinduced electron and energy transfer in a family of tetrapyridophenazine-bridged heteroleptic homo- and heterodinuclear copper(I) bis(phenanthroline)/ruthenium(II) polypyridyl complexes were studied using ultrafast optical and multi-edge X-ray transient absorption spectroscopies. This work combines the synthesis of heterodinuclear Cu(I)–Ru(II) analogs of the homodinuclear Cu(I)–Cu(I) targets with spectroscopic analysis and electronic structure calculations to first disentangle the dynamics at individual metal sites by taking advantage of the element and site specificity of X-ray absorption and theoretical methods. The excited state dynamical models developed for the heterodinuclear complexes are then applied to model the more challenging homodinuclear complexes. These resultsmore » suggest that both intermetallic charge and energy transfer can be observed in an asymmetric dinuclear copper complex in which the ground state redox potentials of the copper sites are offset by only 310 meV. We also demonstrate the ability of several of these complexes to effectively and unidirectionally shuttle energy between different metal centers, a property that could be of great use in the design of broadly absorbing and multifunctional multimetallic photocatalysts. This work provides an important step toward developing both a fundamental conceptual picture and a practical experimental handle with which synthetic chemists, spectroscopists, and theoreticians may collaborate to engineer cheap and efficient photocatalytic materials capable of performing coulombically demanding chemical transformations.« less

Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hayes, Dugan; Kohler, Lars; Hadt, Ryan G.

Here, the kinetics of photoinduced electron and energy transfer in a family of tetrapyridophenazine-bridged heteroleptic homo- and heterodinuclear copper(I) bis(phenanthroline)/ruthenium(II) polypyridyl complexes were studied using ultrafast optical and multi-edge X-ray transient absorption spectroscopies. This work combines the synthesis of heterodinuclear Cu(I)–Ru(II) analogs of the homodinuclear Cu(I)–Cu(I) targets with spectroscopic analysis and electronic structure calculations to first disentangle the dynamics at individual metal sites by taking advantage of the element and site specificity of X-ray absorption and theoretical methods. The excited state dynamical models developed for the heterodinuclear complexes are then applied to model the more challenging homodinuclear complexes. These resultsmore » suggest that both intermetallic charge and energy transfer can be observed in an asymmetric dinuclear copper complex in which the ground state redox potentials of the copper sites are offset by only 310 meV. We also demonstrate the ability of several of these complexes to effectively and unidirectionally shuttle energy between different metal centers, a property that could be of great use in the design of broadly absorbing and multifunctional multimetallic photocatalysts. This work provides an important step toward developing both a fundamental conceptual picture and a practical experimental handle with which synthetic chemists, spectroscopists, and theoreticians may collaborate to engineer cheap and efficient photocatalytic materials capable of performing coulombically demanding chemical transformations.« less

X-ray diffraction microscopy on frozen hydrated specimens

NASA Astrophysics Data System (ADS)

Nelson, Johanna

X-rays are excellent for imaging thick samples at high resolution because of their large penetration depth compared to electrons and their short wavelength relative to visible light. To image biological material, the absorption contrast of soft X-rays, especially between the carbon and oxygen K-shell absorption edges, can be utilized to give high contrast, high resolution images without the need for stains or labels. Because of radiation damage and the desire for high resolution tomography, live cell imaging is not feasible. However, cells can be frozen in vitrified ice, which reduces the effect of radiation damage while maintaining their natural hydrated state. X-ray diffraction microscopy (XDM) is an imaging technique which eliminates the limitations imposed by current focusing optics simply by removing them entirely. Far-field coherent diffraction intensity patterns are collected on a pixelated detector allowing every scattered photon to be collected within the limits of the detector's efficiency and physical size. An iterative computer algorithm is then used to invert the diffraction intensity into a real space image with both absorption and phase information. This technique transfers the emphasis away from fabrication and alignment of optics, and towards data processing. We have used this method to image a pair of freeze-dried, immuno-labeled yeast cells to the highest resolution (13 nm) yet obtained for a whole eukaryotic cell. We discuss successes and challenges in working with frozen hydrated specimens and efforts aimed at high resolution imaging of vitrified eukaryotic cells in 3D.

Assignment of Pre-edge Features in the Ru K-edge X-ray Absorption Spectra of Organometallic Ruthenium Complexes

PubMed Central

Getty, Kendra; Delgado-Jaime, Mario Ulises

2010-01-01

The nature of the lowest energy bound-state transition in the Ru K-edge X-ray Absorption Spectra for a series of Grubbs-type ruthenium complexes was investigated. The pre-edge feature was unambiguously assigned as resulting from formally electric dipole forbidden Ru 4d←1s transitions. The intensities of these transitions are extremely sensitive to the ligand environment and the symmetry of the metal centre. In centrosymmetric complexes the pre-edge is very weak since it is limited by the weak electric quadrupole intensity mechanism. By contrast, upon breaking centrosymmetry, Ru 5p-4d mixing allows for introduction of electric dipole allowed character resulting in a dramatic increase in the pre-edge intensity. The information content of this approach is explored as it relates to complexes of importance in olefin metathesis and its relevance as a tool for the study of reactive intermediates. PMID:20151030

Sensitive And Selective Chemical Sensor With Nanostructured Surfaces.

DOEpatents

Pipino, Andrew C. R.

2003-02-04

A chemical sensor is provided which includes an optical resonator including a nanostructured surface comprising a plurality of nanoparticles bound to one or more surfaces of the resonator. The nanoparticles provide optical absorption and the sensor further comprises a detector for detecting the optical absorption of the nanoparticles or their environment. In particular, a selective chemical interaction is provided which modifies the optical absorption of the nanoparticles or their environment, and an analyte is detected based on the modified optical absorption. A light pulse is generated which enters the resonator to interrogate the modified optical absorption and the exiting light pulse is detected by the detector.

Long- and Short-Range Structure of Ferrimagnetic Iron-Chromium Maghemites.

PubMed

García-Guaderrama, Marco; Montero-Cabrera, María E; Morán, Emilio; Alario-Franco, Miguel A; Fuentes-Cobas, Luis E; Macías-Ríos, Edgar; Esparza-Ponce, Hilda E; Fuentes-Montero, María E

2015-12-07

Maghemite-like materials containing Fe(3+) and Cr(3+) in comparable amounts have been prepared by solution-combustion synthesis. The conditions of synthesis and the magnetic properties are described. These materials are ferrimagnetic and are much more stable than pure iron maghemite since their maghemite-hematite transformation takes place at about ∼ 700 °C instead of ∼ 300 °C, as usually reported. These materials were studied by synchrotron radiation X-ray diffraction (XRD) and by X-ray absorption fine structure (XAFS) of the K-absorption edge of two elements. High-resolution XRD patterns were processed by means of the Rietveld method. Thus, maghemites were studied by XAFS in both Fe and Cr K-edges to clarify the short-range structure of the investigated systems. Pre-edge decomposition and theoretical modeling of X-ray absorption near edge structure transitions were performed. The extended X-ray absorption fine structure (EXAFS) spectra were fitted considering the facts that the central atom of Fe is able to occupy octahedral and tetrahedral sites, each with a weight adjustment, while Cr occupies only octahedral sites. Interatomic distances were determined for x = 1, by fitting simultaneously both Fe and Cr K-edges average EXAFS spectra. The results showed that the cation vacancies tend to follow a regular pattern within the structure of the iron-chromium maghemite (FeCrO3).

Electronic structure of transition metal-cysteine complexes from X-ray absorption spectroscopy.

PubMed

Leung, Bonnie O; Jalilehvand, Farideh; Szilagyi, Robert K

2008-04-17

The electronic structures of HgII, NiII, CrIII, and MoV complexes with cysteine were investigated by sulfur K-edge X-ray absorption near-edge structure (XANES) spectroscopy and density functional theory. The covalency in the metal-sulfur bond was determined by analyzing the intensities of the electric-dipole allowed pre-edge features appearing in the XANES spectra below the ionization threshold. Because of the well-defined structures of the selected cysteine complexes, the current work provides a reference set for further sulfur K-edge XAS studies of bioinorganic active sites with transition metal-sulfur bonds from cysteine residues as well as more complex coordination compounds with thiolate ligands.

Reflectance, Optical Properties, and Stability of Molybdenum/Strontium and Molybdenum/Yttrium Multilayer Mirrors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kjornrattanawanich, Benjawan

2002-09-01

The motivation of this work is to develop high reflectance normal-incidence multilayer mirrors in the 8-12 nm wavelength region for applications in astronomy and extreme ultraviolet lithography. To achieve this goal, Mo/Sr and Mo/Y multilayers were studied. These multilayers were deposited with a UHV magnetron sputtering system and their reflectances were measured with synchrotron radiation. High normal-incidence reflectances of 23% at 8.8 nm, 40.8% at 9.4 nm, and 48.3% at 10.5 nm were achieved. However, the reflectance of Mo/Sr multilayers decreased rapidly after exposure to air. Attempts to use thin layers of carbon to passivate the surface of Mo/Sr multilayers were unsuccessful. Experimental results on the refractive indexmore » $$\\tilde{n}$$ = 1-δ + iβ of yttrium and molybdenum in the 50-1300 eV energy region are reported in this work. This is the first time ever that values on the refractive index of yttrium are measured in this energy range. The absorption part β was determined through transmittance measurements. The dispersive part δ was calculated by means of the Kramers-Kronig formalism. The newly determined values of the refractive index of molybdenum are in excellent agreement with the published data. Those of yttrium are more accurate and contain fine structures around the yttrium M-absorption edges where Mo/Y multilayers operate. These improved sets of optical data lead to better design and modeling of the optical properties of Mo/Y multilayers. The reflectance quality of Mo/Y multilayers is dependent on their optical and structural properties. To correlate these properties with the multilayer reflectance, x-ray diffraction, Rutherford backscattering spectrometry, and transmission electron microscopy were used to analyze samples. Normal-incidence reflectances of 32.6% at 9.27 nm, 38.4% at 9.48 nm, and 29.6% at 9.46 nm were obtained from three representative Mo/Y multilayers which had about 0%, 25%, and 39% atomic oxygen assimilated in their yttrium layers, respectively. Based on the optical properties, multilayers with higher oxygen content should have higher absorption. However, the 25%-oxygen multilayer had less interface roughness and thus had higher reflectance than the 0%-oxygen sample. The 39%-oxygen multilayer had the highest absorption and roughness, thus had the lowest reflectance among three samples. The optical and structural properties of the multilayers are competing in the reflectance results.« less

Virtual edge illumination and one dimensional beam tracking for absorption, refraction, and scattering retrieval

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vittoria, Fabio A., E-mail: fabio.vittoria.12@ucl.ac.uk; Diemoz, Paul C.; Research Complex at Harwell, Harwell Oxford Campus, OX11 0FA Didcot

2014-03-31

We propose two different approaches to retrieve x-ray absorption, refraction, and scattering signals using a one dimensional scan and a high resolution detector. The first method can be easily implemented in existing procedures developed for edge illumination to retrieve absorption and refraction signals, giving comparable image quality while reducing exposure time and delivered dose. The second method tracks the variations of the beam intensity profile on the detector through a multi-Gaussian interpolation, allowing the additional retrieval of the scattering signal.

Anomalous small-angle scattering as a way to solve the Babinet principle problem

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boiko, M. E., E-mail: m.e.boiko@mail.ioffe.ru; Sharkov, M. D.; Boiko, A. M.

2013-12-15

X-ray absorption spectra (XAS) have been used to determine the absorption edges of atoms present in a sample under study. A series of small-angle X-ray scattering (SAXS) measurements using different monochromatic X-ray beams at different wavelengths near the absorption edges is performed to solve the Babinet principle problem. The sizes of clusters containing atoms determined by the method of XAS were defined in SAXS experiments. In contrast to differential X-ray porosimetry, anomalous SAXS makes it possible to determine sizes of clusters of different atomic compositions.

Anomalous small-angle scattering as a way to solve the Babinet principle problem

NASA Astrophysics Data System (ADS)

Boiko, M. E.; Sharkov, M. D.; Boiko, A. M.; Bobyl, A. V.

2013-12-01

X-ray absorption spectra (XAS) have been used to determine the absorption edges of atoms present in a sample under study. A series of small-angle X-ray scattering (SAXS) measurements using different monochromatic X-ray beams at different wavelengths near the absorption edges is performed to solve the Babinet principle problem. The sizes of clusters containing atoms determined by the method of XAS were defined in SAXS experiments. In contrast to differential X-ray porosimetry, anomalous SAXS makes it possible to determine sizes of clusters of different atomic compositions.

Spectroscopic ellipsometry studies on ZnCdO thin films with different Cd concentrations grown by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Chen, Shuai; Li, Qingxuan; Ferguson, Ian; Lin, Tao; Wan, Lingyu; Feng, Zhe Chuan; Zhu, Liping; Ye, Zhizhen

2017-11-01

A set of Zn1-xCdxO thin films with different Cd concentrations was deposited on quartz substrates by Pulsed Laser Deposition (PLD). The properties of these films were investigated by variable angle and temperature dependent spectroscopic ellipsometry (SE). The experimental Zn1-xCdxO thin films showed a red shift in the absorption edge with increasing Cd contents at room temperature. For ZnCdO films with the similar Cd concentration, it has been found that the film thickness has important effects on the optical constants (n, k). The variations of optical constants (n, k) and the band gap, E0, with temperature (T) in 25 °C-600 °C for a typical Zn0.95Cd0.05O sample were obtained. The E0 vs T relationship is described by a T- quadratic equation.

Optical Anisotropy and Waveguiding in Thin Films of a Conjugated Polymer Which Exhibits Stimulated Emission.

NASA Astrophysics Data System (ADS)

Miller, E. Kirk; McGehee, Michael; Diaz-Garcia, Maria; Srikant, V.; Heeger, Alan J.

1998-03-01

We report variable angle spectroscopic ellipsometry (VASE) measurements on thin films of poly(2-butyl-5(2-ethyl-hexyl)-1,4- phenylenevinylene) (BuEH-PPV) in the spectral region below the electronic absorption edge. We find that the films are best described as uniaxially anisotropic, with the optical axis perpendicular to the plane of the film, consistent with the notion that the polymer chains lie preferentially in the plane of the film. Due to the anisotropic distribution of chromophores, the in-plane index of refraction is found to be significantly higher and more dispersive than the out-of- plane index, implying a higher effective index for transverse-electric (TE) waveguide modes than for the corresponding transverse- magnetic (TM) modes. The implications of these data for amplified spontaneous emission (ASE) experiments and in-plane laser structures are discussed.

Fully conjugated tri(perylene bisimides): an approach to the construction of n-type graphene nanoribbons.

PubMed

Qian, Hualei; Negri, Fabrizia; Wang, Chunru; Wang, Zhaohui

2008-12-31

We present an experimental study encompassing synthesis and characterization of fully conjugated tri(perylene bisimides) (triPBIs), having 19 six-membered carbon rings in the core and six imide groups at the edges. Two structural isomers of triPBIs resulting from the two probable coupling positions were successfully separated by HPLC. To assist the identification of the two structural isomers, quantum-chemical calculations of electronic structure, NMR, and optical spectra were carried out. Calculations predict stable helical and nonhelical configurations for both triPBIs isomers and allow the assignment of triPBIs 6 unequivocally to the most bathochromically shifted absorption spectrum. Increasing the number of PBI units in oligo-PBIs leads to an expansion of the pi system, in turn associated with a reduction of the transport and optical band gaps, and a remarkable increase in electron affinities, which make oligo-PBIs promising n-type functional components in optoelectronic devices.

Influences of S, Se, Te and Po substitutions on structural, electronic and optical properties of hexagonal CuAlO2 using GGA and B3LYP functionals.

PubMed

Liu, Qi-Jun; Jiao, Zhen; Liu, Fu-Sheng; Liu, Zheng-Tang

2016-06-07

The effects of X-doping (X = S, Se, Te and Po) on the structural, electronic and optical properties of hexagonal CuAlO2 were studied using first-principles density functional theory. The calculated results showed the obtained lattice constants to increase with increasing atomic number, and the X-doping to be energetically more favorable under Al-rich conditions. The calculated electronic properties showed decreased bandgaps with increasing atomic number, which was due to the better covalent hybridizations after sulfuration doping. The enhanced covalency was further confirmed by calculating the Mulliken atomic populations and bond populations. The density of states indicated the increase of the contribution to antibonding from the X-p states to be a benefit for p-type conductivity. Moreover, the X-doping induced a red shift of the absorption edge.

Effect of Carrier Thermalization Dynamics on Light Emission and Amplification in Organometal Halide Perovskites.

PubMed

Chen, Kai; Barker, Alex J; Morgan, Francis L C; Halpert, Jonathan E; Hodgkiss, Justin M

2015-01-02

The remarkable rise of organometal halide perovskites as solar photovoltaic materials has been followed by promising developments in light-emitting devices, including lasers. Here we present unique insights into the processes leading to photon emission in these materials. We employ ultrafast broadband photoluminescence (PL) and transient absorption spectroscopies to directly link density dependent ultrafast charge dynamics to PL. We find that exceptionally strong PL at the band edge is preceded by thermalization of free charge carriers. Short-lived PL above the band gap is clear evidence of nonexcitonic emission from hot carriers, and ultrafast PL depolarization confirms that uncorrelated charge pairs are precursors to photon emission. Carrier thermalization has a profound effect on amplified stimulated emission at high fluence; the delayed onset of optical gain we resolve within the first 10 ps and the unusual oscillatory behavior are both consequences of the kinetic interplay between carrier thermalization and optical gain.

X-ray absorption spectroscopic studies of mononuclear non-heme iron enzymes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Westre, Tami E.

Fe-K-edge X-ray absorption spectroscopy (XAS) has been used to investigate the electronic and geometric structure of the iron active site in non-heme iron enzymes. A new theoretical extended X-ray absorption fine structure (EXAFS) analysis approach, called GNXAS, has been tested on data for iron model complexes to evaluate the utility and reliability of this new technique, especially with respect to the effects of multiple-scattering. In addition, a detailed analysis of the 1s→3d pre-edge feature has been developed as a tool for investigating the oxidation state, spin state, and geometry of iron sites. Edge and EXAFS analyses have then been appliedmore » to the study of non-heme iron enzyme active sites.« less

Comparative investigation of N donor ligand-lanthanide complexes from the metal and ligand point of view

NASA Astrophysics Data System (ADS)

Prüßmann, T.; Denecke, M. A.; Geist, A.; Rothe, J.; Lindqvist-Reis, P.; Löble, M.; Breher, F.; Batchelor, D. R.; Apostolidis, C.; Walter, O.; Caliebe, W.; Kvashnina, K.; Jorissen, K.; Kas, J. J.; Rehr, J. J.; Vitova, T.

2013-04-01

N-donor ligands such as n-Pr-BTP (2,6-bis(5,6-dipropyl-1,2,4-triazin-3-yl)pyridine) studied here preferentially bind An(III) over Ln(III) in liquid-liquid separation of trivalent ac-tinides from spent nuclear fuel. The chemical and physical processes responsible for this selectivity are not yet well understood. We present systematic comparative near-edge X-ray absorption structure (XANES) spectroscopy investigations at the Gd L3 edge of [GdBTP3](NO3)3, [Gd(BTP)3](OTf)3, Gd(NO3)3, Gd(OTf)3 and N K edge of [Gd(BTP)3](NO3)3, Gd(NO3)3 complexes. The pre-edge absorption resonance in Gd L3 edge high-energy resolution X-ray absorption near edge structure spectra (HR-XANES) is explained as arising from 2p3/2 → 4f/5d electronic transitions by calculations with the FEFF9.5 code. Experimental evidence is found for higher electronic density on Gd in [Gd(BTP)3](NO3)3 and [Gd(BTP)3](OTf)3 compared to Gd in Gd(NO3)3 and Gd(OTf)3, and on N in [Gd(BTP)3](NO3)3 compared to n-Pr-BTP. The origin of the pre-edge structure in the N K edge XANES is explained by density functional theory (DFT) with the ORCA code. Results at the N K edge suggest a change in ligand orbital occupancies and mixing upon complexation but further work is necessary to interpret observed spectral variations.

Identifying anthropogenic uranium compounds using soft X-ray near-edge absorption spectroscopy

NASA Astrophysics Data System (ADS)

Ward, Jesse D.; Bowden, Mark; Tom Resch, C.; Eiden, Gregory C.; Pemmaraju, C. D.; Prendergast, David; Duffin, Andrew M.

2017-01-01

Uranium ores mined for industrial use are typically acid-leached to produce yellowcake and then converted into uranium halides for enrichment and purification. These anthropogenic chemical forms of uranium are distinct from their mineral counterparts. The purpose of this study is to use soft X-ray absorption spectroscopy to characterize several common anthropogenic uranium compounds important to the nuclear fuel cycle. Chemical analyses of these compounds are important for process and environmental monitoring. X-ray absorption techniques have several advantages in this regard, including element-specificity, chemical sensitivity, and high spectral resolution. Oxygen K-edge spectra were collected for uranyl nitrate, uranyl fluoride, and uranyl chloride, and fluorine K-edge spectra were collected for uranyl fluoride and uranium tetrafluoride. Interpretation of the data is aided by comparisons to calculated spectra. The effect of hydration state on the sample, a potential complication in interpreting oxygen K-edge spectra, is discussed. These compounds have unique spectral signatures that can be used to identify unknown samples.

Imaging at an x-ray absorption edge using free electron laser pulses for interface dynamics in high energy density systems [Resonant phase contrast imaging for interface physics

DOE PAGES

Beckwith, M. A.; Jiang, S.; Schropp, A.; ...

2017-05-01

Tuning the energy of an x-ray probe to an absorption line or edge can provide material-specific measurements that are particularly useful for interfaces. Simulated hard x-ray images above the Fe K-edge are presented to examine ion diffusion across an interface between Fe 2O 3 and SiO 2 aerogel foam materials. The simulations demonstrate the feasibility of such a technique for measurements of density scale lengths near the interface with submicron spatial resolution. A proof-of-principle experiment is designed and performed at the Linac coherent light source facility. Preliminary data show the change of the interface after shock compression and heating withmore » simultaneous fluorescence spectra for temperature determination. Here, the results provide the first demonstration of using x-ray imaging at an absorption edge as a diagnostic to detect ultrafast phenomena for interface physics in high-energy-density systems.« less

Ultra-violet and visible absorption characterization of explosives by differential reflectometry.

PubMed

Dubroca, Thierry; Moyant, Kyle; Hummel, Rolf E

2013-03-15

This study presents some optical properties of TNT (2,4,6-trinitrotoluene), RDX, HMX and tetryl, specifically their absorption spectra as a function of concentration in various solvents in the ultraviolet and visible portion of the electromagnetic spectrum. We utilize a standoff explosives detection method, called differential reflectometry (DR). TNT was diluted in six different solvents (acetone, acetonitrile, ethanol, ethyl acetate, methanol, and toluene), which allowed for a direct comparison of absorption features over a wide range of concentrations. A line-shape analysis was adopted with great accuracy (R(2)>0.99) to model the absorption features of TNT in differential reflectivity spectra. We observed a blue shift in the pertinent absorption band with decreasing TNT concentration for all solvents. Moreover, using this technique, it was found that for all utilized solvents the concentration of TNT as well as of RDX, HMX, and tetryl, measured as a function of the transition wavelength of the ultra-violet absorption edge in differential reflectivity spectra shows three distinct regions. A model is presented to explain this behavior which is based on intermolecular hydrogen bonding of explosives molecules with themselves (or lack thereof) at different concentrations. Other intermolecular forces such as dipole-dipole interactions, London dispersion forces and π-stacking contribute to slight variations in the resulting spectra, which were determined to be rather insignificant in comparison to hydrogen bonding. The results are aimed towards a better understanding of the DR spectra of explosives energetic materials. Copyright © 2012 Elsevier B.V. All rights reserved.

Optical Manifestations of the Electron-Electron Interaction

NASA Astrophysics Data System (ADS)

Portengen, Taco

1995-01-01

In this thesis, two optical manifestations of the electron-electron interaction are studied: the Fermi -edge singularity in doped quantum wells and quantum wires, and second-harmonic generation in mixed-valent compounds. First, we construct a theory of the Fermi-edge singularity that can systematically account for the finite mass of a hole created in the valence subband of a quantum well or quantum wire. The dynamical response for finite hole mass depends crucially on the dimensionality of the Fermi sea. Whereas in three dimensions the infrared divergence is suppressed, in two dimensions a one-over-square-root singularity survives, while in one dimension the spectrum is even more singular with recoil than without recoil. This explains the large optical singularities observed in quantum wires. Correlations change the prefactor, but not the exponent of the threshold behaviour in two and in three dimensions, while in one dimension, they affect neither the prefactor nor the exponent. Second, we apply our theory to the Frohlich polaron, a manifestation of the electron-phonon rather than the electron-electron interaction. The new method of calculating the Green's function removes unphysical features of the conventional cumulant expansion that had remained unnoticed in the literature up to now. Third, in an effort to investigate the impact of coherence on optical properties, we calculate the linear and nonlinear optical characteristics of mixed-valent compounds. Second -harmonic generation can only occur for solutions of the theoretical Falicov-Kimball model that have a built-in coherence between the itinerant d-electrons and localized f-holes. By contrast, second-harmonic generation cannot occur for solutions with f-site occupation as a good quantum number. The interaction between optically created quasiparticles leads to a threshold singularity in the absorption spectrum, and greatly enhances the second-harmonic conversion efficiency at half the gap frequency. As an experimental test of coherence we propose the measurement of the second-harmonic susceptibility of SmB_6..

The use of C-near edge X-ray absorption fine structure spectroscopy for the elaboration of chemistry in lignocellulosics

Treesearch

Lucian A. Lucia; Hiroki Nanko; Alan W. Rudie; Doug G. Mancosky; Sue Wirick

2006-01-01

The research presented elucidates the oxidation chemistry occurring in hydrogen peroxide bleached kraft pulp fibers by employing carbon near edge x-ray absorption fine structure spectroscopy (C-NEXAFS). C-NEXAFS is a soft x-ray technique that selectively interrogates atomic moieties using photoelectrons (Xrays) of variable energies. The X1A beam line at the National...

Passive thermo-optic feedback for robust athermal photonic systems

DOEpatents

Rakich, Peter T.; Watts, Michael R.; Nielson, Gregory N.

2015-06-23

Thermal control devices, photonic systems and methods of stabilizing a temperature of a photonic system are provided. A thermal control device thermally coupled to a substrate includes a waveguide for receiving light, an absorption element optically coupled to the waveguide for converting the received light to heat and an optical filter. The optical filter is optically coupled to the waveguide and thermally coupled to the absorption element. An operating point of the optical filter is tuned responsive to the heat from the absorption element. When the operating point is less than a predetermined temperature, the received light is passed to the absorption element via the optical filter. When the operating point is greater than or equal to the predetermined temperature, the received light is transmitted out of the thermal control device via the optical filter, without being passed to the absorption element.

Effects of Na Doping on Structural, Optical, and Electronic Properties of ZnO Thin Films Fabricated by Sol-Gel Technique

NASA Astrophysics Data System (ADS)

Fan, Heliang; Yao, Zhen; Xu, Cheng; Wang, Xinqiang; Yu, Zhichao

2018-04-01

Undoped and Na-doped ZnO thin films were fabricated by sol-gel technique on quartz glass substrates and annealed at 500°C for 1 h. The structural properties of the films were characterized using x-ray diffraction analysis, which revealed hexagonal wurtzite structure with no peaks corresponding to Na2O or other Na phases being found. Surface morphology observations by scanning electron microscopy revealed that the crystallite size and topographical properties of the ZnO films were influenced by the Na doping concentration. X-ray photoelectron spectra revealed presence of Na+ in ZnO regime. The transmittance spectra indicated that the average transmittance of Na-doped ZnO film was above 80% in the visible range, superior to that of the undoped film. There was a blue-shift in the ultraviolet absorption edge with increase of the Na content. Photoluminescence spectra illustrated two peaks, corresponding to ultraviolet near-band-edge and visible emission.

Classical Accreting Pulsars with NICER

NASA Technical Reports Server (NTRS)

Wilson-Hodge, Colleen A.

2014-01-01

Soft excesses are very common center dot Lx > 1038 erg/s - reprocessing by optically thick material at the inner edge of the accretion disk center dot Lx < 1036 erg/s - photoionized or collisionally heated diffuse gas or thermal emission from the NS surface center dot Lx 1037 erg/s - either or both types of emission center dot NICER observations of soft excesses in bright X-ray pulsars combined with reflection modeling will constrain the ionization state, metalicity and dynamics of the inner edge of the magnetically truncated accretion disk Reflection models of an accretion disk for a hard power law - Strong soft excess below 3 keV from hot X-ray heated disk - For weakly ionized case: strong recombination lines - Are we seeing changes in the disk ionization in 4U1626-26? 13 years of weekly monitoring with RXTE PCA center dot Revealed an unexpectedly large population of Be/X-ray binaries compared to the Milky Way center dot Plotted luminosities are typical of "normal" outbursts (once per orbit) center dot The SMC provides an excellent opportunity to study a homogenous population of HMXBs with low interstellar absorption for accretion disk studies. Monitoring with NICER will enable studies of accretion disk physics in X-ray pulsars center dot The SMC provides a potential homogeneous low-absorption population for this study center dot NICER monitoring and TOO observations will also provide measurements of spinfrequencies, QPOs, pulsed fluxes, and energy spectra.

Role of Ce 4 + in the scintillation mechanism of codoped Gd 3 Ga 3 Al 2 O 12 : Ce

DOE PAGES

Wu, Yuntao; Meng, Fang; Li, Qi; ...

2014-10-17

To control the time-response performance of widely used cerium-activated scintillators in cutting-edge medical-imaging devices, such as time-of-flight positron-emission tomography, a comprehensive understanding of the role of Ce valence states, especially stable Ce 4+, in the scintillation mechanism is essential. However, despite some progress made recently, an understanding of the physical processes involving Ce 4+ is still lacking. The aim of this work is to clarify the role of Ce 4+ in scintillators by studying Ca 2+ codoped Gd 3Ga 3Al 2O1 2∶Ce (GGAG∶Ce). By using a combination of optical absorption spectra and x-ray absorption near-edge spectroscopies, the correlation between Ca 2+codopingmore » content and the Ce 4+ fraction is seen. The energy-level diagrams of Ce 3+ and Ce 4+ in the Gd 3Ga 3Al 2O 12 host are established by using theoretical and experimental methods, which indicate a higher position of the 5d 1 state of Ce 4+ in the forbidden gap in comparison to that of Ce 3+. Underlying reasons for the decay-time acceleration resulting from Ca 2+ codoping are revealed, and the physical processes of the Ce 4+-emission model are proposed and further demonstrated by temperature-dependent radioluminescence spectra under x-ray excitation.« less

Role of Ce4+ in the Scintillation Mechanism of Codoped Gd3Ga3Al2O12∶Ce

NASA Astrophysics Data System (ADS)

Wu, Yuntao; Meng, Fang; Li, Qi; Koschan, Merry; Melcher, Charles L.

2014-10-01

To control the time-response performance of widely used cerium-activated scintillators in cutting-edge medical-imaging devices, such as time-of-flight positron-emission tomography, a comprehensive understanding of the role of Ce valence states, especially stable Ce44, in the scintillation mechanism is essential. However, despite some progress made recently, an understanding of the physical processes involving Ce4+ is still lacking. The aim of this work is to clarify the role of Ce4+ in scintillators by studying Ca2+ codoped Gd3Ga3Al2O12∶Ce (GGAG ∶Ce). By using a combination of optical absorption spectra and x-ray absorption near-edge spectroscopies, the correlation between Ca2+ codoping content and the Ce4+ fraction is seen. The energy-level diagrams of Ce3+ and Ce4+ in the Gd3Ga3Al2O12 host are established by using theoretical and experimental methods, which indicate a higher position of the 5d1 state of Ce4+ in the forbidden gap in comparison to that of Ce3+. Underlying reasons for the decay-time acceleration resulting from Ca2+ codoping are revealed, and the physical processes of the Ce4+-emission model are proposed and further demonstrated by temperature-dependent radioluminescence spectra under x-ray excitation.

Precision optical slit for high heat load or ultra high vacuum

DOEpatents

Andresen, N.C.; DiGennaro, R.S.; Swain, T.L.

1995-01-24

This invention relates generally to slits used in optics that must be precisely aligned and adjusted. The optical slits of the present invention are useful in x-ray optics, x-ray beam lines, optical systems in which the entrance slit is critical for high wavelength resolution. The invention is particularly useful in ultra high vacuum systems where lubricants are difficult to use and designs which avoid the movement of metal parts against one another are important, such as monochromators for high wavelength resolution with ultra high vacuum systems. The invention further relates to optical systems in which temperature characteristics of the slit materials is important. The present invention yet additionally relates to precision slits wherein the opposing edges of the slit must be precisely moved relative to a center line between the edges with each edge retaining its parallel orientation with respect to the other edge and/or the center line. 21 figures.

Precision optical slit for high heat load or ultra high vacuum

DOEpatents

Andresen, Nord C.; DiGennaro, Richard S.; Swain, Thomas L.

1995-01-01

This invention relates generally to slits used in optics that must be precisely aligned and adjusted. The optical slits of the present invention are useful in x-ray optics, x-ray beam lines, optical systems in which the entrance slit is critical for high wavelength resolution. The invention is particularly useful in ultra high vacuum systems where lubricants are difficult to use and designs which avoid the movement of metal parts against one another are important, such as monochrometers for high wavelength resolution with ultra high vacuum systems. The invention further relates to optical systems in which temperature characteristics of the slit materials is important. The present invention yet additionally relates to precision slits wherein the opposing edges of the slit must be precisely moved relative to a center line between the edges with each edge retaining its parallel orientation with respect to the other edge and/or the center line.

Combined Mössbauer spectroscopic, multi-edge X-ray absorption spectroscopic, and density functional theoretical study of the radical SAM enzyme spore photoproduct lyase.

PubMed

Silver, Sunshine C; Gardenghi, David J; Naik, Sunil G; Shepard, Eric M; Huynh, Boi Hanh; Szilagyi, Robert K; Broderick, Joan B

2014-03-01

Spore photoproduct lyase (SPL), a member of the radical S-adenosyl-L-methionine (SAM) superfamily, catalyzes the direct reversal of the spore photoproduct, a thymine dimer specific to bacterial spores, to two thymines. SPL requires SAM and a redox-active [4Fe-4S] cluster for catalysis. Mössbauer analysis of anaerobically purified SPL indicates the presence of a mixture of cluster states with the majority (40 %) as [2Fe-2S](2+) clusters and a smaller amount (15 %) as [4Fe-4S](2+) clusters. On reduction, the cluster content changes to primarily (60 %) [4Fe-4S](+). The speciation information from Mössbauer data allowed us to deconvolute iron and sulfur K-edge X-ray absorption spectra to uncover electronic (X-ray absorption near-edge structure, XANES) and geometric (extended X-ray absorption fine structure, EXAFS) structural features of the Fe-S clusters, and their interactions with SAM. The iron K-edge EXAFS data provide evidence for elongation of a [2Fe-2S] rhomb of the [4Fe-4S] cluster on binding SAM on the basis of an Fe···Fe scatterer at 3.0 Å. The XANES spectra of reduced SPL in the absence and presence of SAM overlay one another, indicating that SAM is not undergoing reductive cleavage. The X-ray absorption spectroscopy data for SPL samples and data for model complexes from the literature allowed the deconvolution of contributions from [2Fe-2S] and [4Fe-4S] clusters to the sulfur K-edge XANES spectra. The analysis of pre-edge features revealed electronic changes in the Fe-S clusters as a function of the presence of SAM. The spectroscopic findings were further corroborated by density functional theory calculations that provided insights into structural and electronic perturbations that can be correlated by considering the role of SAM as a catalyst or substrate.

X-ray absorption in insulators with non-Hermitian real-time time-dependent density functional theory.

PubMed

Fernando, Ranelka G; Balhoff, Mary C; Lopata, Kenneth

2015-02-10

Non-Hermitian real-time time-dependent density functional theory was used to compute the Si L-edge X-ray absorption spectrum of α-quartz using an embedded finite cluster model and atom-centered basis sets. Using tuned range-separated functionals and molecular orbital-based imaginary absorbing potentials, the excited states spanning the pre-edge to ∼20 eV above the ionization edge were obtained in good agreement with experimental data. This approach is generalizable to TDDFT studies of core-level spectroscopy and dynamics in a wide range of materials.

Molecular gas in supernova local environments unveiled by EDGE

NASA Astrophysics Data System (ADS)

Galbany, L.; Mora, L.; González-Gaitán, S.; Bolatto, A.; Dannerbauer, H.; López-Sánchez, Á. R.; Maeda, K.; Pérez, S.; Pérez-Torres, M. A.; Sánchez, S. F.; Wong, T.; Badenes, C.; Blitz, L.; Marino, R. A.; Utomo, D.; Van de Ven, G.

2017-06-01

CO observations allow estimation of the gas content of molecular clouds, which trace the reservoir of cold gas fuelling star formation, as well as determination of extinction via H2 column density, N(H2). Here, we study millimetric and optical properties at 26 supernovae (SNe) locations of different types in a sample of 23 nearby galaxies, by combining molecular 12C16O (J = 1 → 0) resolved maps from the Extragalactic Database for Galaxy Evolution (EDGE) survey and optical Integral Field Spectroscopy (IFS) from the Calar Alto Legacy Integral Field Area (CALIFA) survey. We found an even clearer separation between type II and type Ibc SNe in terms of molecular gas than is found in the optical using Hα emission as a proxy for the current star formation (SF) rate, which reinforces the fact that SNe Ibc are more associated with SF environments. While AV at SN locations is similar for SNe II and SNe Ibc and higher than for SNe Ia, N(H2) is significantly higher for SNe Ibc than for SNe II and Ia. When compared with alternative extinction estimations made directly from SN photometry and spectroscopy, we find that our SNe Ibc also have redder colour excess, but showed standard Na I D absorption pseudo-equivalent widths (˜1 Å). In some cases, we find no extinction when IT is estimated from the environment but high amounts of extinction when measured from SN observations, which suggests that circumstellar material or dust sublimation may be playing a role. This work serves as a benchmark for future studies combining last-generation millimetre and optical IFS instruments to reveal the local environmental properties of extragalactic SNe.

Effects of deposition temperatures on structure and physical properties of Cd 1-xZn xTe films prepared by RF magnetron sputtering

NASA Astrophysics Data System (ADS)

Zeng, Dongmei; Jie, Wanqi; Zhou, Hai; Yang, Yingge

2010-02-01

Cd 1-xZn xTe films were deposited by RF magnetron sputtering from Cd 0.9Zn 0.1Te crystals target at different substrate temperatures (100-400 °C). The effects of the deposition temperature on structure and physical properties of Cd 1-xZn xTe films have been studied using X-ray diffraction (XRD), step profilometer, atomic force microscopy (AFM), ultraviolet spectrophotometer and Hall effect measurements. X-ray studies suggest that the deposited films were polycrystalline with preferential (1 1 1) orientation. AFM micrographs show that the grain size was changed from 50 to 250 nm with the increase of deposition temperatures, the increased grain size may result from kinetic factors during sputtering growth. The optical transmission data indicate that shallow absorption edge occurs in the range of 744-835 nm and that the optical absorption coefficient is varied with the increase of deposition temperatures. In Hall Effect measurements, the sheet resistivities of the deposited films are 3.2×10 8, 3.0×10 8, 1.9×10 8 and 1.1×10 8 Ohm/sq, which were decreased with the increase of substrate temperatures. Analysis of the resistivity of films depended on the substrate temperatures is discussed.

Absorption and scattering by interstellar dust in the silicon K-edge of GX 5-1

NASA Astrophysics Data System (ADS)

Zeegers, S. T.; Costantini, E.; de Vries, C. P.; Tielens, A. G. G. M.; Chihara, H.; de Groot, F.; Mutschke, H.; Waters, L. B. F. M.; Zeidler, S.

2017-03-01

Context. We study the absorption and scattering of X-ray radiation by interstellar dust particles, which allows us to access the physical and chemical properties of dust. The interstellar dust composition is not well understood, especially on the densest sight lines of the Galactic plane. X-rays provide a powerful tool in this study. Aims: We present newly acquired laboratory measurements of silicate compounds taken at the Soleil synchrotron facility in Paris using the Lucia beamline. The dust absorption profiles resulting from this campaign were used in this pilot study to model the absorption by interstellar dust along the line of sight of the low-mass X-ray binary GX 5-1. Methods: The measured laboratory cross-sections were adapted for astrophysical data analysis and the resulting extinction profiles of the Si K-edge were implemented in the SPEX spectral fitting program. We derive the properties of the interstellar dust along the line of sight by fitting the Si K-edge seen in absorption in the spectrum of GX 5-1. Results: We measured the hydrogen column density towards GX 5-1 to be 3.40 ± 0.1 × 1022 cm-2. The best fit of the silicon edge in the spectrum of GX 5-1 is obtained by a mixture of olivine and pyroxene. In this study, our modeling is limited to Si absorption by silicates with different Mg:Fe ratios. We obtained an abundance of silicon in dust of 4.0 ± 0.3 × 10-5 per H atom and a lower limit for total abundance, considering both gas and dust of >4.4 × 10-5 per H atom, which leads to a gas to dust ratio of >0.22. Furthermore, an enhanced scattering feature in the Si K-edge may suggest the presence of large particles along the line of sight.

Scanning electron microscopic characteristics of commercially available 1- and 3-piece intraocular lenses.

PubMed

Brockmann, Tobias; Brockmann, Claudia; Nietzsche, Sandor; Bertelmann, Eckart; Strobel, Juergen; Dawczynski, Jens

2013-12-01

To evaluate commercially available 1- and 3-piece intraocular lenses (IOLs) with scanning electron microscopy (SEM). Department of Ophthalmology and Electron Microscopy Center, University Hospital Jena, Jena, Germany. Experimental study. Seven +23.0 diopter IOLs of different design and material and from different manufacturers were chosen for a detailed assessment. Scanning electron microscopy was used at standardized magnifications to assess typical IOL characteristics. The particular focus was the optic edge, the optic surface, the haptic–optic junction, and the haptic. All square-edged IOLs had a curvature radius of less than 10 μm, while the mean optic edge thickness ranged between 216 μm and 382 μm. A 360-degree square-edged boundary was present in all 3-piece IOLs and in a single 1-piece model. Relevant production remnants on the optic edge were observed in 1 case. Regarding the haptic, 3-piece IOLs had uniformly shaped fibers with a mean thickness of 177 μm ± 51 (SD) (range 116 to 220 μm). Chemical adhesives were used to attach the haptic in 1 case, where alterations of the IOL material were observed. In another case, the haptic fiber was press-fitted into the optic, which resulted in bulging of the optic profile. Inspection of surface characteristics showed wavelike patterns in 2 IOLs. Taking clinical relevance into account, all IOLs were of high manufacturing quality. Certain attention was paid in creating a sharp optic edge. Surface irregularities of 2 IOLs were attributed to the manufacturing technique. Methods for implementing the haptic–optic junction were diverse.

Detection of metal stress in boreal forest species using the 0.67-micron chlorophyll absorption band

NASA Technical Reports Server (NTRS)

Singhroy, Vernon H.; Kruse, Fred A.

1991-01-01

Several recent studies have shown that a shift of the red-edge inflection near 0.70 micron in vegetation reflectance spectra is an indicator of metal stress, partially attributable to changes in chlorophyll concentration. This 'red-edge shift', however, is difficult to detect and has been reported both toward longer (red) and shorter (blue) wavelengths. Our work demonstrates that direct measurement of the depth and width of the chlorophyll absorption band at 0.67 micron using digital feature extraction and absorption band characterization procedures developed for the analysis of mineral spectra is a more consistent indicator of metal stress. Additionally, the magnitude of these parameters is generally greater than that of the red edge shift and thus should be more amenable to detection and mapping using field and aircraft spectrometers.

Soft x-ray absorption spectra of ilmenite family.

PubMed

Agui, A; Mizumaki, M; Saitoh, Y; Matsushita, T; Nakatani, T; Fukaya, A; Torikai, E

2001-03-01

We have carried out soft x-ray absorption spectroscopy to study the electronic structure of ilmenite family, such as MnTiO3, FeTiO3, and CoTiO3 at the soft x-ray beamline, BL23SU, at the SPring-8. The Ti and M L2,3 absorption spectra of MTiO3 (M=Mn, Fe, and Co) show spectra of Ti4+ and M2+ electron configurations, respectively. Except the Fe L2,3 spectrum, those spectra were understood within the O(h) symmetry around the transition metal ions. The Fe L3-edge spectrum clearly shows a doublet peak at the L3 edge, which is attributed to Fe2+ state, moreover the very high-resolution the L-edge spectra of transition metals show fine structures. The spectra of those ilmenites are compared.

Dynamical Study of Femtosecond-Laser-Ablated Liquid-Aluminum Nanoparticles Using Spatiotemporally Resolved X-Ray-Absorption Fine-Structure Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oguri, Katsuya; Okano, Yasuaki; Nishikawa, Tadashi

2007-10-19

We study the temperature evolution of aluminum nanoparticles generated by femtosecond laser ablation with spatiotemporally resolved x-ray-absorption fine-structure spectroscopy. We successfully identify the nanoparticles based on the L-edge absorption fine structure of the ablation plume in combination with the dependence of the edge structure on the irradiation intensity and the expansion velocity of the plume. In particular, we show that the lattice temperature of the nanoparticles is estimated from the L-edge slope, and that its spatial dependence reflects the cooling of the nanoparticles during plume expansion. The results reveal that the emitted nanoparticles travel in a vacuum as a condensedmore » liquid phase with a lattice temperature of about 2500 to 4200 K in the early stage of plume expansion.« less

Nonlinear optical switching and optical limiting in colloidal CdSe quantum dots investigated by nanosecond Z-scan measurement

NASA Astrophysics Data System (ADS)

Valligatla, Sreeramulu; Haldar, Krishna Kanta; Patra, Amitava; Desai, Narayana Rao

2016-10-01

The semiconductor nanocrystals are found to be promising class of third order nonlinear optical materials because of quantum confinement effects. Here, we highlight the nonlinear optical switching and optical limiting of cadmium selenide (CdSe) quantum dots (QDs) using nanosecond Z-scan measurement. The intensity dependent nonlinear absorption and nonlinear refraction of CdSe QDs were investigated by applying the Z-scan technique with 532 nm, nanosecond laser pulses. At lower intensities, the nonlinear process is dominated by saturable absorption (SA) and it is changed to reverse saturable absorption (RSA) at higher intensities. The SA behaviour is attributed to the ground state bleaching and the RSA is ascribed to free carrier absorption (FCA) of CdSe QDs. The nonlinear optical switching behaviour and reverse saturable absorption makes CdSe QDs are good candidate for all-optical device and optical limiting applications.

Examination of the Measurement of Absorption Using the Reverberant Room Method for Highly Absorptive Acoustic Foam

NASA Technical Reports Server (NTRS)

Hughes, William O.; McNelis, Anne M.; Chris Nottoli; Eric Wolfram

2015-01-01

The absorption coefficient for material specimens are needed to quantify the expected acoustic performance of that material in its actual usage and environment. The ASTM C423-09a standard, "Standard Test Method for Sound Absorption and Sound Absorption Coefficients by the Reverberant Room Method" is often used to measure the absorption coefficient of material test specimens. This method has its basics in the Sabine formula. Although widely used, the interpretation of these measurements are a topic of interest. For example, in certain cases the measured Sabine absorption coefficients are greater than 1.0 for highly absorptive materials. This is often attributed to the diffraction edge effect phenomenon. An investigative test program to measure the absorption properties of highly absorbent melamine foam has been performed at the Riverbank Acoustical Laboratories. This paper will present and discuss the test results relating to the effect of the test materials' surface area, thickness and edge sealing conditions. A follow-on paper is envisioned that will present and discuss the results relating to the spacing between multiple piece specimens, and the mounting condition of the test specimen.

Electro-optic crystal mosaics for the generation of terahertz radiation

DOEpatents

Carrig, Timothy J.; Taylor, Antoinette J.; Stewart, Kevin R.

1996-01-01

Apparatus for the generation of high energy terahertz radiation is presented and comprises laser means effective to produce subpicosecond optical pulses and a mosaic comprising a plurality of planar electro-optic crystals fastened together edge to edge in the form of a grid. The electro-optic crystals are in optical communication with the subpicosecond optical pulses, and behave as a single large electro-optic crystal, producing high energy terahertz radiation by way of optical rectification.

Electro-optic crystal mosaics for the generation of terahertz radiation

DOEpatents

Carrig, T.J.; Taylor, A.J.; Stewart, K.R.

1996-08-06

Apparatus for the generation of high energy terahertz radiation is presented and comprises laser means effective to produce subpicosecond optical pulses and a mosaic comprising a plurality of planar electro-optic crystals fastened together edge to edge in the form of a grid. The electro-optic crystals are in optical communication with the subpicosecond optical pulses, and behave as a single large electro-optic crystal, producing high energy terahertz radiation by way of optical rectification. 5 figs.

Internal standards in fluorescent X-ray spectroscopy1 1 Publication authorized by the Director, U.S. Geological Survey.

USGS Publications Warehouse

Adler, I.; Axelrod, J.M.

1955-01-01

The use of internal standards in the analysis of ores and minerals of widely-varying matrix by means of fluorescent X-ray spectroscopy is frequently the most practical approach. Internal standards correct for absorption and enhancement effects except when an absorption edge falls between the comparison lines or a very strong emission line falls between the absorption edges responsible for the comparison lines. Particle size variations may introduce substantial errors. One method of coping with the particle size problem is grinding the sample with an added abrasive. ?? 1955.

Ultrapressure materials science

NASA Technical Reports Server (NTRS)

Ruoff, A. L.

1984-01-01

Three active areas of research at ultra pressure are pursued, i.e., diffraction studies with the Cornell High Energy Synchrotron Source (CHESS), band gap and absorption edge effects, indentor-anvil experiments and theory and research to attain higher pressures. The range over which X-ray diffraction data and absorption edge data are obtained is extended to 700 kbars. Using the indentor technique pressures of 2.1 Mbars are obtained. Research results and methods are discussed.

Novel visualization studies of lignocellulosic oxidation chemistry by application of C-near edge X-ray absorption fine structure spectroscopy

Treesearch

Douglas G. Mancosky; Lucian A. Lucia; Hiroki Nanko; Sue Wirick; Alan W. Rudie; Robert Braun

2005-01-01

The research presented herein is the first attempt to probe the chemical nature of lignocellulosic samples by the application of carbon near edge X-ray absorption fine structure spectroscopy (C-NEXAFS). C-NEXAFS is a soft X-ray technique that principally provides selective interrogation of discrete atomic moieties using photoelectrons of variable energies. The X1A beam...

A high pressure La K-edge X-ray absorption fine structure spectroscopy investigation of La1/3NbO3

NASA Astrophysics Data System (ADS)

Marini, C.; Joseph, B.; Noked, O.; Shuker, R.; Kennedy, B. J.; Mathon, O.; Pascarelli, S.; Sterer, E.

2018-01-01

La K-edge X-ray absorption spectroscopy has been used to elucidate the changes in the local electronic and lattice structure that occur in the A-site deficient double perovskite La?NbO? up to 6 GPa. The pressure evolution of the oxygen dodecahedrum around the A-site has been examined. XANES (X-ray absorption near edge structure) data show modifications ascribed to the increase of bands overlapping as a consequence of the bond distance contraction, which has been directly probed by EXAFS (extended x-ray absorption fine structure) spectra. The La-O Debye Waller factors (DWFs) tend to increase whereas the La-Nb bond DWFs show only a tendency to decrease indicating the robustness of the crystal lattice structure, even in presence of the oxygen disordering. This permits the system to reverse back to its original conditions in this pressure range as evident from the measurements upon pressure release. The present results have been interpreted in the light of charge transfer related to the two-step reduction mechanism acting at the Nb site (with niobium ions passing from Nb? to Nb?) which also results in the elongation of the Nb-O bond distances in the octahedra, in agreement with the Nb K-edge results reported earlier.

The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

NASA Astrophysics Data System (ADS)

Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

2004-05-01

X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2Ge 0.8Cr 0.2O 4, Ba 2Ge 0.1Cr 0.9O 4, Sr 2CrO 4, Ca 2(PO 4) x(CrO 4) 1- xCl ( x=0.25,0.5), Ca 5(CrO 4) 3Cl, CrO 3, the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3, CrF 3, Cr 2O 3, KCr(SO 4) 2 · 12H 2O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

Local structure in LaMnO3 and CaMnO3 perovskites: A quantitative structural refinement of Mn K -edge XANES data

NASA Astrophysics Data System (ADS)

Monesi, C.; Meneghini, C.; Bardelli, F.; Benfatto, M.; Mobilio, S.; Manju, U.; Sarma, D. D.

2005-11-01

Hole-doped perovskites such as La1-xCaxMnO3 present special magnetic and magnetotransport properties, and it is commonly accepted that the local atomic structure around Mn ions plays a crucial role in determining these peculiar features. Therefore experimental techniques directly probing the local atomic structure, like x-ray absorption spectroscopy (XAS), have been widely exploited to deeply understand the physics of these compounds. Quantitative XAS analysis usually concerns the extended region [extended x-ray absorption fine structure (EXAFS)] of the absorption spectra. The near-edge region [x-ray absorption near-edge spectroscopy (XANES)] of XAS spectra can provide detailed complementary information on the electronic structure and local atomic topology around the absorber. However, the complexity of the XANES analysis usually prevents a quantitative understanding of the data. This work exploits the recently developed MXAN code to achieve a quantitative structural refinement of the Mn K -edge XANES of LaMnO3 and CaMnO3 compounds; they are the end compounds of the doped manganite series LaxCa1-xMnO3 . The results derived from the EXAFS and XANES analyses are in good agreement, demonstrating that a quantitative picture of the local structure can be obtained from XANES in these crystalline compounds. Moreover, the quantitative XANES analysis provides topological information not directly achievable from EXAFS data analysis. This work demonstrates that combining the analysis of extended and near-edge regions of Mn K -edge XAS spectra could provide a complete and accurate description of Mn local atomic environment in these compounds.

Aging effects of the precursor solutions on the properties of spin coated Ga-doped ZnO thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Serrao, Felcy Jyothi, E-mail: jyothiserrao@gmail.com; Dharmaprakash, S. M.

2015-06-24

In this study, gallium doped zinc oxide thin films (GZO) were grown on a glass substrate by a simple sol-gel process and spin coating technique using zinc acetate and gallium nitrate (3at%) as precursors for Zn and Ga ions respectively. The effects of aging time of the precursor solution on the structural and optical properties of the GZO films were investigated. The surface morphology, grain size, film thickness and optical properties of the GZO films were found to depend directly on the sol aging time. XRD studies reveal that the films are polycrystalline with a hexagonal wurtzite structure and showmore » the c-axis grain orientation. Optical transmittance spectra of all the films exhibited transmittance higher than about 82% within the visible wavelength region. A sharp fundamental absorption edge with a slight blue shifting was observed with an increase in sol aging time which can be explained by Burstein-Moss effect. The result indicates that an appropriate aging time of the sol is important for the improvement of the structural and optical properties of GZO thin films derived from sol-gel method.« less

Crystal growth and optical characteristics of beryllium-free polyphosphate, KLa(PO3)4, a possible deep-ultraviolet nonlinear optical crystal

NASA Astrophysics Data System (ADS)

Shan, Pai; Sun, Tongqing; Chen, Hong; Liu, Hongde; Chen, Shaolin; Liu, Xuanwen; Kong, Yongfa; Xu, Jingjun

2016-04-01

Deep-ultraviolet nonlinear optical crystals are of great importance as key materials in generating coherent light with wavelength below 200 nm through cascaded frequency conversion of solid-state lasers. However, the solely usable crystal in practice, KBe2BO3F2 (KBBF), is still commercially unavailable because of the high toxicity of beryllium-containing and the extreme difficulty of crystal growth. Here, we report the crystal growth and characteristics of an beryllium-free polyphosphate, KLa(PO3)4. Centimeter-sized single crystals have been easily obtained by the flux method and slow-cooling technique. The second-harmonic generation efficiency of KLa(PO3)4 powder is 0.7 times that of KH2PO4; moreover, the KLa(PO3)4 crystal is phase-matchable. Remarkably, the KLa(PO3)4 crystal exhibits an absorption edge of 162 nm, which is the shortest among phase-matchable phosphates so far. These attributes make KLa(PO3)4 a possible deep-ultraviolet nonlinear optical crystal. An analysis of the dipole moments of the polyhedra and theoretical calculations by density functional theory were made to elucidate the structure-properties relationships of KLa(PO3)4.

Synthesis, characterization and optical studies of conjugated Schiff base polymer containing thieno[3,2-b]thiophene and 1,2,4-triazole groups

NASA Astrophysics Data System (ADS)

Cetin, Adnan; Korkmaz, Adem; Kaya, Esin

2018-02-01

A conjugated polyschiff base (poly(N-thieno[3,2-b]thiophen-2-yl)methylene)-1H-1,2,4-triazol-5-amine) poly(TTMA)) was synthesized by condensation polymerization between thieno[3,2-b]thiophene-2,5-dicarboxaldehyde and 3,5-diamino-1,2,4-triazole. The poly(TTMA) was characterized by FT-IR, 1H NMR, 13C NMR spectra and thermal analysis. The number average molecular weight (Mn) and polydispersity index of the poly(TTMA) were determined by gel permeation chromatography (GPC). In addition, the optical properties of the poly(TTMA) solutions were investigated at different molarities. The band gap Eg value of the poly(TTMA) decreased with the increasing molarity. The absorption band edge values of the poly(TTMA) decreased as the molarity increased. The average transmittance values of the poly(TTMA) increased with the increasing molarity and the highest values of molar extinction coefficient also were found in the near ultraviolet region. Its values decreased with the increasing molarity. These results showed that the poly(TTMA) can be used for the fabrication of many optoelectronic devices due to its suitable optical properties and low optical band gap.

Laser induced Te diffusion in amorphous As50Se50 thin films probed by FTIR and XPS

NASA Astrophysics Data System (ADS)

Behera, Mukta; Panda, Rozalin; Naik, Ramakanta

2017-05-01

In the present report, we have demonstrated the combine effect of deposition and photo diffusion of Te into As50Se50 chalcogenide thin films. The influence of Te deposition onto As50Se50 layer has modified the optical parameters. The thermally evaporated Te/As50Se50 bilayer film is irradiated with near bandgap laser light. The optical and structural property of Te/As50Se50 bilayer film under the influence of laser irradiation has been investigated by X-ray photo electron spectroscopy and Fourier transform infrared spectroscopy. The As3d, Se3d and Te4d core level peaks of the photo diffused film show significant changes in shape and position in comparisons with those obtained for non irradiated films. The extensive analysis by deconvoluting the spectra shows the Te diffusion into As50Se50 matrix by forming Te-As-Se layer. The optical band gap of the diffused region is found to be decreased with the increase of density of states in the band edge. The change in transmissivity and absorption coefficient modified the optical constants which is discussed in the light of the present result.

Effect of zirconium oxide nanofiller and dibutyl phthalate plasticizer on ionic conductivity and optical properties of solid polymer electrolyte.

PubMed

Yasin, Siti Mariah Mohd; Ibrahim, Suriani; Johan, Mohd Rafie

2014-01-01

New solid polymer electrolytes (SPE) based on poly(ethylene oxide) (PEO) doped with lithium trifluoromethanesulfonate (LiCF3SO3), dibutyl phthalate (DBP) plasticizer, and zirconium oxide (ZrO2) nanoparticles were prepared by solution-casting technique. The conductivity was enhanced by addition of dibutyl phthalate (DBP) plasticizer and ZrO2 nanofiller with maximum conductivity (1.38 × 10(-4) Scm(-1)). The absorption edge and band gap values showed decreases upon addition of LiSO3CF3, DBP, and ZrO2 due to the formation of localized states in the SPE and the degree of disorder in the films increased.

Fine-tuning of electronic properties in donor-acceptor conjugated polymers based on oligothiophenes

NASA Astrophysics Data System (ADS)

Imae, Ichiro; Sagawa, Hitoshi; Harima, Yutaka

2018-03-01

A novel series of donor-acceptor conjugated polymers having oligothiophenes with well-defined structures were synthesized and their optical, electrochemical, and photovoltaic properties were investigated. It was found that the absorption bands of polymers were red-shifted with increasing number of ethylenedioxy groups added to each oligothiophene unit and that their band edges reached over 1000 nm. The systematical fine-tuning of the electronic properties was achieved using the chemical structures of oligothiophene units. Photovoltaic cells based on polymer/(6,6)-phenyl C61 butyric acid methyl ester (PC61BM) exhibited power conversion efficiencies in the range from 0.004 to 1.10%, reflecting the electronic properties of the polymers.

Effect of Zirconium Oxide Nanofiller and Dibutyl Phthalate Plasticizer on Ionic Conductivity and Optical Properties of Solid Polymer Electrolyte

PubMed Central

Yasin, Siti Mariah Mohd; Ibrahim, Suriani

2014-01-01

New solid polymer electrolytes (SPE) based on poly(ethylene oxide) (PEO) doped with lithium trifluoromethanesulfonate (LiCF3SO3), dibutyl phthalate (DBP) plasticizer, and zirconium oxide (ZrO2) nanoparticles were prepared by solution-casting technique. The conductivity was enhanced by addition of dibutyl phthalate (DBP) plasticizer and ZrO2 nanofiller with maximum conductivity (1.38 × 10−4 Scm−1). The absorption edge and band gap values showed decreases upon addition of LiSO3CF3, DBP, and ZrO2 due to the formation of localized states in the SPE and the degree of disorder in the films increased. PMID:25133244

Optical properties of PbS/PVP nanocomposites films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patel, Mitesh H., E-mail: miteshpatel7204@gmail.com; Chaudhuri, Tapas K.; Patel, Vaibhav K.

2016-05-06

PbS/Polyvinylpyrrolidone (PVP) nanocomposites films with different volume fraction of PbS have been deposited from single molecular precursors. X-ray diffraction patterns conforms the formation of PbS nanocrystals in PVP matrix. The transmission spectra of the films in the wavelength range of 300 to 2400 nm show the absorption edges are blue shifted due to formation of PbS Nanoparticles. The band gap determined are 2.4, 1.5 and 1.25 eV for PbS volume fraction of 8.5, 16, 27%, respectively. The corresponding refractive indices, n determined from Fresnel relation are 1.8, 2, and 2.35 which are in between that of PbS (4.2) and PVP (1.48).

Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium

DOE PAGES

Zurch, Michael; Chang, Hung -Tzu; Borja, Lauren J.; ...

2017-06-01

Understanding excited carrier dynamics in semiconductors is crucial for the development of photovoltaics and efficient photonic devices. However, overlapping spectral features in optical pump-probe spectroscopy often render assignments of separate electron and hole carrier dynamics ambiguous. Here, ultrafast electron and hole dynamics in germanium nanocrystalline thin films are directly and simultaneously observed by ultrafast transient absorption spectroscopy in the extreme ultraviolet at the germanium M 4,5 edge. We decompose the spectra into contributions of electronic state blocking and photo-induced band shifts at a carrier density of 8 × 10 20 cm –3. Separate electron and hole relaxation times are observedmore » as a function of hot carrier energies. A first-order electron and hole decay of ~1 ps suggests a Shockley–Read–Hall recombination mechanism. Furthermore, the simultaneous observation of electrons and holes with extreme ultraviolet transient absorption spectroscopy paves the way for investigating few- to sub-femtosecond dynamics of both holes and electrons in complex semiconductor materials and across junctions.« less

Fabrication and analysis of Cr-doped ZnO nanoparticles from the gas phase.

PubMed

Schneider, L; Zaitsev, S V; Jin, W; Kompch, A; Winterer, M; Acet, M; Bacher, G

2009-04-01

High quality Cr-doped ZnO nanoparticles from the gas phase were prepared and investigated with respect to their structural, optical and magnetic properties. The extended x-ray absorption fine structure and the x-ray absorption near edge structure of the particles verify that after nanoparticle preparation Cr is incorporated as Cr3+ ) at least partially on sites with a 4-fold oxygen configuration, most likely on a Zn site, into the wurtzite lattice. Despite the fact that Cr is known to act as an efficient non-radiative loss centre for near band gap emission (NBE), a pronounced NBE is obtained up to room temperature even for a nominal Cr concentration of 10 at.%. Annealing at 1000 degrees C results in a significant improvement of the photoluminescence efficiency and a reduced PL linewidth down to 2.9 meV at low temperatures while the structural and magnetic data indicate the formation of ZnCr2O4 clusters.

Room-Temperature Coherent Optical Phonon in 2D Electronic Spectra of CH 3NH 3PbI 3 Perovskite as a Possible Cooling Bottleneck

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monahan, Daniele M.; Guo, Liang; Lin, Jia

2017-06-29

A hot phonon bottleneck may be responsible for slow hot carrier cooling in methylammonium lead iodide hybrid perovskite, creating the potential for more efficient hot carrier photovoltaics. In room-temperature 2D electronic spectra near the band edge, we observe in this paper amplitude oscillations due to a remarkably long lived 0.9 THz coherent phonon population at room temperature. This phonon (or set of phonons) is assigned to angular distortions of the Pb–I lattice, not coupled to cation rotations. The strong coupling between the electronic transition and the 0.9 THz mode(s), together with relative isolation from other phonon modes, makes it likelymore » to cause a phonon bottleneck. Finally, the pump frequency resolution of the 2D spectra also enables independent observation of photoinduced absorptions and bleaches independently and confirms that features due to band gap renormalization are longer-lived than in transient absorption spectra.« less

Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zurch, Michael; Chang, Hung -Tzu; Borja, Lauren J.

Understanding excited carrier dynamics in semiconductors is crucial for the development of photovoltaics and efficient photonic devices. However, overlapping spectral features in optical pump-probe spectroscopy often render assignments of separate electron and hole carrier dynamics ambiguous. Here, ultrafast electron and hole dynamics in germanium nanocrystalline thin films are directly and simultaneously observed by ultrafast transient absorption spectroscopy in the extreme ultraviolet at the germanium M 4,5 edge. We decompose the spectra into contributions of electronic state blocking and photo-induced band shifts at a carrier density of 8 × 10 20 cm –3. Separate electron and hole relaxation times are observedmore » as a function of hot carrier energies. A first-order electron and hole decay of ~1 ps suggests a Shockley–Read–Hall recombination mechanism. Furthermore, the simultaneous observation of electrons and holes with extreme ultraviolet transient absorption spectroscopy paves the way for investigating few- to sub-femtosecond dynamics of both holes and electrons in complex semiconductor materials and across junctions.« less

A cryogenic infrared calibration target.

PubMed

Wollack, E J; Kinzer, R E; Rinehart, S A

2014-04-01

A compact cryogenic calibration target is presented that has a peak diffuse reflectance, R ⩽ 0.003, from 800 to 4800 cm(-1) (12 - 2 μm). Upon expanding the spectral range under consideration to 400-10,000 cm(-1) (25 - 1 μm) the observed performance gracefully degrades to R ⩽ 0.02 at the band edges. In the implementation described, a high-thermal-conductivity metallic substrate is textured with a pyramidal tiling and subsequently coated with a thin lossy dielectric coating that enables high absorption and thermal uniformity across the target. The resulting target assembly is lightweight, has a low-geometric profile, and has survived repeated thermal cycling from room temperature to ∼4 K. Basic design considerations, governing equations, and test data for realizing the structure described are provided. The optical properties of selected absorptive materials-Acktar Fractal Black, Aeroglaze Z306, and Stycast 2850 FT epoxy loaded with stainless steel powder-are characterized and presented.

Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium.

PubMed

Zürch, Michael; Chang, Hung-Tzu; Borja, Lauren J; Kraus, Peter M; Cushing, Scott K; Gandman, Andrey; Kaplan, Christopher J; Oh, Myoung Hwan; Prell, James S; Prendergast, David; Pemmaraju, Chaitanya D; Neumark, Daniel M; Leone, Stephen R

2017-06-01

Understanding excited carrier dynamics in semiconductors is crucial for the development of photovoltaics and efficient photonic devices. However, overlapping spectral features in optical pump-probe spectroscopy often render assignments of separate electron and hole carrier dynamics ambiguous. Here, ultrafast electron and hole dynamics in germanium nanocrystalline thin films are directly and simultaneously observed by ultrafast transient absorption spectroscopy in the extreme ultraviolet at the germanium M 4,5 edge. We decompose the spectra into contributions of electronic state blocking and photo-induced band shifts at a carrier density of 8 × 10 20  cm -3 . Separate electron and hole relaxation times are observed as a function of hot carrier energies. A first-order electron and hole decay of ∼1 ps suggests a Shockley-Read-Hall recombination mechanism. The simultaneous observation of electrons and holes with extreme ultraviolet transient absorption spectroscopy paves the way for investigating few- to sub-femtosecond dynamics of both holes and electrons in complex semiconductor materials and across junctions.

Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium

PubMed Central

Zürch, Michael; Chang, Hung-Tzu; Borja, Lauren J.; Kraus, Peter M.; Cushing, Scott K.; Gandman, Andrey; Kaplan, Christopher J.; Oh, Myoung Hwan; Prell, James S.; Prendergast, David; Pemmaraju, Chaitanya D.; Neumark, Daniel M.; Leone, Stephen R.

2017-01-01

Understanding excited carrier dynamics in semiconductors is crucial for the development of photovoltaics and efficient photonic devices. However, overlapping spectral features in optical pump-probe spectroscopy often render assignments of separate electron and hole carrier dynamics ambiguous. Here, ultrafast electron and hole dynamics in germanium nanocrystalline thin films are directly and simultaneously observed by ultrafast transient absorption spectroscopy in the extreme ultraviolet at the germanium M4,5 edge. We decompose the spectra into contributions of electronic state blocking and photo-induced band shifts at a carrier density of 8 × 1020 cm−3. Separate electron and hole relaxation times are observed as a function of hot carrier energies. A first-order electron and hole decay of ∼1 ps suggests a Shockley–Read–Hall recombination mechanism. The simultaneous observation of electrons and holes with extreme ultraviolet transient absorption spectroscopy paves the way for investigating few- to sub-femtosecond dynamics of both holes and electrons in complex semiconductor materials and across junctions. PMID:28569752

Photoluminescence properties of LiF bismuth silicate glass

NASA Astrophysics Data System (ADS)

Krishnan, M. Laya; Kumar, V. V. Ravi Kanth

2018-04-01

The sample (60-X) Bi2O3-30SiO2-XLiF where X=10, 15, 25 were prepared by conventional melt quenching method. X-ray diffraction pattern conformed the amorphous nature of the prepared sample and a broad peak at 2θ=30°. The Raman spectra confirmed that the Bi can exist both network former (BiO3 pyramidal) and network modifier (BiO6 octahedral)in the glass matrix. The samples showing broad absorption at 470nm is due to the presence of Bi2+ ions, because of increasing optical basicity the absorption edge of the sample is blue shifted. The photoluminescence spectra of the glass under 350nm excitation are showing two main peaks at 430nm and 630 nm due to Bi3+ and Bi2+ respectively and 25 LBS glass showing yellow, 15LBS showing near bluish white and 10LBS showing blue luminescence. The color purity and correlated color temperature are also calculated.

Electrically-Tunable Group Delays Using Quantum Wells in a Distributed Bragg Reflector

NASA Technical Reports Server (NTRS)

Nelson, Thomas R., Jr.; Loehr, John P.; Fork, Richard L.; Cole, Spencer; Jones, Darryl K.; Keys, Andrew

1999-01-01

There is a growing interest in the fabrication of semiconductor optical group delay lines for the development of phased arrays of Vertical-Cavity Surface-Emitting Lasers (VCSELs). We present a novel structure incorporating In(x)GA(1-x)As quantum wells in the GaAs quarter-wave layers of a GaAs/AlAs distributed Bragg reflector (DBR). Application of an electric field across the quantum wells leads to red shifting and peak broadening of the el-hhl exciton peak via the quantum-confined Stark effect. Resultant changes in the index of refraction thereby provide a means for altering the group delay of an incident laser pulse. We discuss the tradeoffs between the maximum amount of change in group delay versus absorption losses for such a device. We also compare a simple theoretical model to experimental results, and discuss both angle and position tuning of the BDR band edge resonance relative to the exciton absorption peak. The advantages of such monolithically grown devices for phased-array VCSEL applications will be detailed.

Interlayer orientation-dependent light absorption and emission in monolayer semiconductor stacks

PubMed Central

Heo, Hoseok; Sung, Ji Ho; Cha, Soonyoung; Jang, Bo-Gyu; Kim, Joo-Youn; Jin, Gangtae; Lee, Donghun; Ahn, Ji-Hoon; Lee, Myoung-Jae; Shim, Ji Hoon; Choi, Hyunyong; Jo, Moon-Ho

2015-01-01

Two-dimensional stacks of dissimilar hexagonal monolayers exhibit unusual electronic, photonic and photovoltaic responses that arise from substantial interlayer excitations. Interband excitation phenomena in individual hexagonal monolayer occur in states at band edges (valleys) in the hexagonal momentum space; therefore, low-energy interlayer excitation in the hexagonal monolayer stacks can be directed by the two-dimensional rotational degree of each monolayer crystal. However, this rotation-dependent excitation is largely unknown, due to lack in control over the relative monolayer rotations, thereby leading to momentum-mismatched interlayer excitations. Here, we report that light absorption and emission in MoS2/WS2 monolayer stacks can be tunable from indirect- to direct-gap transitions in both spectral and dynamic characteristics, when the constituent monolayer crystals are coherently stacked without in-plane rotation misfit. Our study suggests that the interlayer rotational attributes determine tunable interlayer excitation as a new set of basis for investigating optical phenomena in a two-dimensional hexagonal monolayer system. PMID:26099952

Reflection by absorbing periodically stratified media

NASA Astrophysics Data System (ADS)

Lekner, John

2014-03-01

Existing theory gives the optical properties of a periodically stratified medium in terms of a two by two matrix. This theory is valid also for absorbing media, because the matrix remains unimodular. The main effect of absorption is that the reflection (of either polarization) becomes independent of the number of periods N, and of the substrate properties, provided N exceeds a certain value which depends on the absorption. The s and p reflections are then given by simple formulae. The stop-band structure, which gives total reflection in bands of frequency and angle of incidence in the non-absorbing case, remains influential in weakly absorbing media, causing strong variations in reflectivity. The theory is applied to the frequency dependence of the normal-incidence reflectivity of a quarter-wave stack in which the high-index and low-index layers both absorb weakly. Analytical expressions are obtained for the frequency at which the reflectivity is maximum, the maximum reflectivity, and also for the reflectivity at the band edges of the stop band of the non-absorbing stack.

Nitrogen K-edge x-ray absorption near edge structure of pyrimidine-containing nucleotides in aqueous solution

NASA Astrophysics Data System (ADS)

Shimada, Hiroyuki; Minami, Hirotake; Okuizumi, Naoto; Sakuma, Ichiro; Ukai, Masatoshi; Fujii, Kentaro; Yokoya, Akinari; Fukuda, Yoshihiro; Saitoh, Yuji

2015-05-01

X-ray absorption near edge structure (XANES) was measured at energies around the N K-edge of the pyrimidine-containing nucleotides, cytidine 5'-monophosphate (CMP), 2'-deoxythymidine 5'-monophosphate (dTMP), and uridine 5'-monophosphate (UMP), in aqueous solutions and in dried films under various pH conditions. The features of resonant excitations below the N K-edge in the XANES spectra for CMP, dTMP, and UMP changed depending on the pH of the solutions. The spectral change thus observed is systematically explained by the chemical shift of the core-levels of N atoms in the nucleobase moieties caused by structural changes due to protonation or deprotonation at different proton concentrations. This interpretation is supported by the results of theoretical calculations using density functional theory for the corresponding nucleobases in the neutral and protonated or deprotonated forms.

Nitrogen K-edge x-ray absorption near edge structure of pyrimidine-containing nucleotides in aqueous solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shimada, Hiroyuki, E-mail: hshimada@cc.tuat.ac.jp; Minami, Hirotake; Okuizumi, Naoto

2015-05-07

X-ray absorption near edge structure (XANES) was measured at energies around the N K-edge of the pyrimidine-containing nucleotides, cytidine 5′-monophosphate (CMP), 2′-deoxythymidine 5′-monophosphate (dTMP), and uridine 5′-monophosphate (UMP), in aqueous solutions and in dried films under various pH conditions. The features of resonant excitations below the N K-edge in the XANES spectra for CMP, dTMP, and UMP changed depending on the pH of the solutions. The spectral change thus observed is systematically explained by the chemical shift of the core-levels of N atoms in the nucleobase moieties caused by structural changes due to protonation or deprotonation at different proton concentrations.more » This interpretation is supported by the results of theoretical calculations using density functional theory for the corresponding nucleobases in the neutral and protonated or deprotonated forms.« less

Interaction of Nanostructured Calcium Silicate Hydrate with Ibuprofen Drug Molecules: X-ray Absorption Near Edge Structure (XANES) Study at the Ca, Si and O K-edge

NASA Astrophysics Data System (ADS)

Guo, X. X.; Sham, T. K.; Zhu, Y. J.; Hu, Y. F.

2013-04-01

Mesoporous calcium silicate hydrate (CSH) nanostructure has been proven to be bioactive and biocompatible, and has a bright future in the application of bone treatment among other applications. X-ray absorption near edge structure (XANES) is a powerful tool for the study of the interactions of calcium silicate hydrates with drug molecules because it is element specific and it probes the unoccupied electronic states. Herein, we report the use of the calcium, silicon and oxygen K-edge XANES spectroscopy to identify how drug molecules interact with different groups in calcium silicate hydrate mesoporous nano-carriers with different morphologies. Significant changes are observed in XANES spectra after drug loading into the calcium silicate hydrate system, especially at the Si and O K-edge. The implications of these findings are discussed.

Electronic Structure of Ytterbium-Doped Strontium Fluoroapatite: Photoemission and Photoabsorption Investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, Art J.; Van Buuren, Tony W.; Bostedt, C

X-ray photoemission and x-ray photoabsorption were used to study the composition and the electronic structure of ytterbium-doped strontium fluoroapatite (Yb:S-FAP). High resolution photoemission measurements on the valence band electronic structure and Sr 3d, P 2p and 2s, Yb 4d and 4p, F 1s and O 1s core lines were used to evaluate the surface and near surface chemistry of this fluoroapatite. Element specific density of unoccupied electronic states in Yb:S-FAP were probed by x-ray absorption spectroscopy (XAS) at the Yb 4d (N4,5-edge), Sr 3d (M4,5-edge), P 2p (L2,3-edge), F 1s and O 1s (K-edges) absorption edges. These results provide themore » first measurements of the electronic structure and surface chemistry of this material.« less

Enhanced photocatalytic performance of KNbO3(100)/reduced graphene oxide nanocomposites investigated using first-principles calculations: RGO reductivity effect

NASA Astrophysics Data System (ADS)

Zhang, Pan; Shen, Yanqing; Wu, Wenjing; Li, Jun; Zhou, Zhongxiang

2018-03-01

Although a number of various reduced graphene oxide (RGO)-based nanomaterials with enhanced photocatalytic performance have recently been characterized, the effect of RGO reductivity on their performance is still not clear. Herein, KNbO3(100) surface modification with three RGO sheets of different reductivity is investigated using first-principles calculations, revealing that increasing RGO reductivity enhances the photocatalytic performance of KNbO3(100)/RGO nanocomposites. In contrast to CeO2/RGO nanocomposites, the O atoms of RGO inhibit the photoactivity of KNbO3/RGO nanocomposites by restraining the effect of inducing a red shift of the corresponding photocatalytic absorption spectra by C 2p states. Increased RGO reductivity extends its absorption edge to the visible light region of the optical absorption and also promotes charge transfer from the KNbO3(100) surface to RGO sheets, in contrast to the behavior observed for g-C3N4/RGO composites. Overall, this work provides a reasonable explanation of controversial experimental results obtained previously, paving the way to the development of highly efficient RGO-based photocatalysts and promoting further photocatalytic applications of KNbO3/RGO nanocomposites.

Optical and Electrical Characteristics of Silver Ion Conducting Nanocomposite Solid Polymer Electrolytes Based on Chitosan

NASA Astrophysics Data System (ADS)

Aziz, Shujahadeen B.; Rasheed, Mariwan A.; Abidin, Zul H. Z.

2017-10-01

Optical and electrical properties of nanocomposite solid polymer electrolytes based on chitosan have been investigated. Incorporation of alumina nanoparticles into the chitosan:silver triflate (AgTf) system broadened the surface plasmon resonance peaks of the silver nanoparticles and shifted the absorption edge to lower photon energy. A clear decrease of the optical bandgap in nanocomposite samples containing alumina nanoparticles was observed. The variation of the direct-current (DC) conductivity and dielectric constant followed the same trend with alumina concentration. The DC conductivity increased by two orders of magnitude, which can be attributed to hindrance of silver ion reduction. Transmission electron microscopy was used to interpret the space-charge and blocking effects of alumina nanoparticles on the DC conductivity and dielectric constant. The ion conduction mechanism was interpreted based on the dependences of the electrical and dielectric parameters. The dependence of the DC conductivity on the dielectric constant is explained empirically. Relaxation processes associated with conductivity and viscoelasticity were distinguished based on the incomplete semicircular arcs in plots of the real and imaginary parts of the electric modulus.

Computational study of electronic, optical and thermoelectric properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites

NASA Astrophysics Data System (ADS)

Hassan, M.; Arshad, I.; Mahmood, Q.

2017-11-01

We report the structural, electronic, optical and thermoelectric (TE) properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites as a function of X cations belonging to the group IIA. The computations are done by using the most recently introduced modified Becke-Johnson potential. It has been observed that the cubic lattice constant increases as the cations change from Ca to Ba, consequently, the bulk modulus reduces. The bottom of conduction band shows strong hybridization between Pb-6p, O-2p and X-s states, in contrast, valence band maxima are mainly manufactured by Pb-6p states. The anti-perovskites exhibit narrow direct band gap that show an inverse relation to the static real dielectric constants that verifies Penn’s model. In addition, the X cations induced tuning of the absorption edge in the visible and the ultraviolet energy suggest optical device applications. The computed TE parameters have been found sensitive to the X cations and have been demonstrated to be best suited for the TE devices operating at high temperatures.