Period-dependent source rupture behavior of the 2011 Tohoku earthquake estimated by multi period-band Bayesian waveform inversion

Science.gov (United States)

Kubo, H.; Asano, K.; Iwata, T.; Aoi, S.

2014-12-01

Previous studies for the period-dependent source characteristics of the 2011 Tohoku earthquake (e.g., Koper et al., 2011; Lay et al., 2012) were based on the short and long period source models using different method. Kubo et al. (2013) obtained source models of the 2011 Tohoku earthquake using multi period-bands waveform data by a common inversion method and discussed its period-dependent source characteristics. In this study, to achieve more in detail spatiotemporal source rupture behavior of this event, we introduce a new fault surface model having finer sub-fault size and estimate the source models in multi period-bands using a Bayesian inversion method combined with a multi-time-window method. Three components of velocity waveforms at 25 stations of K-NET, KiK-net, and F-net of NIED are used in this analysis. The target period band is 10-100 s. We divide this period band into three period bands (10-25 s, 25-50 s, and 50-100 s) and estimate a kinematic source model in each period band using a Bayesian inversion method with MCMC sampling (e.g., Fukuda & Johnson, 2008; Minson et al., 2013, 2014). The parameterization of spatiotemporal slip distribution follows the multi-time-window method (Hartzell & Heaton, 1983). The Green's functions are calculated by the 3D FDM (GMS; Aoi & Fujiwara, 1999) using a 3D velocity structure model (JIVSM; Koketsu et al., 2012). The assumed fault surface model is based on the Pacific plate boundary of JIVSM and is divided into 384 subfaults of about 16 * 16 km^2. The estimated source models in multi period-bands show the following source image: (1) First deep rupture off Miyagi at 0-60 s toward down-dip mostly radiating relatively short period (10-25 s) seismic waves. (2) Shallow rupture off Miyagi at 45-90 s toward up-dip with long duration radiating long period (50-100 s) seismic wave. (3) Second deep rupture off Miyagi at 60-105 s toward down-dip radiating longer period seismic waves then that of the first deep rupture. (4) Deep

Photonic band gap structure simulator

Science.gov (United States)

Chen, Chiping; Shapiro, Michael A.; Smirnova, Evgenya I.; Temkin, Richard J.; Sirigiri, Jagadishwar R.

2006-10-03

A system and method for designing photonic band gap structures. The system and method provide a user with the capability to produce a model of a two-dimensional array of conductors corresponding to a unit cell. The model involves a linear equation. Boundary conditions representative of conditions at the boundary of the unit cell are applied to a solution of the Helmholtz equation defined for the unit cell. The linear equation can be approximated by a Hermitian matrix. An eigenvalue of the Helmholtz equation is calculated. One computation approach involves calculating finite differences. The model can include a symmetry element, such as a center of inversion, a rotation axis, and a mirror plane. A graphical user interface is provided for the user's convenience. A display is provided to display to a user the calculated eigenvalue, corresponding to a photonic energy level in the Brilloin zone of the unit cell.

Signature inversion in doubly odd 124La

International Nuclear Information System (INIS)

Chantler, H.J.; Paul, E.S.; Boston, A.J.; Choy, P.T.W.; Nolan, P.J.; Carpenter, M.P.; Davids, C.N.; Seweryniak, D.; Charity, R.; Devlin, M.; Sarantites, D.G.; Chiara, C.J.; Fossan, D.B.; Koike, T.; LaFosse, D.R.; Starosta, K.; Fletcher, A.M.; Smith, J.F.; Jenkins, D.G.; Kelsall, N.S.

2002-01-01

High-spin states have been studied in neutron-deficient 57 124 La 67 , populated through the 64 Zn( 64 Zn,3pn) reaction at 260 MeV. The Gammasphere γ-ray spectrometer has been used in conjunction with the Microball charged-particle detector, the Neutron Shell, and the Argonne Fragment Mass Analyzer, in order to select evaporation residues of interest. The known band structures have been extended and new bands found. Most of the bands are linked together, allowing more consistent spin and parity assignments. Comparison of band properties to cranking calculations has allowed configuration assignments to be made and includes the first identification of the g 9/2 proton-hole in an odd-odd lanthanum isotope. Two bands have been assigned a πh 11/2 xνh 11/2 structure; the yrast one exhibits a signature inversion in its level energies below I=18.5(ℎ/2π), while the excited one exhibits a signature inversion above I=18.5(ℎ/2π)

Inverse opal photonic crystals with photonic band gaps in the visible and near-infrared

Science.gov (United States)

Jarvis, Brandon C.; Gilleland, Cody L.; Renfro, Tim; Gutierrez, Jose; Parikh, Kunjal; Glosser, R.; Landon, Preston B.

2005-08-01

Colloidal silica spheres with 200nm, 250nm, and 290nm diameters were self-assembled with single crystal crystallites 4-5mm wide and 10-15mm long. Larger spheres with diameters between 1000-2300nm were self-assembled with single crystal crystallites up to 1.5mm wide and 2mm long. The silica opals self-assembled vertically along the [100] direction of the face centered cubic lattice resulting in self-templated opals. Inverse opal photonic crystals with a partial band gap possessing a maximum in the near infrared at 3.8μm were constructed from opal templates composed of 2300nm diameter spheres with chalcogenide Ge33As12Se55 (AMTIR-1), a transparent glass in the near infrared with high refractive index. Inverse gold and gold/ polypropylene composite photonic crystals were fabricated from synthetic opal templates composed of 200-290nm silica spheres. The reflectance spectra and electrical conductance of the resulting structures is presented. Gold was infiltrated into opal templates as gold chloride and heat converted to metallic gold. Opals partially infiltrated with gold were co-infiltrated with polypropylene plastic for mechanical support prior to removal of the silica template with hydrofluoric acid.

The quasiparticle band structure of zincblende and rocksalt ZnO.

Science.gov (United States)

Dixit, H; Saniz, R; Lamoen, D; Partoens, B

2010-03-31

We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the p-d hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong p-d hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn(20+) pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ∼ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong p-d hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV.

Inverse folding of RNA pseudoknot structures

Directory of Open Access Journals (Sweden)

Li Linda YM

2010-06-01

Full Text Available Abstract Background RNA exhibits a variety of structural configurations. Here we consider a structure to be tantamount to the noncrossing Watson-Crick and G-U-base pairings (secondary structure and additional cross-serial base pairs. These interactions are called pseudoknots and are observed across the whole spectrum of RNA functionalities. In the context of studying natural RNA structures, searching for new ribozymes and designing artificial RNA, it is of interest to find RNA sequences folding into a specific structure and to analyze their induced neutral networks. Since the established inverse folding algorithms, RNAinverse, RNA-SSD as well as INFO-RNA are limited to RNA secondary structures, we present in this paper the inverse folding algorithm Inv which can deal with 3-noncrossing, canonical pseudoknot structures. Results In this paper we present the inverse folding algorithm Inv. We give a detailed analysis of Inv, including pseudocodes. We show that Inv allows to design in particular 3-noncrossing nonplanar RNA pseudoknot 3-noncrossing RNA structures-a class which is difficult to construct via dynamic programming routines. Inv is freely available at http://www.combinatorics.cn/cbpc/inv.html. Conclusions The algorithm Inv extends inverse folding capabilities to RNA pseudoknot structures. In comparison with RNAinverse it uses new ideas, for instance by considering sets of competing structures. As a result, Inv is not only able to find novel sequences even for RNA secondary structures, it does so in the context of competing structures that potentially exhibit cross-serial interactions.

Tectonic forward modelling of positive inversion structures

Energy Technology Data Exchange (ETDEWEB)

Brandes, C. [Leibniz Univ. Hannover (Germany). Inst. fuer Geologie; Schmidt, C. [Landesamt fuer Bergbau, Energie und Geologie (LBEG), Hannover (Germany)

2013-08-01

Positive tectonic inversion structures are common features that were recognized in many deformed sedimentary basins (Lowell, 1995). They are characterized by a two phase fault evolution, where initial normal faulting was followed by reverse faulting along the same fault, accompanied by the development of hanging wall deformation. Analysing the evolution of such inversion structures is important for understanding the tectonics of sedimentary basins and the formation of hydrocarbon traps. We used a 2D tectonic forward modelling approach to simulate the stepwise structural evolution of inversion structures in cross-section. The modelling was performed with the software FaultFold Forward v. 6, which is based on trishear kinematics (Zehnder and Allmendinger, 2000). Key aspect of the study was to derive the controlling factors for the geometry of inversion structures. The simulation results show, that the trishear approach is able to reproduce the geometry of tectonic inversion structures in a realistic way. This implies that inversion structures are simply fault-related folds that initiated as extensional fault-propagation folds, which were subsequently transformed into compressional fault-propagation folds when the stress field changed. The hanging wall deformation is a consequence of the decrease in slip towards the tip line of the fault. Trishear angle and propagation-to-slip ratio are the key controlling factors for the geometry of the fault-related deformation. We tested trishear angles in the range of 30 - 60 and propagation-to-slip ratios between 1 and 2 in increments of 0.1. Small trishear angles and low propagation-to-slip ratios produced tight folds, whereas large trishear angles and high propagation-to-slip ratios led to more open folds with concentric shapes. This has a direct effect on the size and geometry of potential hydrocarbon traps. The 2D simulations can be extended to a pseudo 3D approach, where a set of parallel cross-sections is used to describe

High-quality photonic crystals with a nearly complete band gap obtained by direct inversion of woodpile templates with titanium dioxide.

Science.gov (United States)

Marichy, Catherine; Muller, Nicolas; Froufe-Pérez, Luis S; Scheffold, Frank

2016-02-25

Photonic crystal materials are based on a periodic modulation of the dielectric constant on length scales comparable to the wavelength of light. These materials can exhibit photonic band gaps; frequency regions for which the propagation of electromagnetic radiation is forbidden due to the depletion of the density of states. In order to exhibit a full band gap, 3D PCs must present a threshold refractive index contrast that depends on the crystal structure. In the case of the so-called woodpile photonic crystals this threshold is comparably low, approximately 1.9 for the direct structure. Therefore direct or inverted woodpiles made of high refractive index materials like silicon, germanium or titanium dioxide are sought after. Here we show that, by combining multiphoton lithography and atomic layer deposition, we can achieve a direct inversion of polymer templates into TiO2 based photonic crystals. The obtained structures show remarkable optical properties in the near-infrared region with almost perfect specular reflectance, a transmission dip close to the detection limit and a Bragg length comparable to the lattice constant.

Zak phase and band inversion in dimerized one-dimensional locally resonant metamaterials

Science.gov (United States)

Zhu, Weiwei; Ding, Ya-qiong; Ren, Jie; Sun, Yong; Li, Yunhui; Jiang, Haitao; Chen, Hong

2018-05-01

The Zak phase, which refers to Berry's phase picked up by a particle moving across the Brillouin zone, characterizes the topological properties of Bloch bands in a one-dimensional periodic system. Here the Zak phase in dimerized one-dimensional locally resonant metamaterials is investigated. It is found that there are some singular points in the bulk band across which the Bloch states contribute π to the Zak phase, whereas in the rest of the band the contribution is nearly zero. These singular points associated with zero reflection are caused by two different mechanisms: the dimerization-independent antiresonance of each branch and the dimerization-dependent destructive interference in multiple backscattering. The structure undergoes a topological phase-transition point in the band structure where the band inverts, and the Zak phase, which is determined by the numbers of singular points in the bulk band, changes following a shift in dimerization parameter. Finally, the interface state between two dimerized metamaterial structures with different topological properties in the first band gap is demonstrated experimentally. The quasi-one-dimensional configuration of the system allows one to explore topology-inspired new methods and applications on the subwavelength scale.

Investigation of luminescence properties in SiO2: Tb, Yb upconversion inverse opal

International Nuclear Information System (INIS)

Yang Zhengwen; Yan Dong; Song Zhiguo; Zhou Dacheng; Yu Xue; Yang Yong; Yin Zhaoyi; Yan Lei; Wang Rongfei; Wu Hangjun; Qiu Jianbei

2012-01-01

The SiO 2 : Tb, Yb inverse opals with photonic band gap at 465 or 543 nm were prepared, and an effect of photonic band gap on upconversion spontaneous emission from Tb 3+ was investigated. The results show that the photonic band gap has a significant influence on the upconversion emission of the SiO 2 : Tb, Yb inverse opals. The upconversion luminescence of the Tb 3+ ions is suppressed in the inverse opal compared with the luminescence of that of the reference sample. - Highlights: ► Upconversion emission from Tb 3+ was observed in the SiO 2 : Tb, Yb inverse opal. ► UC emission of Tb 3+ was modulated by controlling the structure of inverse opal. ► UC emission of Tb 3+ was depressed in the inverse opal.

Polymer sol-gel composite inverse opal structures.

Science.gov (United States)

Zhang, Xiaoran; Blanchard, G J

2015-03-25

We report on the formation of composite inverse opal structures where the matrix used to form the inverse opal contains both silica, formed using sol-gel chemistry, and poly(ethylene glycol), PEG. We find that the morphology of the inverse opal structure depends on both the amount of PEG incorporated into the matrix and its molecular weight. The extent of organization in the inverse opal structure, which is characterized by scanning electron microscopy and optical reflectance data, is mediated by the chemical bonding interactions between the silica and PEG constituents in the hybrid matrix. Both polymer chain terminus Si-O-C bonding and hydrogen bonding between the polymer backbone oxygens and silanol functionalities can contribute, with the polymer mediating the extent to which Si-O-Si bonds can form within the silica regions of the matrix due to hydrogen-bonding interactions.

Working memory performance inversely predicts spontaneous delta and theta-band scaling relations.

Science.gov (United States)

Euler, Matthew J; Wiltshire, Travis J; Niermeyer, Madison A; Butner, Jonathan E

2016-04-15

Electrophysiological studies have strongly implicated theta-band activity in human working memory processes. Concurrently, work on spontaneous, non-task-related oscillations has revealed the presence of long-range temporal correlations (LRTCs) within sub-bands of the ongoing EEG, and has begun to demonstrate their functional significance. However, few studies have yet assessed the relation of LRTCs (also called scaling relations) to individual differences in cognitive abilities. The present study addressed the intersection of these two literatures by investigating the relation of narrow-band EEG scaling relations to individual differences in working memory ability, with a particular focus on the theta band. Fifty-four healthy adults completed standardized assessments of working memory and separate recordings of their spontaneous, non-task-related EEG. Scaling relations were quantified in each of the five classical EEG frequency bands via the estimation of the Hurst exponent obtained from detrended fluctuation analysis. A multilevel modeling framework was used to characterize the relation of working memory performance to scaling relations as a function of general scalp location in Cartesian space. Overall, results indicated an inverse relationship between both delta and theta scaling relations and working memory ability, which was most prominent at posterior sensors, and was independent of either spatial or individual variability in band-specific power. These findings add to the growing literature demonstrating the relevance of neural LRTCs for understanding brain functioning, and support a construct- and state-dependent view of their functional implications. Copyright © 2016 Elsevier B.V. All rights reserved.

The Inverse of Banded Matrices

Science.gov (United States)

2013-01-01

indexed entries all zeros. In this paper, generalizing a method of Mallik (1999) [5], we give the LU factorization and the inverse of the matrix Br,n (if it...r ≤ i ≤ r, 1 ≤ j ≤ r, with the remaining un-indexed entries all zeros. In this paper generalizing a method of Mallik (1999) [5...matrices and applications to piecewise cubic approximation, J. Comput. Appl. Math. 8 (4) (1982) 285–288. [5] R.K. Mallik , The inverse of a lower

Wire measurement of impedance of an X-band accelerating structure

CERN Document Server

Baboi, N; Dolgashev, V A; Jones, R M; Lewandowski, J R; Tantawi, S G; Wang, J W

2004-01-01

Several tens of thousands of accelerator structures will be needed for the next generation of linear collders known as the GLC/NLC (Global Linear Collider/Next Linear Collider). To prevent the beam being driven into a disruptive BBU (Beam Break Up) mode or at the very least, the emittance being signifcantly diluted, it is important to damp down the wakefield left by driving bunches to a manageable level. Manufacturing errors and errors in design need to be measurable and compared with predictions. We develop a circuit model of wire-loaded X-band accelerator structures. This enables the wakefield (the inverse transform of the beam impedance) to be readily computed and compared with the wire measurement. We apply this circuit model to the latest series of accelerating for the GLC/NLC. This circuit model is based upon the single-cell model developed in [1] extended here to complete, multi-cell structures.

Signature inversion in πh{sub 11/2} x νi{sub 13/2} band of {sup 152}Eu and {sup 154,156}Tb

Energy Technology Data Exchange (ETDEWEB)

Kumar, Sushil [Akal University, Department of Physics, Talwandi Sabo (India); Maharishi Markandeshwar University, Department of Physics, Mullana (India); Singh, Sukhjeet [Akal University, Department of Physics, Talwandi Sabo (India); Sharma, Vandana; Sharma, J.K. [Maharishi Markandeshwar University, Department of Physics, Mullana (India)

2017-04-15

The phenomenon of signature inversion observed in the πh{sub 11/2} x νi{sub 13/2} band of {sup 152}Eu and {sup 156}Tb nuclides is revisited through the axially symmetric two quasiparticle plus rotor model approach. The magnitude of experimentally observed signature splitting and point of signature inversion, which could not be explicitly reproduced in the earlier calculations, is successfully reproduced in the present study. Some of the critical issues, such as violation of the well-established Gallagher Moszkowski (GM) rule for eight GM doublets appearing in the basis space of earlier calculations of {sup 152}Eu and {sup 156}Tb, are fixed and also the ambiguity regarding spin assignment to this band observed in {sup 156}Tb is resolved. These calculations are further extended to the same band (πh{sub 11/2} x νi{sub 13/2}) observed in {sup 154}Tb nuclide and signature inversion observed in this band is successfully reproduced. (orig.)

Complex band structure and electronic transmission eigenchannels

DEFF Research Database (Denmark)

Jensen, Anders; Strange, Mikkel; Smidstrup, Soren

2017-01-01

and complex band structure, in this case individual eigenchannel transmissions and different complex bands. We present calculations of decay constants for the two most conductive states as determined by complex band structure and standard DFT Landauer transport calculations for one semi-conductor and two...

Three-dimensional ordered particulate structures: Method to retrieve characteristics from photonic band gap data

Science.gov (United States)

Miskevich, Alexander A.; Loiko, Valery A.

2015-01-01

A method to retrieve characteristics of ordered particulate structures, such as photonic crystals, is proposed. It is based on the solution of the inverse problem using data on the photonic band gap (PBG). The quasicrystalline approximation (QCA) of the theory of multiple scattering of waves and the transfer matrix method (TMM) are used. Retrieval of the refractive index of particles is demonstrated. Refractive indices of the artificial opal particles are estimated using the published experimental data.

The complex band structure for armchair graphene nanoribbons

International Nuclear Information System (INIS)

Zhang Liu-Jun; Xia Tong-Sheng

2010-01-01

Using a tight binding transfer matrix method, we calculate the complex band structure of armchair graphene nanoribbons. The real part of the complex band structure calculated by the transfer matrix method fits well with the bulk band structure calculated by a Hermitian matrix. The complex band structure gives extra information on carrier's decay behaviour. The imaginary loop connects the conduction and valence band, and can profoundly affect the characteristics of nanoscale electronic device made with graphene nanoribbons. In this work, the complex band structure calculation includes not only the first nearest neighbour interaction, but also the effects of edge bond relaxation and the third nearest neighbour interaction. The band gap is classified into three classes. Due to the edge bond relaxation and the third nearest neighbour interaction term, it opens a band gap for N = 3M − 1. The band gap is almost unchanged for N = 3M + 1, but decreased for N = 3M. The maximum imaginary wave vector length provides additional information about the electrical characteristics of graphene nanoribbons, and is also classified into three classes

Signature inversion of the semi-decoupled band in the odd-odd nucleus 170Ta

International Nuclear Information System (INIS)

Deng Fuguo; Yang Chunxiang; Zhou Hongyu; Sun Huibin; Lu Jingbin; Zhao Guangyi; Yin Lichang; Liu Yunzuo

2001-01-01

The high-spin states of the odd-odd nucleus 170 Ta have been studied by the 155 Gd( 19 F, 4n) 170 Ta reaction at the beam energy of 97 MeV. The α = 1 sequence of the semi-decoupled band has been pushed to higher-spin states and the signature inversion point was observed at 19.5 ℎ. the results are compared with those of the neighbouring odd-odd nuclei

Band structures in fractal grading porous phononic crystals

Science.gov (United States)

Wang, Kai; Liu, Ying; Liang, Tianshu; Wang, Bin

2018-05-01

In this paper, a new grading porous structure is introduced based on a Sierpinski triangle routine, and wave propagation in this fractal grading porous phononic crystal is investigated. The influences of fractal hierarchy and porosity on the band structures in fractal graidng porous phononic crystals are clarified. Vibration modes of unit cell at absolute band gap edges are given to manifest formation mechanism of absolute band gaps. The results show that absolute band gaps are easy to form in fractal structures comparatively to the normal ones with the same porosity. Structures with higher fractal hierarchies benefit multiple wider absolute band gaps. This work provides useful guidance in design of fractal porous phononic crystals.

High-energy band structure of gold

DEFF Research Database (Denmark)

Christensen, N. Egede

1976-01-01

The band structure of gold for energies far above the Fermi level has been calculated using the relativistic augmented-plane-wave method. The calculated f-band edge (Γ6-) lies 15.6 eV above the Fermi level is agreement with recent photoemission work. The band model is applied to interpret...

True photonic band-gap mode-control in VCSEL structures

DEFF Research Database (Denmark)

Romstad, F.; Madsen, M.; Birkedal, Dan

2003-01-01

Photonic band-gap mode confinement in novel nano-structured large area VCSEL structures is confirmed by the amplified spontaneous emission spectrum. Both guide and anti-guide VCSEL structures are experimentally characterised to verify the photonic band-gap effect.......Photonic band-gap mode confinement in novel nano-structured large area VCSEL structures is confirmed by the amplified spontaneous emission spectrum. Both guide and anti-guide VCSEL structures are experimentally characterised to verify the photonic band-gap effect....

Enzymatic Inverse Opal Hydrogel Particles for Biocatalyst.

Science.gov (United States)

Wang, Huan; Gu, Hongcheng; Chen, Zhuoyue; Shang, Luoran; Zhao, Ze; Gu, Zhongze; Zhao, Yuanjin

2017-04-19

Enzymatic carriers have a demonstrated value for chemical reactions and industrial applications. Here, we present a novel kind of inverse opal hydrogel particles as the enzymatic carriers. The particles were negatively replicated from spherical colloidal crystal templates by using magnetic nanoparticles tagged acrylamide hydrogel. Thus, they were endowed with the features of monodispersity, small volume, complete penetrating structure, and controllable motion, which are all beneficial for improving the efficiency of biocatalysis. In addition, due to the ordered porous nanostructure, the inverse opal hydrogel particles were imparted with unique photonic band gaps (PBGs) and vivid structural colors for encoding varieties of immobilized enzymes and for constructing a multienzymes biocatalysis system. These features of the inverse opal hydrogel particles indicate that they are ideal enzymatic carriers for biocatalysis.

Transport in bilayer and trilayer graphene: band gap engineering and band structure tuning

Science.gov (United States)

Zhu, Jun

2014-03-01

Controlling the stacking order of atomically thin 2D materials offers a powerful tool to control their properties. Linearly dispersed bands become hyperbolic in Bernal (AB) stacked bilayer graphene (BLG). Both Bernal (ABA) and rhombohedral (ABC) stacking occur in trilayer graphene (TLG), producing distinct band structures and electronic properties. A symmetry-breaking electric field perpendicular to the sample plane can further modify the band structures of BLG and TLG. In this talk, I will describe our experimental effort in these directions using dual-gated devices. Using thin HfO2 film deposited by ALD as gate dielectric, we are able to apply large displacement fields D > 6 V/nm and observe the opening and saturation of the field-induced band gap Eg in bilayer and ABC-stacked trilayer graphene, where the conduction in the mid gap changes by more than six decades. Its field and temperature dependence highlights the crucial role played by Coulomb disorder in facilitating hopping conduction and suppressing the effect of Eg in the tens of meV regime. In contrast, mid-gap conduction decreases with increasing D much more rapidly in clean h-BN dual-gated devices. Our studies also show the evolution of the band structure in ABA-stacked TLG, in particular the splitting of the Dirac-like bands in large D field and the signatures of two-band transport at high carrier densities. Comparison to theory reveals the need for more sophisticated treatment of electronic screening beyond self-consistent Hartree calculations to accurately predict the band structures of trilayer graphene and graphenic materials in general.

Superconductivity in Mesocrystalline Inverse Opal Structures

Science.gov (United States)

Lungu, Anca; Bleiweiss, Michael; Saygi, Salih; Amirzadeh, Jafar; Datta, Timir

2000-03-01

Mesocrystalline inverse opal structures were fabricated by the electrodeposition of metallic lead in synthetic opals. In these structures, the superconducting regions percolate in all directions through the voids in the artificial opals and their size is comparable to the coherence length for bulk lead. The inverse lead opals were proven superconducting, with a transition temperature close to that of bulk lead (between 7.2 K and 7.36 K) and broad transition regions. The magnetic behavior of the inverse opals was very different from that of bulk lead. Due to the reduced dimensonality of the superconducting regions, not surprisingly, the magnetic properties of our samples were found to be similar to those of type II superconductors. The critical magnetic field (or the field at which T_copals was proven at least two times larger than that for bulk lead and (dT_c/dH) was observed 2.7 times smaller. We found a reversible ZFC-FC magnetic behavior in the temperature range between T* and T_c. We also performed magnetic relaxation measurements and studied the fluctuation diamagnetism above T_c.

Structural level set inversion for microwave breast screening

International Nuclear Information System (INIS)

Irishina, Natalia; Álvarez, Diego; Dorn, Oliver; Moscoso, Miguel

2010-01-01

We present a new inversion strategy for the early detection of breast cancer from microwave data which is based on a new multiphase level set technique. This novel structural inversion method uses a modification of the color level set technique adapted to the specific situation of structural breast imaging taking into account the high complexity of the breast tissue. We only use data of a few microwave frequencies for detecting the tumors hidden in this complex structure. Three level set functions are employed for describing four different types of breast tissue, where each of these four regions is allowed to have a complicated topology and to have an interior structure which needs to be estimated from the data simultaneously with the region interfaces. The algorithm consists of several stages of increasing complexity. In each stage more details about the anatomical structure of the breast interior is incorporated into the inversion model. The synthetic breast models which are used for creating simulated data are based on real MRI images of the breast and are therefore quite realistic. Our results demonstrate the potential and feasibility of the proposed level set technique for detecting, locating and characterizing a small tumor in its early stage of development embedded in such a realistic breast model. Both the data acquisition simulation and the inversion are carried out in 2D

Band structure engineering for ultracold quantum gases in optical lattices

International Nuclear Information System (INIS)

Weinberg, Malte

2014-01-01

the same system maps onto a quantum spin-1/2 XY model. Owing to the quantum nature of the pseudospins, geometrical frustration leads to a highly degenerate ground state which can result in exotic valence bond spin-liquid phases. First signatures of an order-by-disorder effect emerge in this regime. A complementary approach to the manipulation of the band structure is investigated in a honeycomb potential. By rotating the quantization field of the system, the statedependent energy offset between the twofold atomic basis of the hexagonal Bravais lattice can be adjusted. This purposeful breaking of inversion symmetry enables the continuous opening of an energy gap at the Dirac points of the honeycomb band structure. In addition, a striking influence of the band gap onto the lifetimes for atoms in the first excited energy band is observed. In the last part of the thesis, both experimental manipulation techniques are discussed with respect to future applications for ultracold quantum gases in non-cubic optical lattices.

Amniotic band-like structures | Govender | Obstetrics and ...

African Journals Online (AJOL)

Intra-amniotic band-like structures are seen fairly commonly on routine obstetric scans, especially during the first and second trimesters of pregnancy. It is important to establish the cause for such findings in order to determine their clinical significance and to assess prognosis. The vast majority of band-like structures are ...

Wakefield Band Partitioning in LINAC Structures

International Nuclear Information System (INIS)

Jones, Roger M

2003-01-01

In the NLC project multiple bunches of electrons and positrons will be accelerated initially to a centre of mass of 500 GeV and later to 1 TeV or more. In the process of accelerating 192 bunches within a pulse train, wakefields are excited which kick the trailing bunches off axis and can cause luminosity dilution and BBU (Beam Break Up). Several structures to damp the wakefield have been designed and tested at SLAC and KEK and these have been found to successfully damp the wakefield [1]. However, these 2π/3 structures suffered from electrical breakdown and this has prompted us to explore lower group velocity structures operating at higher fundamental mode phase advances. The wakefield partitioning amongst the bands has been found to change markedly with increased phase advance. Here we report on general trends in the kick factor and associated wakefield band partitioning in dipole bands as a function of phase advance of the synchronous mode in linacs. These results are applicable to both TW (travelling wave) and SW (standing wave) structures

Band-Structure of Thallium by the LMTO Method

DEFF Research Database (Denmark)

Holtham, P. M.; Jan, J. P.; Skriver, Hans Lomholt

1977-01-01

by an energy gap. The 6d and 7s bands were found to be far above the Fermi level and the 5d states were found to be far below it. Fermi surface properties and the electronic specific heat are computed and compared with experiment. The joint density of states has also been computed and is in reasonable...... and p bands for the HCP structure. Energy bands have been evaluated both with and without spin-orbit coupling which is particularly large in thallium. Energy bands close to the Fermi level were found to be mainly 6p like in character. The 6s states lay below the 6p bands and were separated from them......The relativistic band structure of thallium has been calculated using the linear muffin-tin orbital (LMTO) method. The positions and extents of the bands were found to follow the Wigner-Seitz rule approximately, and the origin of the dispersion of the bands was established from the canonical s...

The Marvels of Electromagnetic Band Gap (EBG) Structures

Science.gov (United States)

2003-11-01

terminology of "Electromagnetic conference papers and journal articles dealing with Band- gaps (EBG)". Recently, many researchers the characterizations...Band Gap (EBG) Structures 9 utilized to reduce the mutual coupling between Structures: An FDTD/Prony Technique elements of antenna arrays. based on the...Band- Gap of several patents. He has had pioneering research contributions in diverse areas of electromagnetics,Snteructure", Dymposiget o l 21 IE 48

Band structures in near spherical 138Ce

Science.gov (United States)

Bhattacharjee, T.; Chanda, S.; Bhattacharyya, S.; Basu, S. K.; Bhowmik, R. K.; Das, J. J.; Pramanik, U. Datta; Ghugre, S. S.; Madhavan, N.; Mukherjee, A.; Mukherjee, G.; Muralithar, S.; Singh, R. P.

2009-06-01

The high spin states of N=80138Ce have been populated in the fusion evaporation reaction 130Te( 12C, 4n) 138Ce at E=65 MeV. The γ transitions belonging to various band structures were detected and characterized using an array of five Clover Germanium detectors. The level scheme has been established up to a maximum spin and excitation energy of 23 ℏ and 9511.3 keV, respectively, by including 53 new transitions. The negative parity ΔI=1 band, developed on the 6536.3 keV 15 level, has been conjectured to be a magnetic rotation band following a semiclassical analysis and comparing the systematics of similar bands in the neighboring nuclei. The said band is proposed to have a four quasiparticle configuration of [πgh]⊗[. Other band structures are interpreted in terms of multi-quasiparticle configurations, based on Total Routhian Surface (TRS) calculations. For the low and medium spin states, a shell model calculation using a realistic two body interaction has been performed using the code OXBASH.

Magnetic topology of Co-based inverse opal-like structures

Science.gov (United States)

Grigoryeva, N. A.; Mistonov, A. A.; Napolskii, K. S.; Sapoletova, N. A.; Eliseev, A. A.; Bouwman, W.; Byelov, D. V.; Petukhov, A. V.; Chernyshov, D. Yu.; Eckerlebe, H.; Vasilieva, A. V.; Grigoriev, S. V.

2011-08-01

The magnetic and structural properties of a cobalt inverse opal-like crystal have been studied by a combination of complementary techniques ranging from polarized neutron scattering and superconducting quantum interference device (SQUID) magnetometry to x-ray diffraction. Microradian small-angle x-ray diffraction shows that the inverse opal-like structure (OLS) synthesized by the electrochemical method fully duplicates the three-dimensional net of voids of the template artificial opal. The inverse OLS has a face-centered cubic (fcc) structure with a lattice constant of 640±10 nm and with a clear tendency to a random hexagonal close-packed structure along the [111] axes. Wide-angle x-ray powder diffraction shows that the atomic cobalt structure is described by coexistence of 95% hexagonal close-packed and 5% fcc phases. The SQUID measurements demonstrate that the inverse OLS film possesses easy-plane magnetization geometry with a coercive field of 14.0 ± 0.5 mT at room temperature. The detailed picture of the transformation of the magnetic structure under an in-plane applied field was detected with the help of small-angle diffraction of polarized neutrons. In the demagnetized state the magnetic system consists of randomly oriented magnetic domains. A complex magnetic structure appears upon application of the magnetic field, with nonhomogeneous distribution of magnetization density within the unit element of the OLS. This distribution is determined by the combined effect of the easy-plane geometry of the film and the crystallographic geometry of the opal-like structure with respect to the applied field direction.

Magnetic topology of Co-based inverse opal-like structures

OpenAIRE

Grigoryeva, N.A.; Mistonov, A.A.; Napolskii, K.S.; Sapoletova, N.A.; Eliseev, A.A.; Bouwman, W.; Byelov, D.; Petukhov, A.V.; Chernyshov, D.Y.; Eckerlebe, H.; Vasilieva, A.V.; Grigoriev, S.V.

2011-01-01

The magnetic and structural properties of a cobalt inverse opal-like crystal have been studied by a combination of complementary techniques ranging from polarized neutron scattering and superconducting quantum interference device (SQUID) magnetometry to x-ray diffraction. Microradian small-angle x-ray diffraction shows that the inverse opal-like structure (OLS) synthesized by the electrochemical method fully duplicates the three-dimensional net of voids of the template artificial opal. The in...

Band structure of CdTe under high pressure

International Nuclear Information System (INIS)

Jayam, Sr. Gerardin; Nirmala Louis, C.; Amalraj, A.

2005-01-01

The band structures and density of states of cadmium telluride (CdTe) under various pressures ranging from normal to 4.5 Mbar are obtained. The electronic band structure at normal pressure of CdTe (ZnS structure) is analyzed and the direct band gap value is found to be 1.654 eV. CdTe becomes metal and superconductor under high pressure but before that it undergoes structural phase transition from ZnS phase to NaCl phase. The equilibrium lattice constant, bulk modulus and the phase transition pressure at which the compounds undergo structural phase transition from ZnS to NaCl are predicted from the total energy calculations. The density of states at the Fermi level (N(E F )) gets enhanced after metallization, which leads to the superconductivity in CdTe. In our calculation, the metallization pressure (P M = 1.935 Mbar) and the corresponding reduced volume ((V/V 0 ) M = 0.458) are estimated. Metallization occurs via direct closing of band gap at Γ point. (author)

Intrinsic properties of high-spin band structures in triaxial nuclei

Science.gov (United States)

Jehangir, S.; Bhat, G. H.; Sheikh, J. A.; Palit, R.; Ganai, P. A.

2017-12-01

The band structures of 68,70Ge, 128,130,132,134Ce and 132,134,136,138Nd are investigated using the triaxial projected shell model (TPSM) approach. These nuclei depict forking of the ground-state band into several s-bands and in some cases, both the lowest two observed s-bands depict neutron or proton character. It was discussed in our earlier work that this anomalous behaviour can be explained by considering γ-bands based on two-quasiparticle configurations. As the parent band and the γ-band built on it have the same intrinsic structure, g-factors of the two bands are expected to be similar. In the present work, we have undertaken a detailed investigation of g-factors for the excited band structures of the studied nuclei and the available data for a few high-spin states are shown to be in fair agreement with the predicted values.

Spin splitting in band structures of BiTeX (X=Cl, Br, I) monolayers

Science.gov (United States)

Hvazdouski, D. C.; Baranava, M. S.; Stempitsky, V. R.

2018-04-01

In systems with breaking of inversion symmetry a perpendicular electric field arises that interacts with the conduction electrons. It may give rise to electron state splitting even without influence of external magnetic field due to the spin-orbital interaction (SOI). Such a removal of the spin degeneracy is called the Rashba effect. Nanostructure with the Rashba effect can be part of a spin transistor. Spin degeneracy can be realized in a channel from a material of this type without additive of magnetic ions. Lack of additive increases the charge carrier mobility and reliability of the device. Ab initio simulations of BiTeX (X=Cl, Br, I) monolayers have been carried out using VASP wherein implemented DFT method. The study of this structures is of interest because such sort of structures can be used their as spin-orbitronics materials. The crystal parameters of BiTeCl, BiTeBr, BiTeI have been determined by the ionic relaxation and static calculations. It is necessary to note that splitting of energy bands occurs in case of SOI included. The values of the Rashba coefficient aR (in the range from 6.25 to 10.00 eV·Å) have high magnitudes for spintronics materials. Band structure of monolayers structures have ideal Rashba electron gas, i.e. there no other energy states near to Fermi level except Rashba states.

Band structures in the nematic elastomers phononic crystals

Energy Technology Data Exchange (ETDEWEB)

Yang, Shuai [Department of Mechanics, School of Civil Engineering, Beijing Jiaotong University, Beijing 100044 (China); School of Civil Engineering and Architecture, Anyang Normal University, Anyang 455000 (China); Liu, Ying, E-mail: yliu5@bjtu.edu.cn [Department of Mechanics, School of Civil Engineering, Beijing Jiaotong University, Beijing 100044 (China); Liang, Tianshu [Department of Mechanics, School of Civil Engineering, Beijing Jiaotong University, Beijing 100044 (China)

2017-02-01

As one kind of new intelligent materials, nematic elastomers (NEs) represent an exciting physical system that combines the local orientational symmetry breaking and the entropic rubber elasticity, producing a number of unique physical phenomena. In this paper, the potential application of NEs in the band tuning is explored. The band structures in two kinds of NE phononic crystals (PCs) are investigated. Through changing NE intrinsic parameters, the influence of the porosity, director rotation and relaxation on the band structures in NE PCs are analyzed. This work is a meaningful try for application of NEs in acoustic field and proposes a new intelligent strategy in band turning.

Band structures in the nematic elastomers phononic crystals

International Nuclear Information System (INIS)

Yang, Shuai; Liu, Ying; Liang, Tianshu

2017-01-01

As one kind of new intelligent materials, nematic elastomers (NEs) represent an exciting physical system that combines the local orientational symmetry breaking and the entropic rubber elasticity, producing a number of unique physical phenomena. In this paper, the potential application of NEs in the band tuning is explored. The band structures in two kinds of NE phononic crystals (PCs) are investigated. Through changing NE intrinsic parameters, the influence of the porosity, director rotation and relaxation on the band structures in NE PCs are analyzed. This work is a meaningful try for application of NEs in acoustic field and proposes a new intelligent strategy in band turning.

Microscopy and Chemical Inversing Techniques to Determine the Photonic Crystal Structure of Iridescent Beetle Scales in the Cerambycidae Family

Science.gov (United States)

Richey, Lauren; Gardner, John; Standing, Michael; Jorgensen, Matthew; Bartl, Michael

2010-10-01

Photonic crystals (PCs) are periodic structures that manipulate electromagnetic waves by defining allowed and forbidden frequency bands known as photonic band gaps. Despite production of PC structures operating at infrared wavelengths, visible counterparts are difficult to fabricate because periodicities must satisfy the diffraction criteria. As part of an ongoing search for naturally occurring PCs [1], a three-dimensional array of nanoscopic spheres in the iridescent scales of the Cerambycidae insects A. elegans and G. celestis has been found. Such arrays are similar to opal gemstones and self-assembled colloidal spheres which can be chemically inverted to create a lattice-like PC. Through a chemical replication process [2], scanning electron microscopy analysis, sequential focused ion beam slicing and three-dimensional modeling, we analyzed the structural arrangement of the nanoscopic spheres. The study of naturally occurring structures and their inversing techniques into PCs allows for diversity in optical PC fabrication. [1] J.W. Galusha et al., Phys. Rev. E 77 (2008) 050904. [2] J.W. Galusha et al., J. Mater. Chem. 20 (2010) 1277.

Voltage tunable two-band MIR detection based on Si/SiGe quantum cascade injector structures

International Nuclear Information System (INIS)

Grydlik, M.; Rauter, P.; Meduna, M.; Fromherz, T.; Bauer, G.; Falub, C.; Dehlinger, G.; Sigg, H.; Gruetzmacher, D.

2004-01-01

We report the results of photocurrent spectroscopy in the mid-infrared (MIR) spectral region performed on p-type Si/SiGe cascade structures. The samples were grown by MBE and consist of a series of five SiGe quantum wells with ground states that can be coupled through thin Si barriers by aligning them in energy with an externally applied electric field E bi . Quantum wells and barriers are Boron doped to a level of 2.5 10 17 cm -3 . Our samples contain 10 sequences of the 5 quantum wells separated by 500 nm thick, undoped Si barriers. Vertical photocurrent spectroscopy has been performed for various electric fields applied perpendicular to the quantum wells at temperatures between 10 K and 100 K. Depending on the direction of the externally applied electric field relative to E bi , the photoresponse of our samples can be switched between two MIR detection bands with maxima at 230 meV and 400 meV. Due to the inversion asymmetry of the samples, at 0 V external voltage the samples deliver a short circuit current in the high-energy spectral band. Since the quantum cascades are formed in the valence band of the Si/SiGe structures, the quantum well transitions responsible for the observed photocurrents are allowed for radiation polarized parallel to the quantum wells. Therefore, these structures appear to be suitable for voltage tuneable MIR detection under normal incident radiation. By comparing the experimental results to model calculations, design strategies to optimize the responsivity of the Si/SiGe cascade structures are discussed. (author)

Band connectivity for topological quantum chemistry: Band structures as a graph theory problem

Science.gov (United States)

Bradlyn, Barry; Elcoro, L.; Vergniory, M. G.; Cano, Jennifer; Wang, Zhijun; Felser, C.; Aroyo, M. I.; Bernevig, B. Andrei

2018-01-01

The conventional theory of solids is well suited to describing band structures locally near isolated points in momentum space, but struggles to capture the full, global picture necessary for understanding topological phenomena. In part of a recent paper [B. Bradlyn et al., Nature (London) 547, 298 (2017), 10.1038/nature23268], we have introduced the way to overcome this difficulty by formulating the problem of sewing together many disconnected local k .p band structures across the Brillouin zone in terms of graph theory. In this paper, we give the details of our full theoretical construction. We show that crystal symmetries strongly constrain the allowed connectivities of energy bands, and we employ graph theoretic techniques such as graph connectivity to enumerate all the solutions to these constraints. The tools of graph theory allow us to identify disconnected groups of bands in these solutions, and so identify topologically distinct insulating phases.

Opal shell structures: direct assembly versus inversion approach.

Science.gov (United States)

Deng, Tian-Song; Sharifi, Parvin; Marlow, Frank

2013-09-16

Opal shell structures can be fabricated in two ways: By direct assembly from hollow spheres (hs-opal) or by infiltration of precursors into opal templates and inversion. The resulting lattice disturbances were characterized by scanning electron microscopy (SEM), optical microscopy, and transmission spectra. The hs-opal system shows much lower disturbances, for example, a lower number of cracks and lattice deformations. The strong suppression of crack formation in one of these inverse opal structures can be considered as promising candidates for the fabrication of more perfect photonic crystals. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Band structures in Sierpinski triangle fractal porous phononic crystals

International Nuclear Information System (INIS)

Wang, Kai; Liu, Ying; Liang, Tianshu

2016-01-01

In this paper, the band structures in Sierpinski triangle fractal porous phononic crystals (FPPCs) are studied with the aim to clarify the effect of fractal hierarchy on the band structures. Firstly, one kind of FPPCs based on Sierpinski triangle routine is proposed. Then the influence of the porosity on the elastic wave dispersion in Sierpinski triangle FPPCs is investigated. The sensitivity of the band structures to the fractal hierarchy is discussed in detail. The results show that the increase of the hierarchy increases the sensitivity of ABG (Absolute band gap) central frequency to the porosity. But further increase of the fractal hierarchy weakens this sensitivity. On the same hierarchy, wider ABGs could be opened in Sierpinski equilateral triangle FPPC; whilst, a lower ABG could be opened at lower porosity in Sierpinski right-angled isosceles FPPCs. These results will provide a meaningful guidance in tuning band structures in porous phononic crystals by fractal design.

Band structures in Sierpinski triangle fractal porous phononic crystals

Energy Technology Data Exchange (ETDEWEB)

Wang, Kai; Liu, Ying, E-mail: yliu5@bjtu.edu.cn; Liang, Tianshu

2016-10-01

In this paper, the band structures in Sierpinski triangle fractal porous phononic crystals (FPPCs) are studied with the aim to clarify the effect of fractal hierarchy on the band structures. Firstly, one kind of FPPCs based on Sierpinski triangle routine is proposed. Then the influence of the porosity on the elastic wave dispersion in Sierpinski triangle FPPCs is investigated. The sensitivity of the band structures to the fractal hierarchy is discussed in detail. The results show that the increase of the hierarchy increases the sensitivity of ABG (Absolute band gap) central frequency to the porosity. But further increase of the fractal hierarchy weakens this sensitivity. On the same hierarchy, wider ABGs could be opened in Sierpinski equilateral triangle FPPC; whilst, a lower ABG could be opened at lower porosity in Sierpinski right-angled isosceles FPPCs. These results will provide a meaningful guidance in tuning band structures in porous phononic crystals by fractal design.

BAND STRUCTURE OF NON-STEIOCHIOMETRIC LARGE-SIZED NANOCRYSTALLITES

Directory of Open Access Journals (Sweden)

I.V.Kityk

2004-01-01

Full Text Available A band structure of large-sized (from 20 to 35nm non-steichiometric nanocrystallites (NC of the Si2-xCx (1.04 < x < 1.10 has been investigated using different band energy approaches and a modified Car-Parinello molecular dynamics structure optimization of the NC interfaces. The non-steichiometric excess of carbon favors the appearance of a thin prevailingly carbon-contained layer (with thickness of about 1 nm covering the crystallites. As a consequence, one can observe a substantial structure reconstruction of boundary SiC crystalline layers. The numerical modeling has shown that these NC can be considered as SiC reconstructed crystalline films with thickness of about 2 nm covering the SiC crystallites. The observed data are considered within the different one-electron band structure methods. It was shown that the nano-sized carbon sheet plays a key role in a modified band structure. Independent manifestation of the important role played by the reconstructed confined layers is due to the experimentally discovered excitonic-like resonances. Low-temperature absorption measurements confirm the existence of sharp-like absorption resonances originating from the reconstructed layers.

Band Structure Characteristics of Nacreous Composite Materials with Various Defects

Science.gov (United States)

Yin, J.; Zhang, S.; Zhang, H. W.; Chen, B. S.

2016-06-01

Nacreous composite materials have excellent mechanical properties, such as high strength, high toughness, and wide phononic band gap. In order to research band structure characteristics of nacreous composite materials with various defects, supercell models with the Brick-and-Mortar microstructure are considered. An efficient multi-level substructure algorithm is employed to discuss the band structure. Furthermore, two common systems with point and line defects and varied material parameters are discussed. In addition, band structures concerning straight and deflected crack defects are calculated by changing the shear modulus of the mortar. Finally, the sensitivity of band structures to the random material distribution is presented by considering different volume ratios of the brick. The results reveal that the first band gap of a nacreous composite material is insensitive to defects under certain conditions. It will be of great value to the design and synthesis of new nacreous composite materials for better dynamic properties.

Analysis on X-band structure breakdown at GLCTA

International Nuclear Information System (INIS)

Suehara, T.; Sanuki, T.; Komamiya, S.; Higo, T.; Hayano, H.; Terunuma, N.; Saeki, T.; Watanabe, K.; Hayakawa, A.; Tsukada, Y.

2004-01-01

We have built a new monitoring system for accelerator structure breakdown in the X-band high-gradient test facility at KEK (GLCTA: Global Linear Collider Test Accelerator). An X-band test structure KX01 (made by KEK) has been processed at GLCTA and we have been collecting data for about 3 months using this breakdown monitoring system. We describe overview of the monitoring system and preliminary result of breakdown analysis of the structure. (author)

STRUCTURAL IDENTIFICATION OF DISTINCT INVERSIONS OF PLANAR KINEMATIC CHAINS

Directory of Open Access Journals (Sweden)

Dr. Shubhashis Sanyal

2011-12-01

Full Text Available 0 0 1 171 979 International Islamic University 8 2 1148 14.0 Normal 0 false false false EN-US JA X-NONE /* Style Definitions */ table.MsoNormalTable {mso-style-name:"Table Normal"; mso-tstyle-rowband-size:0; mso-tstyle-colband-size:0; mso-style-noshow:yes; mso-style-priority:99; mso-style-parent:""; mso-padding-alt:0cm 5.4pt 0cm 5.4pt; mso-para-margin:0cm; mso-para-margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:11.0pt; font-family:"Times New Roman";} Inversions are various structural possibilities of a kinematic chain. The number of inversions depends on the number of links of a kinematic chain. At the stage of structural synthesis, identification of distinct structural inversions of a particular type of kinematic chain is necessary. Various researchers have proposed methods for identification of distinct inversions. Present method based on Link joint connectivity is proposed to identify the distinct inversions of a planar kinematic chain. Method is tested successfully on single degree and multiple degree of freedom planar kinematic chains. ABSTRAK: Penyonsangan merupakan kebarangkalian pelbagai struktur suatu rangkaian kinematik. Jumlah songsangan bergantung kepada jumlah hubungan suatu rangkaian kinematik. Pada peringkat sintesis struktur, pengenalan songsangan struktur yang berbeza untuk suatu jenis rangkaian kinematik adalah perlu. Ramai penyelidik telah mencadangkan pelbagai kaedah pengenalan songsangan yang berbeza. Kaedah terkini berdasarkan hubungan kesambungan bersama telah dicadangkan untuk mengenalpasti songsangan yang berbeza dalam suatu satah rangkaian kinematik.

Maximizing band gaps in plate structures

DEFF Research Database (Denmark)

Halkjær, Søren; Sigmund, Ole; Jensen, Jakob Søndergaard

2006-01-01

periodic plate using Bloch theory, which conveniently reduces the maximization problem to that of a single base cell. Secondly, we construct a finite periodic plate using a number of the optimized base cells in a postprocessed version. The dynamic properties of the finite plate are investigated......Band gaps, i.e., frequency ranges in which waves cannot propagate, can be found in elastic structures for which there is a certain periodic modulation of the material properties or structure. In this paper, we maximize the band gap size for bending waves in a Mindlin plate. We analyze an infinite...... theoretically and experimentally and the issue of finite size effects is addressed....

Electronic band structure of lithium, sodium and potassium fluorides

International Nuclear Information System (INIS)

Jouanin, C.; Albert, J.P.; Gout, C.

1975-01-01

A mixed tight-binding, pseudopotential method is proposed to calculate the energy band structure of large-gap crystals and is tested here on LiF, NaF and KF. Three-centre terms are included in the determination of the valence bands by the tight-binding method and for the conduction bands we use a pseudopotential model proposed by Bassani and Giuliano, modified for the positive ions. By taking into account the polarization corrections, transitions calculated from the energy band structures are compared with experimental data and the agreement is generally good

Band structure analysis in SiGe nanowires

Energy Technology Data Exchange (ETDEWEB)

Amato, Michele [' Centro S3' , CNR-Istituto Nanoscienze, via Campi 213/A, 41100 Modena (Italy); Dipartimento di Scienze e Metodi dell' Ingegneria, Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy); Palummo, Maurizia [European Theoretical Spectroscopy Facility (ETSF) (Italy); CNR-INFM-SMC, Dipartimento di Fisica, Universita di Roma, ' Tor Vergata' , via della Ricerca Scientifica 1, 00133 Roma (Italy); Ossicini, Stefano, E-mail: stefano.ossicini@unimore.it [' Centro S3' , CNR-Istituto Nanoscienze, via Campi 213/A, 41100 Modena (Italy) and Dipartimento di Scienze e Metodi dell' Ingegneria, Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy) and European Theoretical Spectroscopy Facility - ETSF (Italy) and Centro Interdipartimentale ' En and Tech' , Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy)

2012-06-05

One of the main challenges for Silicon-Germanium nanowires (SiGe NWs) electronics is the possibility to modulate and engine their electronic properties in an easy way, in order to obtain a material with the desired electronic features. Diameter and composition constitute two crucial ways for the modification of the band gap and of the band structure of SiGe NWs. Within the framework of density functional theory we present results of ab initio calculations regarding the band structure dependence of SiGe NWs on diameter and composition. We point out the main differences with respect to the case of pure Si and Ge wires and we discuss the particular features of SiGe NWs that are useful for future technological applications.

Band structure analysis in SiGe nanowires

International Nuclear Information System (INIS)

Amato, Michele; Palummo, Maurizia; Ossicini, Stefano

2012-01-01

One of the main challenges for Silicon-Germanium nanowires (SiGe NWs) electronics is the possibility to modulate and engine their electronic properties in an easy way, in order to obtain a material with the desired electronic features. Diameter and composition constitute two crucial ways for the modification of the band gap and of the band structure of SiGe NWs. Within the framework of density functional theory we present results of ab initio calculations regarding the band structure dependence of SiGe NWs on diameter and composition. We point out the main differences with respect to the case of pure Si and Ge wires and we discuss the particular features of SiGe NWs that are useful for future technological applications.

Investigation of optical properties of PMMA opals and inverse opals with YVO4-Eu nano-phosphors

International Nuclear Information System (INIS)

Thakur, Shashi; Gathania, Arvind K.

2015-01-01

In recent years, opals and inverse opals have attracted the attention of researchers because of their potential applications in photonic devices. The idea of the periodic photonic crystal was proposed by Yablonovitch and John. The photonic crystals are in analogy with crystalline solid: electromagnetic waves propagating in the photonic crystal experienced periodic spatial variation of dielectric constant, as the de Broglie wave propagation in crystalline solids experienced periodic variation of the atomic potential. In the present work we synthesized the PMMA spheres using colloidal crystallization method and PMMA colloidal multilayer crystal were developed on the quartz substrate by self-assembly vertical deposition method. Afterward PMMA microspheres were infiltrated with YVO 4 -Eu nano-phosphors followed by heating at 500 °C and above to form the inverse opals. Transmission spectra for pure PMMA, infiltrated PMMA and inverse opal of PMMA are obtained. The colloidal crystal multilayer shows a stop band at 596nm, which arises from the Bragg reflection of the (111) planes. The central position of this band gap is shifted to 608nm because of the change in the refractive index of the structure after infiltration. As the calcination was carried out at 500 °C and 600 °C, the central position of the band shifted to 483nm and 500nm respectively, because of the change in the effective refractive index of the structure and shrinkage in the direction perpendicular to the film. The resulting structure still exhibits a band gap, as the crystalline ordering is kept after the crystal is inverted. The intensity of inverse opals of PMMA is very small as compared to the bulk powder briefing the application of microstructures for the low voltage light emitting diodes (LEDs). The results show band gap and luminescent characteristics strongly depend upon infiltration. (author)

Border Structure of Intercalary Heterochromatin Bands of Drosophila melanogaster Polytene Chromosomes.

Science.gov (United States)

Khoroshko, V A; Zykova, T Yu; Popova, O O; Zhimulev, I F

2018-03-01

The precise genomic localization of the borders of 62 intercalary heterochromatin bands in Drosophila polytene chromosomes was determined. A new type of bands containing chromatin of different states was identified. This type is a combination of the gray band and the intercalary heterochromatin band, creating a genetic structure that with a light microscope is identified as a continuous band. The border structure of such bands includes the coding regions of genes with ubiquitous activity.

Effect of correlation on the band structure of α-cerium

International Nuclear Information System (INIS)

Rao, R.S.; Singh, R.P.

1975-01-01

The electronic band structure of f.c.c. phase of the rare earth metal cerium (α-cerium) has been calculated using a formulation of the crystal potential where correlation also has been included in addition to exchange. The Green's function method of Korringa-Kohn and Rostoker has been used due to obvious advantages in calculation. The calculations indicate that the s-d bands are hybridized with the f-levels but the f-bands are fairly narrow and lie slightly above the Fermi level. The structure of the bands is qualitatively similar to those of calculations by others except for a general shift of the entire set of bands by about 0.1 Ryd. Thd density of states has also been calculated from the bands obtained. The spin susceptibility of α-cerium has also been calculated using the Kohn-Sham method. However, the calculated additional contributions to the band structure values cannot still explain the large experimental values reported in the literature. (author)

The modulation of upconversion in BaTiO{sub 3}:Yb{sup 3+}, Er{sup 3+} inverse opal structures

Energy Technology Data Exchange (ETDEWEB)

Tan, Tianya; Han, Yazhou; Zhang, Chunyu; Ji, Yanan; Zhang, Fan; Chen, Qiang; Wang, Chun; Mei, Yong; Xu, Panfeng; Li, Lina [College of Physics, Liaoning University, Shenyang 110036 (China); Zhu, Yongsheng, E-mail: yongshengzhu0001@163.com [College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061 (China); Wang, Jiwei, E-mail: jiweiwang6688@yahoo.com [College of Physics, Liaoning University, Shenyang 110036 (China)

2017-03-15

Under 980 nm excitation, it is observed that green upconversion emission is suppressed whereas red emission is enhanced when the photonic band gap (PBG) covers the spectral region of green emission in the BaTiO{sub 3}: Yb{sup 3+}, Er{sup 3+} inverse opal structure. The investigation of the PBG effect on upconversion dynamics reveals that the population of the low level {sup 4}I{sub 13/2} is increased by both cross relaxation and energy back transfer processes when spontaneous emission of higher levels is suppressed. Then, following energy transfer or excited state absorption processes starting from {sup 4}I{sub 13/2}, the intensity of red emission is enhanced. The ratio of 525 nm versus 550 nm emission presents the temperature of samples when the PBG complete or absent covers the green emission band. However, the branching ratio deviates the temperature index in condition of a part of overlap between PBG and green emission band.

The cellular approach to band structure calculations

International Nuclear Information System (INIS)

Verwoerd, W.S.

1982-01-01

A short introduction to the cellular approach in band structure calculations is given. The linear cellular approach and its potantial applicability in surface structure calculations is given some consideration in particular

Band alignment in ZnSe/Zn1-x-yCdxMnySe quantum-well structures

International Nuclear Information System (INIS)

Yu, W.Y.; Salib, M.S.; Petrou, A.; Jonker, B.T.; Warnock, J.

1997-01-01

We present a magneto-optical study of ZnSe/Zn 1-x-y Cd x Mn y Se quantum-well structures in which a suitable choice of the Cd composition leads to a system that is type I at zero magnetic field. When a magnetic field is applied perpendicular to the layers of the structure, the band edges split in such a way as to make the upper σ - (1/2, t 3/2) exciton transition type II, while the ground state σ + (-1/2, -3/2) exciton component remains type I at all field values. This alignment reduces the probability for carrier relaxation from the higher-energy exciton component and opens the possibility of hole-spin population inversion via optical pumping. copyright 1997 The American Physical Society

Electronic band structure

International Nuclear Information System (INIS)

Grosso, G.

1986-01-01

The aim of this chapter is to present, in detail, some theoretical methods used to calculate electronic band structures in crystals. The basic strategies employed to attack the problem of electronic-structure calculations are presented. Successive sections present the basic formulations of the tight-binding, orthogonalized-plane-wave, Green'sfunction, and pseudopotential methods with a discussion of their application to perfect solids. Exemplifications in the case of a few selected problems provide further insight by the author into the physical aspects of the different methods and are a guide to the use of their mathematical techniques. A discussion is offered of completely a priori Hartree-Fock calculations and attempts to extend them. Special aspects of the different methods are also discussed in light of recently published related work

Novel structural flexibility identification in narrow frequency bands

International Nuclear Information System (INIS)

Zhang, J; Moon, F L

2012-01-01

A ‘Sub-PolyMAX’ method is proposed in this paper not only for estimating modal parameters, but also for identifying structural flexibility by processing the impact test data in narrow frequency bands. The traditional PolyMAX method obtains denominator polynomial coefficients by minimizing the least square (LS) errors of frequency response function (FRF) estimates over the whole frequency range, but FRF peaks in different structural modes may have different levels of magnitude, which leads to the modal parameters identified for the modes with small FRF peaks being inaccurate. In contrast, the proposed Sub-PolyMAX method implements the LS solver in each subspace of the whole frequency range separately; thus the results identified from a narrow frequency band are not affected by FRF data in other frequency bands. In performing structural identification in narrow frequency bands, not in the whole frequency space, the proposed method has the following merits: (1) it produces accurate modal parameters, even for the modes with very small FRF peaks; (2) it significantly reduces computation cost by reducing the number of frequency lines and the model order in each LS implementation; (3) it accurately identifies structural flexibility from impact test data, from which structural deflection under any static load can be predicted. Numerical and laboratory examples are investigated to verify the effectiveness of the proposed method. (paper)

Effect of inversion layer at iron pyrite surface on photovoltaic device

Science.gov (United States)

Uchiyama, Shunsuke; Ishikawa, Yasuaki; Uraoka, Yukiharu

2018-03-01

Iron pyrite has great potential as a thin-film solar cell material because it has high optical absorption, low cost, and is earth-abundant. However, previously reported iron pyrite solar cells showed poor photovoltaic characteristics. Here, we have numerically simulated its photovoltaic characteristics and band structures by utilizing a two-dimensional (2D) device simulator, ATLAS, to evaluate the effects of an inversion layer at the surface and a high density of deep donor defect states in the bulk. We found that previous device structures did not consider the inversion layer at the surface region of iron pyrite, which made it difficult to obtain the conversion efficiency. Therefore, we remodeled the device structure and suggested that removing the inversion layer and reducing the density of deep donor defect states would lead to a high conversion efficiency of iron pyrite solar cells.

Optimum design of band-gap beam structures

DEFF Research Database (Denmark)

Olhoff, Niels; Niu, Bin; Cheng, Gengdong

2012-01-01

The design of band-gap structures receives increasing attention for many applications in mitigation of undesirable vibration and noise emission levels. A band-gap structure usually consists of a periodic distribution of elastic materials or segments, where the propagation of waves is impeded...... or significantly suppressed for a range of external excitation frequencies. Maximization of the band-gap is therefore an obvious objective for optimum design. This problem is sometimes formulated by optimizing a parameterized design model which assumes multiple periodicity in the design. However, it is shown...... in the present paper that such an a priori assumption is not necessary since, in general, just the maximization of the gap between two consecutive natural frequencies leads to significant design periodicity. The aim of this paper is to maximize frequency gaps by shape optimization of transversely vibrating...

Light-Induced Type-II Band Inversion and Quantum Anomalous Hall State in Monolayer FeSe

Science.gov (United States)

Wang, Z. F.; Liu, Zhao; Yang, Jinlong; Liu, Feng

2018-04-01

Coupling a quantum anomalous Hall (QAH) state with a superconducting state offers an attractive approach to detect the signature alluding to a topological superconducting state [Q. L. He et al., Science 357, 294 (2017), 10.1126/science.aag2792], but its explanation could be clouded by disorder effects in magnetic doped QAH materials. On the other hand, an antiferromagnetic (AFM) quantum spin Hall (QSH) state is identified in the well-known high-temperature 2D superconductor of monolayer FeSe [Z. F. Wang et al., Nat. Mater. 15, 968 (2016), 10.1038/nmat4686]. Here, we report a light-induced type-II band inversion (BI) and a QSH-to-QAH phase transition in the monolayer FeSe. Depending on the handedness of light, a spin-tunable QAH state with a high Chern number of ±2 is realized. In contrast to the conventional type-I BI resulting from intrinsic spin-orbital coupling (SOC), which inverts the band an odd number of times and respects time reversal symmetry, the type-II BI results from a light-induced handedness-dependent effective SOC, which inverts the band an even number of times and does not respect time reversal symmetry. The interplay between these two SOC terms makes the spin-up and -down bands of an AFM QSH state respond oppositely to a circularly polarized light, leading to the type-II BI and an exotic topological phase transition. Our finding affords an exciting opportunity to detect Majorana fermions in one single material without magnetic doping.

Phononic band gap structures as optimal designs

DEFF Research Database (Denmark)

Jensen, Jakob Søndergaard; Sigmund, Ole

2003-01-01

In this paper we use topology optimization to design phononic band gap structures. We consider 2D structures subjected to periodic loading and obtain the distribution of two materials with high contrast in material properties that gives the minimal vibrational response of the structure. Both in...

Design of an X-band accelerating structure using a newly developed structural optimization procedure

Energy Technology Data Exchange (ETDEWEB)

Huang, Xiaoxia [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Fang, Wencheng; Gu, Qiang [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Zhao, Zhentang, E-mail: zhaozhentang@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); University of Chinese Academy of Sciences, Beijing 100049 (China)

2017-05-11

An X-band high gradient accelerating structure is a challenging technology for implementation in advanced electron linear accelerator facilities. The present work discusses the design of an X-band accelerating structure for dedicated application to a compact hard X-ray free electron laser facility at the Shanghai Institute of Applied Physics, and numerous design optimizations are conducted with consideration for radio frequency (RF) breakdown, RF efficiency, short-range wakefields, and dipole/quadrupole field modes, to ensure good beam quality and a high accelerating gradient. The designed X-band accelerating structure is a constant gradient structure with a 4π/5 operating mode and input and output dual-feed couplers in a racetrack shape. The design process employs a newly developed effective optimization procedure for optimization of the X-band accelerating structure. In addition, the specific design of couplers providing high beam quality by eliminating dipole field components and reducing quadrupole field components is discussed in detail.

Inverse Analysis of Cavitation Impact Phenomena on Structures

National Research Council Canada - National Science Library

Lambrakos, S. G; Tran, N. E

2007-01-01

A general methodology is presented for in situ detection of cavitation impact phenomena on structures based on inverse analysis of luminescent emissions resulting from the collapsing of bubbles onto surfaces...

Rapid fabrication of 2D and 3D photonic crystals and their inversed structures

International Nuclear Information System (INIS)

Huang, C-K; Chan, C-H; Chen, C-Y; Tsai, Y-L; Chen, C-C; Han, J-L; Hsieh, K-H

2007-01-01

In this paper a new technique is proposed for the fabrication of two-dimensional (2D) and three-dimensional (3D) photonic crystals using monodisperse polystyrene microspheres as the templates. In addition, the approaches toward the creation of their corresponding inversed structures are described. The inversed structures were prepared by subjecting an introduced silica source to a sol-gel process; programmed heating was then performed to remove the template without spoiling the inversed structures. Utilizing these approaches, 2D and 3D photonic crystals and their highly ordered inversed hexagonal multilayer or monolayer structures were obtained on the substrate

Jump-and-return sandwiches: A new family of binomial-like selective inversion sequences with improved performance

Science.gov (United States)

Brenner, Tom; Chen, Johnny; Stait-Gardner, Tim; Zheng, Gang; Matsukawa, Shingo; Price, William S.

2018-03-01

A new family of binomial-like inversion sequences, named jump-and-return sandwiches (JRS), has been developed by inserting a binomial-like sequence into a standard jump-and-return sequence, discovered through use of a stochastic Genetic Algorithm optimisation. Compared to currently used binomial-like inversion sequences (e.g., 3-9-19 and W5), the new sequences afford wider inversion bands and narrower non-inversion bands with an equal number of pulses. As an example, two jump-and-return sandwich 10-pulse sequences achieved 95% inversion at offsets corresponding to 9.4% and 10.3% of the non-inversion band spacing, compared to 14.7% for the binomial-like W5 inversion sequence, i.e., they afforded non-inversion bands about two thirds the width of the W5 non-inversion band.

Complete theory of symmetry-based indicators of band topology.

Science.gov (United States)

Po, Hoi Chun; Vishwanath, Ashvin; Watanabe, Haruki

2017-06-30

The interplay between symmetry and topology leads to a rich variety of electronic topological phases, protecting states such as the topological insulators and Dirac semimetals. Previous results, like the Fu-Kane parity criterion for inversion-symmetric topological insulators, demonstrate that symmetry labels can sometimes unambiguously indicate underlying band topology. Here we develop a systematic approach to expose all such symmetry-based indicators of band topology in all the 230 space groups. This is achieved by first developing an efficient way to represent band structures in terms of elementary basis states, and then isolating the topological ones by removing the subset of atomic insulators, defined by the existence of localized symmetric Wannier functions. Aside from encompassing all earlier results on such indicators, including in particular the notion of filling-enforced quantum band insulators, our theory identifies symmetry settings with previously hidden forms of band topology, and can be applied to the search for topological materials.Understanding the role of topology in determining electronic structure can lead to the discovery, or appreciation, of materials with exotic properties such as protected surface states. Here, the authors present a framework for identifying topologically distinct band-structures for all 3D space groups.

Large Band Gap of alpha-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopy

Science.gov (United States)

Sinn, Soobin; Kim, Choong Hyun; Sandilands, Luke; Lee, Kyungdong; Won, Choongjae; Oh, Ji Seop; Han, Moonsup; Chang, Young Jun; Hur, Namjung; Sato, Hitoshi; Park, Byeong-Gyu; Kim, Changyoung; Kim, Hyeong-Do; Noh, Tae Won

The Kitaev honeycomb lattice model has attracted great attention because of its possibility to stabilize a quantum spin liquid ground state. Recently, it was proposed that alpha-RuCl3 is its material realization and the first 4 d relativistic Mott insulator from an optical spectrum and LDA + U + SO calculations. Here, we present photoemission and inverse photoemission spectra of alpha-RuCl3. The observed band gap is about 1.8 eV, which suggests that the previously assigned optical gap of 0.3 eV is misinterpreted, and that the strong peak at about 1.2 eV in the optical spectrum may be associated with an actual optical gap. Assuming a strong excitonic effect of 0.6 eV in the optical spectrum, all the structures except for the peak at 0.3 eV are consistent with our electronic spectra. When compared with LDA + U + SO calculations, the value of U should be considerably larger than the previous one, which implies that the spin-orbit coupling is not a necessary ingredient for the insulating mechanism of alpha-RuCl3. We also present angle-resolved photoemission spectra to be compared with LDA + U + SO and LDA +DMFT calculations.

Design of dual band FSS by using quadruple L-slot technique

Science.gov (United States)

Fauzi, Noor Azamiah Md; Aziz, Mohamad Zoinol Abidin Abd.; Said, Maizatul Alice Meor; Othman, Mohd Azlishah; Ahmad, Badrul Hisham; Malek, Mohd Fareq Abd

2015-05-01

This paper presents a new design of dual band frequency selective surface (FSS) for band pass microwave transmission application. FSS can be used on energy saving glass to improve the transmission of wireless communication signals through the glass. The microwave signal will be attenuate when propagate throughout the different structure such as building. Therefore, some of the wireless communication system cannot be used in the optimum performance. The aim of this paper is designed, simulated and analyzed the new dual band FSS structure for microwave transmission. This design is based on a quadruple L slot combined with cross slot to produce pass band at 900 MHz and 2.4 GHz. The vertical of pair inverse L slot is used as the band pass for the frequency of 2.4GHz. While, the horizontal of pair inverse L slot is used as the band pass at frequency 900MHz. This design is simulated and analyzed by using Computer Simulation Technology (CST) Microwave Studio (MWS) software. The characteristics of the transmission (S21) and reflection (S11) of the dual band FSS were simulater and analyzed. The bandwidth of the first band is 118.91MHz which covered the frequency range from 833.4MHz until 952.31MHz. Meanwhile, the bandwidth for the second band is 358.84MHz which covered the frequency range from 2.1475GHz until 2.5063GHz. The resonance/center frequency of this design is obtained at 900MHz with a 26.902dB return loss and 2.37GHz with 28.506dB a return loss. This FSS is suitable as microwave filter for GSM900 and WLAN 2.4GHz application.

Location of the valence band maximum in the band structure of anisotropic 1 T'-ReSe2

Science.gov (United States)

Eickholt, P.; Noky, J.; Schwier, E. F.; Shimada, K.; Miyamoto, K.; Okuda, T.; Datzer, C.; Drüppel, M.; Krüger, P.; Rohlfing, M.; Donath, M.

2018-04-01

Transition-metal dichalcogenides (TMDCs) are a focus of current research due to their fascinating optical and electronic properties with possible technical applications. ReSe2 is an interesting material of the TMDC family, with unique anisotropic properties originating from its distorted 1 T structure (1 T '). To develop a fundamental understanding of the optical and electric properties, we studied the underlying electronic structure with angle-resolved photoemission (ARPES) as well as band-structure calculations within the density functional theory (DFT)-local density approximation (LDA) and GdW approximations. We identified the Γ ¯M¯1 direction, which is perpendicular to the a axis, as a distinct direction in k space with the smallest bandwidth of the highest valence band. Using photon-energy-dependent ARPES, two valence band maxima are identified within experimental limits of about 50 meV: one at the high-symmetry point Z , and a second one at a non-high-symmetry point in the Brillouin zone. Thus, the position in k space of the global valence band maximum is undecided experimentally. Theoretically, an indirect band gap is predicted on a DFT-LDA level, while quasiparticle corrections lead to a direct band gap at the Z point.

Influence of triaxiality on the signature inversion in odd-odd nuclei

International Nuclear Information System (INIS)

Zheng, R.R.; Luo, X.D.; Timar, J.; Sohler, S.; Nyako, B.M.; Zolnai, L.; Paul, E.S.

2004-01-01

Complete text of publication follows. Signature inversion in the A ∼ 100 region has been reported earlier only in the case of the odd-odd 98 Rh nucleus. Our studies on the 100-103 Rh isotopes and a close inspection of the known πg 9/2 νh 11/ 2 bands of the Rh (Z = 45) and Ag (Z = 47) isotopes revealed that the signature splitting effects, earlier considered as quenchings of signature splitting, are not only quenchings but signature inversions. Indeed, the energetically favored signature at low spins in these πg 9/2 νh 11/2 bands is the α = 1 branch (odd spins) instead of the expected α = 0 branch (even spins). The systematic occurrence of signature inversion in this mass region is discussed in Refs. together with attempts to understand its behavior qualitatively. Among many attempts for interpreting the mechanism of signature inversion in odd-odd nuclei, a model using an axially symmetric rotor plus two quasi-particles has already been successfully applied to describe the observed signature inversions in the A ∼ 80 and A ∼ 160 mass regions. According to this model the signature inversion is caused by the competition between the Coriolis and the proton-neutron residual interactions in low K space. Such calculations have been also successfully applied to the π g9/2 νh 11/2 bands in the odd-odd 98 Rh and 102 Rh nuclei. Recent observations of chiral band structures in the nearby Rh nuclei suggest a possibility of triaxiality in these nuclei, too. In the present work we examined the possible influence of triaxiality on the signature inversion using a triaxial rotor plus two-quasiparticle model and compared the results with the experimental data of 98 Rh and 102 Rh. The calculations provided a better agreement with the experiment than the axially symmetric calculations. Compared to the axially symmetric case, the triaxiality applied in the Hamiltonian enlarges the amplitudes of high-spin signature zigzags at small triaxial deformation and might push the

Relationship between structure and reactivity in AOT inverse micelles

International Nuclear Information System (INIS)

Petit, Christophe

1988-01-01

As inverse micelles can be considered as chemical micro-reactors, the objective of this research thesis is to show that reaction rates can be modified, either by varying the size of micro-reactors, or by modifying the location of one of the reactants. After a brief overview of noticeable results obtained on AOT inverse micelles about the structure and reactivity, the author reports the study of structural modifications induced by an addition of small molecules or proteins. Two complementary models are proposed on this purpose: a geometrical model which reports the medium microscopic evolution and a kinetic model which could report the system microscopic evolution as well reactivity changes with respect to probe location. The next part reports the study of in situ synthesis of semi-conductor particles in AOT inverse micelles. The author then reports that a surprising aspect of macromolecule solubilization has been noticed: the solubilization of a polypeptide, gelatine, allows the whole system to be gelled whereas gelatine is essentially polar [fr

Band structure of superlattice with δ-like potential

International Nuclear Information System (INIS)

Gashimzade, N.F.; Gashimzade, F.M.; Hajiev, A.T.

1993-08-01

Band structure of superlattice with δ-like potential has been calculated taking into account interaction of carriers of different kinds. Superlattices of semiconductors with degenerated valence band and zero-gap semiconductors have been considered. For the latter semimetal-semiconductor transition has been obtained. (author). 8 refs, 1 fig

Band structural properties of MoS2 (molybdenite)

International Nuclear Information System (INIS)

Gupta, V.P.

1980-01-01

Semiconductivity and superconductivity in MoS 2 (molybdenite) can be understood in terms of the band structure of MoS 2 . The band structural properties of MoS 2 are presented here. The energy dependence of nsub(eff) and epsilon(infinity)sub(eff) is investigated. Using calculated values of nsub(eff) and epsilon(infinity)sub(eff), the Penn gap has been determined. The value thus obtained is shown to be in good agreement with the reflectivity data and also with the value obtained from the band structure. The Ravindra and Srivastava formula has been shown to give values for the isobaric temperature gradient of Esub(G)[(deltaEsub(G)/deltaT)sub(P)], which are in agreement with the experimental data, and the contribution to (deltaEsub(G)/deltaT)sub(P) due to the electron lattice interaction has been evaluated. In addition, the electronic polarizability has been calculated using a modified Lorentz-Lorenz relation. (author)

Receiver function structure beneath a broad-band seismic station in south Sumatra

Science.gov (United States)

MacPherson, K. A.; Hidayat, D.; Goh, S.

2010-12-01

We estimated the one-dimensional velocity structure beneath a broad-band station in south Sumatra by the forward modeling and inversion of receiver functions. Station PMBI belongs to the GEOFON seismic network maintained by GFZ-Potsdam, and at a longitude of 104.77° and latitude of -2.93°, sits atop the south Sumatran basin. This station is of interest to researchers at the Earth Observatory of Singapore, as data from it and other stations in Sumatra and Singapore will be incorporated into a regional velocity model for use in seismic hazard analyses. Three-component records from 193 events at teleseismic distances and Mw ≥ 5.0 were examined for this study and 67 records were deemed to have sufficient signal to noise characteristics to be retained for analysis. Observations are primarily from source zones in the Bougainville trench with back-azimuths to the east-south-east, the Japan and Kurile trenches with back-azimuths to the northeast, and a scattering of observations from other azimuths. Due to the level of noise present in even the higher-quality records, the usual frequency-domain deconvolution method of computing receiver functions was ineffective, and a time-domain iterative deconvolution was employed to obtain usable wave forms. Receiver functions with similar back-azimuths were stacked in order to improve their signal to noise ratios. The resulting wave forms are relatively complex, with significant energy being present in the tangential components, indicating heterogeneity in the underlying structure. A dip analysis was undertaken but no clear pattern was observed. However, it is apparent that polarities of the tangential components were generally reversed for records that sample the Sunda trench. Forward modeling of the receiver functions indicates the presence of a near-surface low-velocity layer (Vp≈1.9 km/s) and a Moho depth of ~31 km. Details of the crustal structure were investigated by employing time-domain inversions of the receiver

Ab-initio electronic band structure calculations for beryllium chalcogenides

International Nuclear Information System (INIS)

Kalpana, G.; Pari, G.; Yousuf, Mohammad

1997-01-01

The first principle tight-binding linear muffin-tin orbital method within the local density approximation (LDA) has been used to calculate the ground state properties, structural phase transition and pressure dependence of band gap of BeS, BeSe and BeTe. We have calculated the energy-volume relations for these compounds in the B3 and B8 phases. The calculated lattice parameters, bulk modulus and the pressure-volume relation were found to be in good agreement with the recent experimental results. The calculated B3→B8 structural transition pressure for BeS, BeSe and BeTe agree well with the recent experimental results. Our calculations show that these compounds are indirect band gap (Γ-X) semiconductors at ambient conditions. The calculated band gap values are found to be underestimated by 20-30% which is due to the usage of LDA. After the structural transition to the B8 phase, BeS continues to be indirect band gap semiconductors and ultimately above 100 GPa it metallises, BeSe and BeTe are metallic at the B3→B8 structural transition. (author)

A theory of the inverse magnetoelectric effect in layered magnetostrictive-piezoelectric structures

Science.gov (United States)

Filippov, D. A.; Radchenko, G. S.; Firsova, T. O.; Galkina, T. A.

2017-05-01

A theory of the inverse magnetoelectric effect in layered structures has been presented. The theory is based on solving the equations of elastodynamics and electrostatics separately for the magnetostrictive and piezoelectric phases, taking into account the conditions at the interface between the phases. Expressions for the coefficient of inverse magnetoelectric conversion through the parameters characterizing the magnetostrictive and piezoelectric phases have been obtained. Theoretical dependences of the inverse magnetoelectric conversion coefficient on the frequency of the alternating-current electric field for the three-layer PZT-Ni-PZT structure and the two-layer terfenol- D-PZT structure have been calculated. The results of the calculations are in good agreement with the experimental data.

Measuring the band structures of periodic beams using the wave superposition method

Science.gov (United States)

Junyi, L.; Ruffini, V.; Balint, D.

2016-11-01

Phononic crystals and elastic metamaterials are artificially engineered periodic structures that have several interesting properties, such as negative effective stiffness in certain frequency ranges. An interesting property of phononic crystals and elastic metamaterials is the presence of band gaps, which are bands of frequencies where elastic waves cannot propagate. The presence of band gaps gives this class of materials the potential to be used as vibration isolators. In many studies, the band structures were used to evaluate the band gaps. The presence of band gaps in a finite structure is commonly validated by measuring the frequency response as there are no direct methods of measuring the band structures. In this study, an experiment was conducted to determine the band structure of one dimension phononic crystals with two wave modes, such as a bi-material beam, using the frequency response at only 6 points to validate the wave superposition method (WSM) introduced in a previous study. A bi-material beam and an aluminium beam with varying geometry were studied. The experiment was performed by hanging the beams freely, exciting one end of the beams, and measuring the acceleration at consecutive unit cells. The measured transfer function of the beams agrees with the analytical solutions but minor discrepancies. The band structure was then determined using WSM and the band structure of one set of the waves was found to agree well with the analytical solutions. The measurements taken for the other set of waves, which are the evanescent waves in the bi-material beams, were inaccurate and noisy. The transfer functions at additional points of one of the beams were calculated from the measured band structure using WSM. The calculated transfer function agrees with the measured results except at the frequencies where the band structure was inaccurate. Lastly, a study of the potential sources of errors was also conducted using finite element modelling and the errors in

Photonic band edge assisted spontaneous emission enhancement from all Er3+ 1-D photonic band gap structure

Science.gov (United States)

Chiasera, A.; Meroni, C.; Varas, S.; Valligatla, S.; Scotognella, F.; Boucher, Y. G.; Lukowiak, A.; Zur, L.; Righini, G. C.; Ferrari, M.

2018-06-01

All Er3+ doped dielectric 1-D Photonic Band Gap Structure was fabricated by rf-sputtering technique. The structure was constituted by of twenty pairs of SiO2/TiO2 alternated layers doped with Er3+ ions. The scanning electron microscopy was used to check the morphology of the structure. Transmission measurements put in evidence the stop band in the range 1500 nm-1950 nm. The photoluminescence measurements were obtained by optically exciting the sample and detecting the emitted light in the 1.5 μm region at different detection angles. Luminescence spectra and luminescence decay curves put in evidence that the presence of the stop band modify the emission features of the Er3+ ions.

Mid-frequency Band Dynamics of Large Space Structures

Science.gov (United States)

Coppolino, Robert N.; Adams, Douglas S.

2004-01-01

High and low intensity dynamic environments experienced by a spacecraft during launch and on-orbit operations, respectively, induce structural loads and motions, which are difficult to reliably predict. Structural dynamics in low- and mid-frequency bands are sensitive to component interface uncertainty and non-linearity as evidenced in laboratory testing and flight operations. Analytical tools for prediction of linear system response are not necessarily adequate for reliable prediction of mid-frequency band dynamics and analysis of measured laboratory and flight data. A new MATLAB toolbox, designed to address the key challenges of mid-frequency band dynamics, is introduced in this paper. Finite-element models of major subassemblies are defined following rational frequency-wavelength guidelines. For computational efficiency, these subassemblies are described as linear, component mode models. The complete structural system model is composed of component mode subassemblies and linear or non-linear joint descriptions. Computation and display of structural dynamic responses are accomplished employing well-established, stable numerical methods, modern signal processing procedures and descriptive graphical tools. Parametric sensitivity and Monte-Carlo based system identification tools are used to reconcile models with experimental data and investigate the effects of uncertainties. Models and dynamic responses are exported for employment in applications, such as detailed structural integrity and mechanical-optical-control performance analyses.

Characterization of band structure for transverse acoustic phonons in Fibonacci superlattices by a bandedge formalism

International Nuclear Information System (INIS)

Hsueh, W J; Chen, R F; Tang, K Y

2008-01-01

We present a divergence-free method to determine the characteristics of band structures and projected band structures of transverse acoustic phonons in Fibonacci superlattices. A set of bandedge equations is formulated to solve the band structures for the phonon instead of using the traditional dispersion relation. Numerical calculations show band structures calculated by the present method for the Fibonacci superlattice without numerical instability, which may occur in traditional methods. Based on the present formalism, the band structure for the acoustic phonons has been characterized by closure points and the projected bandgaps of the forbidden bands. The projected bandgaps are determined by the projected band structure, which is characterized by the cross points of the projected bandedges. We observed that the band structure and projected band structure and their characteristics were quite different for different generation orders and the basic layers for the Fibonacci superlattice. In this study, concise rules to determine these characteristics of the band structure and the projected band structure, including the number and the location of closure points of forbidden bands and those of projected bandgaps, in Fibonacci superlattices with arbitrary generation order and basic layers are proposed.

Signature effects in 2-qp rotational bands

International Nuclear Information System (INIS)

Jain, A.K.; Goel, A.

1992-01-01

The authors briefly review the progress in understanding the 2-qp rotational bands in odd-odd nuclei. Signature effects and the phenomenon of signature inversion are discussed. The Coriolis coupling appears to have all the ingredients to explain the inversion. Some recent work on signature dependence in 2-qp bands of even-even nuclei is also discussed; interesting features are pointed out

Band structure of a three-dimensional topological insulator quantum wire in the presence of a magnetic field.

Science.gov (United States)

Liu, Zhe; Jiang, Liwei; Zheng, Yisong

2016-07-13

By means of a numerical diagonalization approach, we calculate the electronic structure of a three-dimensional topological insulator (3DTI) quantum wire (QW) in the presence of a magnetic field. The QW can be viewed as a 3DTI film with lateral surfaces, when its rectangular cross section has a large aspect ratio. Our calculation indicates that nonchiral edge states emerge because of the confined states at the lateral surfaces. These states completely cover the valence band region among the Landau levels, which reasonably account for the absence of the [Formula: see text] quantum Hall effect in the relevant experimental works. In an ultrathin 3DTI film, inversion between the electron-type and hole-type bands occurs, which leads to the so-called pseudo-spin Hall effect. In a 3DTI QW with a square cross section, a tilting magnetic field can establish well-defined Landau levels in all four surfaces. In such a case, the quantum Hall edge states are localized at the square corners, characterized by the linearly crossing one-dimensional band profile. And they can be shifted between the adjacent corners by simply rotating the magnetic field.

EELS study of the inverse martensitic transformation of 2H and 18R Cu-Al-Zn alloys

International Nuclear Information System (INIS)

Espinosa-Magana, F.; Ochoa-Lara, M.T.; Lovey, F.; Flores-Zuniga, H.; Rios-Jara, D.

2010-01-01

Changes in 3d states occupancy associated with the inverse martensitic transformation in two samples of Cu-Al-Zn alloys with 2H and 18R martensitic structures were investigated by electron energy loss spectroscopy (EELS). The Cu L 2,3 white-lines intensities, which reflect the unoccupied density of states in 3d bands, were measured in situ, during the phase transformation in both the martensite and austenite phases. We find that the white-lines intensity decreases during the inverse transformation, when going from martensite to austenite. Even though the initial 3d occupation numbers in 2H and 18R martensitic structures are different, after the transformation, the 3d occupation numbers in the now austenitic structure have decreased in both samples, indicating that some electrons left Cu 3d bands during phase transformation. Interestingly enough, the occupation numbers in the final phases, which have the same structure, reach the same value, indicating that changes in EELS spectra are a consequence of structural changes.

EELS study of the inverse martensitic transformation of 2H and 18R Cu-Al-Zn alloys

Energy Technology Data Exchange (ETDEWEB)

Espinosa-Magana, F., E-mail: francisco.espinosa@cimav.edu.m [Centro de Investigacion en Materiales Avanzados, S.C., Laboratorio Nacional de Nanotecnologia, Miguel de Cervantes 120, Complejo Industrial Chihuahua, Chihuahua, Chih. 31109 (Mexico); Ochoa-Lara, M.T. [Centro de Investigacion en Materiales Avanzados, S.C., Laboratorio Nacional de Nanotecnologia, Miguel de Cervantes 120, Complejo Industrial Chihuahua, Chihuahua, Chih. 31109 (Mexico); Lovey, F. [Centro Atomico Bariloche, 8300 S.C. de Bariloche (Argentina); Flores-Zuniga, H. [Universidad Autonoma de Zacatecaa, Av. Lopez Velarde 801, Zacatecas, Zac. 98060 (Mexico); Rios-Jara, D. [Instituto Potosino de Investigacion Cientifica y Tecnologica, Camino a la Presa San Jose 2055, San luis Potosi, S.L.P. 78126 (Mexico)

2010-01-01

Changes in 3d states occupancy associated with the inverse martensitic transformation in two samples of Cu-Al-Zn alloys with 2H and 18R martensitic structures were investigated by electron energy loss spectroscopy (EELS). The Cu L{sub 2,3} white-lines intensities, which reflect the unoccupied density of states in 3d bands, were measured in situ, during the phase transformation in both the martensite and austenite phases. We find that the white-lines intensity decreases during the inverse transformation, when going from martensite to austenite. Even though the initial 3d occupation numbers in 2H and 18R martensitic structures are different, after the transformation, the 3d occupation numbers in the now austenitic structure have decreased in both samples, indicating that some electrons left Cu 3d bands during phase transformation. Interestingly enough, the occupation numbers in the final phases, which have the same structure, reach the same value, indicating that changes in EELS spectra are a consequence of structural changes.

Polarization-dependent diffraction in all-dielectric, twisted-band structures

Energy Technology Data Exchange (ETDEWEB)

Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr, E-mail: pwasylcz@fuw.edu.pl [Photonic Nanostructure Facility, Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warszawa (Poland)

2015-11-23

We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.

Phononic Band Gaps in 2D Quadratic and 3D Cubic Cellular Structures.

Science.gov (United States)

Warmuth, Franziska; Körner, Carolin

2015-12-02

The static and dynamic mechanical behaviour of cellular materials can be designed by the architecture of the underlying unit cell. In this paper, the phononic band structure of 2D and 3D cellular structures is investigated. It is shown how the geometry of the unit cell influences the band structure and eventually leads to full band gaps. The mechanism leading to full band gaps is elucidated. Based on this knowledge, a 3D cellular structure with a broad full band gap is identified. Furthermore, the dependence of the width of the gap on the geometry parameters of the unit cell is presented.

Evanescent waves and deaf bands in sonic crystals

Science.gov (United States)

Romero-García, V.; Garcia-Raffi, L. M.; Sánchez-Pérez, J. V.

2011-12-01

The properties of sonic crystals (SC) are theoretically investigated in this work by solving the inverse problem k(ω) using the extended plane wave expansion (EPWE). The solution of the resulting eigenvalue problem gives the complex band structure which takes into account both the propagating and the evanescent modes. In this work we show the complete mathematical formulation of the EPWE for SC and the supercell approximation for its use in both a complete SC and a SC with defects. As an example we show a novel interpretation of the deaf bands in a complete SC in good agreement with multiple scattering simulations.

Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions.

Science.gov (United States)

Dixit, H; Lamoen, D; Partoens, B

2013-01-23

CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass.

Quantum Effects in Inverse Opal Structures

Science.gov (United States)

Bleiweiss, Michael; Datta, Timir; Lungu, Anca; Yin, Ming; Iqbal, Zafar; Palm, Eric; Brandt, Bruce

2002-03-01

Properties of bismuth inverse opals and carbon opal replicas were studied. The bismuth nanostructures were fabricated by pressure infiltration into porous artificial opal, while the carbon opal replicas were created via CVD. These structures form a regular three-dimensional network in which the bismuth and carbon regions percolate in all directions between the close packed spheres of SiO_2. The sizes of the conducting regions are of the order of tens of nanometers. Static susceptibility of the bismuth inverse opal showed clear deHaas-vanAlphen oscillations. Transport measurements, including Hall, were done using standard ac four and six probe techniques in fields up to 17 T* and temperatures between 4.2 and 200 K. Observations of Shubnikov-deHaas oscillations in magnetoresistance, one-dimensional weak localization, quantum Hall and other effects will be discussed. *Performed at the National High Magnetic Field Lab (NHMFL) FSU, Tallahassee, FL. This work was partially supported by grants from DARPA-nanothermoelectrics, NASA-EPSCOR and the USC nanocenter.

Systematic design of phononic band-gap materials and structures by topology optimization

DEFF Research Database (Denmark)

Sigmund, Ole; Jensen, Jakob Søndergaard

2003-01-01

Phononic band-gap materials prevent elastic waves in certain frequency ranges from propagating, and they may therefore be used to generate frequency filters, as beam splitters, as sound or vibration protection devices, or as waveguides. In this work we show how topology optimization can be used...... to design and optimize periodic materials and structures exhibiting phononic band gaps. Firstly, we optimize infinitely periodic band-gap materials by maximizing the relative size of the band gaps. Then, finite structures subjected to periodic loading are optimized in order to either minimize the structural...

Odd-even staggering in the πg9/2νg9/2 band in 72Br

International Nuclear Information System (INIS)

Fotiades, N.; Cizewski, J.A.; Lister, C.J.; Davids, C.N.; Janssens, R.V.; Seweryniak, D.; Carpenter, M.P.; Khoo, T.L.; Lauritsen, T.; Nisius, D.; Reiter, P.; Uusitalo, J.; Wiedenhover, I.; Macchiavelli, A.O.; MacLeod, R.W.

1999-01-01

High-spin positive-parity states in 72 Br have been studied using the 16 O+ 58 Ni reaction. The πg 9/2 νg 9/2 decoupled band in 72 Br has been observed up to ∼10 MeV excitation energy and the expected odd-even staggering has been delineated. A larger signature splitting is observed for this band in 72 Br than in the same collective structures in the heavier 74,76,78 Br. No signature inversion at low spin is observed for this band in 72 Br, in contrast to the heavier isotopes, 74,76,78 Br, in which signature inversion is observed below ∼10ℎ. The observations are in general agreement with theoretical models in this mass region which predict no signature inversion for nuclei with less than 39 protons and neutrons. copyright 1999 The American Physical Society

Deformed configurations, band structures and spectroscopic ...

Indian Academy of Sciences (India)

2014-03-20

Mar 20, 2014 ... The deformed configurations and rotational band structures in =50 Ge and Se nuclei are studied by deformed Hartree–Fock with quadrupole constraint and angular momentum projection. Apart from the `almost' spherical HF solution, a well-deformed configuration occurs at low excitation. A deformed ...

Buried Man-made Structure Imaging using 2-D Resistivity Inversion

Science.gov (United States)

Anderson Bery, Andy; Nordiana, M. M.; El Hidayah Ismail, Noer; Jinmin, M.; Nur Amalina, M. K. A.

2018-04-01

This study is carried out with the objective to determine the suitable resistivity inversion method for buried man-made structure (bunker). This study was carried out with two stages. The first stage is suitable array determination using 2-D computerized modeling method. One suitable array is used for the infield resistivity survey to determine the dimension and location of the target. The 2-D resistivity inversion results showed that robust inversion method is suitable to resolve the top and bottom part of the buried bunker as target. In addition, the dimension of the buried bunker is successfully determined with height of 7 m and length of 20 m. The location of this target is located at -10 m until 10 m of the infield resistivity survey line. The 2-D resistivity inversion results obtained in this study showed that the parameters selection is important in order to give the optimum results. These parameters are array type, survey geometry and inversion method used in data processing.

Surface band structures on Nb(001)

International Nuclear Information System (INIS)

Fang, B.; Lo, W.; Chien, T.; Leung, T.C.; Lue, C.Y.; Chan, C.T.; Ho, K.M.

1994-01-01

We report the joint studies of experimental and theoretical surface band structures of Nb(001). Angle-resolved photoelectron spectroscopy was used to determine surface-state dispersions along three high-symmetry axes bar Γ bar M, bar Γ bar X, and bar M bar X in the surface Brillouin zone. Ten surface bands have been identified. The experimental data are compared to self-consistent pseudopotential calculations for the 11-layer Nb(001) slabs that are either bulk terminated or fully relaxed (with a 12% contraction for the first interlayer spacing). The band calculations for a 12% surface-contracted slab are in better agreement with the experimental results than those for a bulk-terminated slab, except for a surface resonance near the Fermi level, which is related to the spin-orbit interaction. The charge profiles for all surface states or resonances have been calculated. Surface contraction effects on the charge-density distribution and the energy position of surface states and resonances will also be discussed

Inverse boundary element calculations based on structural modes

DEFF Research Database (Denmark)

Juhl, Peter Møller

2007-01-01

The inverse problem of calculating the flexural velocity of a radiating structure of a general shape from measurements in the field is often solved by combining a Boundary Element Method with the Singular Value Decomposition and a regularization technique. In their standard form these methods sol...

Polarimetric and Structural Properties of a Boreal Forest at P-Band and L-Band

Science.gov (United States)

Tebaldini, S.; Rocca, F.

2010-12-01

With this paper we investigate the structural and polarimetric of the boreal forest within the Krycklan river catchment, Northern Sweden, basing on multi-polarimetric and multi-baseline SAR surveys at P-Band and L-Band collected in the framework of the ESA campaign BioSAR 2008. The analysis has been carried out by applying the Algebraic Synthesis (AS) technique, recently introduced in literature, which provides a theoretical framework for the decomposition of the backscattered signal into ground-only and volume-only contributions, basing on both baseline and polarization diversity. The availability of multiple baselines allows the formation of a synthetic aperture not only along the azimuth direction but also in elevation. Accordingly, the backscattered echoes can be focused not only in the slant range, azimuth plane, but in the whole 3D space. This is the rationale of the SAR Tomography (T-SAR) concept, which has been widely considered in the literature of the last years. It follows that, as long as the penetration in the scattering volume is guaranteed, the vertical profile of the vegetation layer is retrieved by separating backscatter contributions along the vertical direction, which is the main reason for the exploitation of Tomographic techniques at longer wavelengths. Still, the capabilities of T-SAR are limited to imaging the global vertical structure of the electromagnetic scattering in a certain polarization. It then becomes important to develop methodologies for the investigation of the vertical structure of different Scattering Mechanisms (SMs), such as ground and volume scattering, in such a way as to derive information that can be delivered also outside the field of Radar processing. This is an issue that may become relevant at longer wavelengths, such as P-Band, where the presence of multiple scattering arising from the interaction with terrain could hinder the correct reconstruction of the forest structure. The availability of multiple polarizations

Complete flexural vibration band gaps in membrane-like lattice structures

International Nuclear Information System (INIS)

Yu Dianlong; Liu Yaozong; Qiu Jing; Wang Gang; Zhao Honggang

2006-01-01

The propagation of flexural vibration in the periodical membrane-like lattice structure is studied. The band structure calculated with the plane wave expansion method indicates the existence of complete gaps. The frequency response function of a finite periodic structure is simulated with finite element method. Frequency ranges with vibration attenuation are in good agreement with the gaps found in the band structure. Much larger attenuations are found in the complete gaps comparing to those directional ones. The existence of complete flexural vibration gaps in such a lattice structure provides a new idea for vibration control of thin plates

Band structure of an electron in a kind of periodic potentials with singularities

Science.gov (United States)

Hai, Kuo; Yu, Ning; Jia, Jiangping

2018-06-01

Noninteracting electrons in some crystals may experience periodic potentials with singularities and the governing Schrödinger equation cannot be defined at the singular points. The band structure of a single electron in such a one-dimensional crystal has been calculated by using an equivalent integral form of the Schrödinger equation. Both the perturbed and exact solutions are constructed respectively for the cases of a general singular weak-periodic system and its an exactly solvable version, Kronig-Penney model. Any one of them leads to a special band structure of the energy-dependent parameter, which results in an effective correction to the previous energy-band structure and gives a new explanation for forming the band structure. The used method and obtained results could be a valuable aid in the study of energy bands in solid-state physics, and the new explanation may trigger investigation to different physical mechanism of electron band structures.

Compact electromagnetic bandgap structures for notch band in ultra-wideband applications.

Science.gov (United States)

Rotaru, Mihai; Sykulski, Jan

2010-01-01

This paper introduces a novel approach to create notch band filters in the front-end of ultra-wideband (UWB) communication systems based on electromagnetic bandgap (EBG) structures. The concept presented here can be implemented in any structure that has a microstrip in its configuration. The EBG structure is first analyzed using a full wave electromagnetic solver and then optimized to work at WLAN band (5.15-5.825 GHz). Two UWB passband filters are used to demonstrate the applicability and effectiveness of the novel EBG notch band feature. Simulation results are provided for two cases studied.

Tunable band structures of polycrystalline graphene by external and mismatch strains

Institute of Scientific and Technical Information of China (English)

Jiang-Tao Wu; Xing-Hua Shi; Yu-Jie Wei

2012-01-01

Lacking a band gap largely limits the application of graphene in electronic devices.Previous study shows that grain boundaries (GBs) in polycrystalline graphene can dramatically alter the electrical properties of graphene.Here,we investigate the band structure of polycrystalline graphene tuned by externally imposed strains and intrinsic mismatch strains at the GB by density functional theory (DFT) calculations.We found that graphene with symmetrical GBs typically has zero band gap even with large uniaxial and biaxial strain.However,some particular asymmetrical GBs can open a band gap in graphene and their band structures can be substantially tuned by external strains.A maximum band gap about 0.19 eV was observed in matched-armchair GB (5,5) | (3,7) with a misorientation of θ =13° when the applied uniaxial strain increases to 9％.Although mismatch strain is inevitable in asymmetrical GBs,it has a small influence on the band gap of polycrystalline graphene.

Multi-cavity locally resonant structure with the low frequency and broad band-gaps

Directory of Open Access Journals (Sweden)

Jiulong Jiang

2016-11-01

Full Text Available A multi-cavity periodic structure with the characteristic of local resonance was proposed in the paper. The low frequency band-gap structure was comparatively analyzed by the finite element method (FEM and electric circuit analogy (ECA. Low frequency band-gap can be opened through the dual influence of the coupling’s resonance in the cavity and the interaction among the couplings between structures. Finally, the influence of the structural factors on the band-gap was analyzed. The results show that the structure, which is divided into three parts equally, has a broader effective band-gap below the frequency of 200 Hz. It is also proved that reducing the interval between unit structures can increase the intensity of the couplings among the structures. And in this way, the width of band-gap would be expanded significantly. Through the parameters adjustment, the structure enjoys a satisfied sound insulation effect below the frequency of 500Hz. In the area of low frequency noise reduction, the structure has a lot of potential applications.

Sulfur cathodes with hydrogen reduced titanium dioxide inverse opal structure.

Science.gov (United States)

Liang, Zheng; Zheng, Guangyuan; Li, Weiyang; Seh, Zhi Wei; Yao, Hongbin; Yan, Kai; Kong, Desheng; Cui, Yi

2014-05-27

Sulfur is a cathode material for lithium-ion batteries with a high specific capacity of 1675 mAh/g. The rapid capacity fading, however, presents a significant challenge for the practical application of sulfur cathodes. Two major approaches that have been developed to improve the sulfur cathode performance include (a) fabricating nanostructured conductive matrix to physically encapsulate sulfur and (b) engineering chemical modification to enhance binding with polysulfides and, thus, to reduce their dissolution. Here, we report a three-dimensional (3D) electrode structure to achieve both sulfur physical encapsulation and polysulfides binding simultaneously. The electrode is based on hydrogen reduced TiO2 with an inverse opal structure that is highly conductive and robust toward electrochemical cycling. The relatively enclosed 3D structure provides an ideal architecture for sulfur and polysulfides confinement. The openings at the top surface allow sulfur infusion into the inverse opal structure. In addition, chemical tuning of the TiO2 composition through hydrogen reduction was shown to enhance the specific capacity and cyclability of the cathode. With such TiO2 encapsulated sulfur structure, the sulfur cathode could deliver a high specific capacity of ∼1100 mAh/g in the beginning, with a reversible capacity of ∼890 mAh/g after 200 cycles of charge/discharge at a C/5 rate. The Coulombic efficiency was also maintained at around 99.5% during cycling. The results showed that inverse opal structure of hydrogen reduced TiO2 represents an effective strategy in improving lithium sulfur batteries performance.

Two-dimensional properties of n-inversion layers in InSb grain boundaries under high hydrostatic pressure

International Nuclear Information System (INIS)

Kraak, W.; Herrmann, R.; Nachtwei, G.

1985-01-01

Magnetotransport properties of n-inversion layers in grain boundaries of p-InSb bicrystals are investigated under high hydrostatic pressure up to 10 3 MPa. A rapid decrease of the carrier concentration in the inversion layer is observed when hydrostatic pressure is applied. A simple model taking into account the pressure dependence of the energy band structure of pure InSb is proposed to describe this behaviour. (author)

Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

International Nuclear Information System (INIS)

Kozyukhin, S.; Golovchak, R.; Kovalskiy, A.; Shpotyuk, O.; Jain, H.

2011-01-01

High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As x Se 100−x , As x S 100−x , Ge x Se 100−x and Ge x S 100−x chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

Energy Technology Data Exchange (ETDEWEB)

Kozyukhin, S., E-mail: sergkoz@igic.ras.ru [Russian Academy of Science, Institute of General and Inorganic Chemistry (Russian Federation); Golovchak, R. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Kovalskiy, A. [Lehigh University, Department of Materials Science and Engineering (United States); Shpotyuk, O. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Jain, H. [Lehigh University, Department of Materials Science and Engineering (United States)

2011-04-15

High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As{sub x}Se{sub 100-x}, As{sub x}S{sub 100-x}, Ge{sub x}Se{sub 100-x} and Ge{sub x}S{sub 100-x} chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

Evanescent waves and deaf bands in sonic crystals

Directory of Open Access Journals (Sweden)

V. Romero-García

2011-12-01

Full Text Available The properties of sonic crystals (SC are theoretically investigated in this work by solving the inverse problem k(ω using the extended plane wave expansion (EPWE. The solution of the resulting eigenvalue problem gives the complex band structure which takes into account both the propagating and the evanescent modes. In this work we show the complete mathematical formulation of the EPWE for SC and the supercell approximation for its use in both a complete SC and a SC with defects. As an example we show a novel interpretation of the deaf bands in a complete SC in good agreement with multiple scattering simulations.

Shell model description of band structure in 48Cr

International Nuclear Information System (INIS)

Vargas, Carlos E.; Velazquez, Victor M.

2007-01-01

The band structure for normal and abnormal parity bands in 48Cr are described using the m-scheme shell model. In addition to full fp-shell, two particles in the 1d3/2 orbital are allowed in order to describe intruder states. The interaction includes fp-, sd- and mixed matrix elements

Inverse load calculation procedure for offshore wind turbines and application to a 5-MW wind turbine support structure: Inverse load calculation procedure for offshore wind turbines

Energy Technology Data Exchange (ETDEWEB)

Pahn, T. [Pahn Ingenieure, Am Seegraben 17b 03051 Cottbus Germany; Rolfes, R. [Institut f?r Statik und Dynamik, Leibniz Universit?t Hannover, Appelstra?e 9A 30167 Hannover Germany; Jonkman, J. [National Renewable Energy Laboratory, 15013 Denver West Parkway Golden Colorado 80401 USA

2017-02-20

A significant number of wind turbines installed today have reached their designed service life of 20 years, and the number will rise continuously. Most of these turbines promise a more economical performance if they operate for more than 20 years. To assess a continued operation, we have to analyze the load-bearing capacity of the support structure with respect to site-specific conditions. Such an analysis requires the comparison of the loads used for the design of the support structure with the actual loads experienced. This publication presents the application of a so-called inverse load calculation to a 5-MW wind turbine support structure. The inverse load calculation determines external loads derived from a mechanical description of the support structure and from measured structural responses. Using numerical simulations with the software fast, we investigated the influence of wind-turbine-specific effects such as the wind turbine control or the dynamic interaction between the loads and the support structure to the presented inverse load calculation procedure. fast is used to study the inverse calculation of simultaneously acting wind and wave loads, which has not been carried out until now. Furthermore, the application of the inverse load calculation procedure to a real 5-MW wind turbine support structure is demonstrated. In terms of this practical application, setting up the mechanical system for the support structure using measurement data is discussed. The paper presents results for defined load cases and assesses the accuracy of the inversely derived dynamic loads for both the simulations and the practical application.

Ordered macroporous platinum electrode and enhanced mass transfer in fuel cells using inverse opal structure.

Science.gov (United States)

Kim, Ok-Hee; Cho, Yong-Hun; Kang, Soon Hyung; Park, Hee-Young; Kim, Minhyoung; Lim, Ju Wan; Chung, Dong Young; Lee, Myeong Jae; Choe, Heeman; Sung, Yung-Eun

2013-01-01

Three-dimensional, ordered macroporous materials such as inverse opal structures are attractive materials for various applications in electrochemical devices because of the benefits derived from their periodic structures: relatively large surface areas, large voidage, low tortuosity and interconnected macropores. However, a direct application of an inverse opal structure in membrane electrode assemblies has been considered impractical because of the limitations in fabrication routes including an unsuitable substrate. Here we report the demonstration of a single cell that maintains an inverse opal structure entirely within a membrane electrode assembly. Compared with the conventional catalyst slurry, an ink-based assembly, this modified assembly has a robust and integrated configuration of catalyst layers; therefore, the loss of catalyst particles can be minimized. Furthermore, the inverse-opal-structure electrode maintains an effective porosity, an enhanced performance, as well as an improved mass transfer and more effective water management, owing to its morphological advantages.

Magnetic topology of Co-based inverse opal-like structures

NARCIS (Netherlands)

Grigoryeva, N.A.; Mistonov, A.A.; Napolskii, K.S.; Sapoletova, N.A.; Eliseev, A.A.; Bouwman, W.; Byelov, D.; Petukhov, A.V.; Chernyshov, D.Y.; Eckerlebe, H.; Vasilieva, A.V.; Grigoriev, S.V.

2011-01-01

Themagnetic and structural properties of a cobalt inverse opal-like crystal have been studied by a combination of complementary techniques ranging from polarized neutron scattering and superconducting quantum interference device (SQUID) magnetometry to x-ray diffraction. Microradian small-angle

Enhancement of phononic band gaps in ternary/binary structure

International Nuclear Information System (INIS)

Aly, Arafa H.; Mehaney, Ahmed

2012-01-01

Based on the transfer matrix method (TMM) and Bloch theory, the interaction of elastic waves (normal incidence) with 1D phononic crystal had been studied. The transfer matrix method was obtained for both longitudinal and transverse waves by applying the continuity conditions between the consecutive unit cells. Dispersion relations are calculated and plotted for both binary and ternary structures. Also we have investigated the corresponding effects on the band gaps values for the two types of phononic crystals. Furthermore, it can be observed that the complete band gaps are located in the common frequency stop-band regions. Numerical simulations are performed to investigate the effect of different thickness ratios inside each unit cell on the band gap values, as well as unit cells thickness on the central band gap frequency. These phononic band gap materials can be used as a filter for elastic waves at different frequencies values.

Changing optical band structure with single photons

Science.gov (United States)

Albrecht, Andreas; Caneva, Tommaso; Chang, Darrick E.

2017-11-01

Achieving strong interactions between individual photons enables a wide variety of exciting possibilities in quantum information science and many-body physics. Cold atoms interfaced with nanophotonic structures have emerged as a platform to realize novel forms of nonlinear interactions. In particular, when atoms are coupled to a photonic crystal waveguide, long-range atomic interactions can arise that are mediated by localized atom-photon bound states. We theoretically show that in such a system, the absorption of a single photon can change the band structure for a subsequent photon. This occurs because the first photon affects the atoms in the chain in an alternating fashion, thus leading to an effective period doubling of the system and a new optical band structure for the composite atom-nanophotonic system. We demonstrate how this mechanism can be engineered to realize a single-photon switch, where the first incoming photon switches the system from being highly transmissive to highly reflective, and analyze how signatures can be observed via non-classical correlations of the outgoing photon field.

Magnetic topology of Co-based inverse opal-like structures

NARCIS (Netherlands)

Grigoryeva, N.A.; Mistonov, A.A.; Napolskii, K.S.; Sapoletova, N.A.; Eliseev, A.A.; Bouwman, W.G.; Byelov, D.V.; Petukhov, A.V.; Chernyshov, D.Y.; Eckerlebe, H.; Vasilieva, A.V.; Grigoriev, S.V.

2011-01-01

The magnetic and structural properties of a cobalt inverse opal-like crystal have been studied by a combination of complementary techniques ranging from polarized neutron scattering and superconducting quantum interference device (SQUID) magnetometry to x-ray diffraction. Microradian small-angle

Microwave properties of Ni-based ferromagnetic inverse opals

Science.gov (United States)

Kostylev, M.; Stashkevich, A. A.; Roussigné, Y.; Grigoryeva, N. A.; Mistonov, A. A.; Menzel, D.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Lukashin, A. V.; Grigoriev, S. V.; Samarin, S. N.

2012-11-01

Investigations of microwave properties of Ni-based inverse ferromagnetic opal-like film with the [111] axis of the fcc structure along the normal direction to the film have been carried out in the 2-18 GHz frequency band. We observed multiple spin wave resonances for the magnetic field applied perpendicular to the film, i.e., along the [111] axis of this artificial crystal. For the field applied in the film plane, a broad band of microwave absorption is observed, which does not contain a fine structure. The field ranges of the responses observed are quite different for these two magnetization directions. This suggests a collective magnetic ground state or shape anisotropy and collective microwave dynamics for this foam-like material. This result is in agreement with SQUID measurements of hysteresis loops for the material. Two different models for this collective behavior are suggested that satisfactorily explain the major experimental results.

Band Gap Properties of Magnetoelectroelastic Grid Structures with Initial Stress

International Nuclear Information System (INIS)

Wang Yi-Ze; Li Feng-Ming

2012-01-01

The propagation of elastic waves in magnetoelectroelastic grid structures is studied. Band gap properties are presented and the effects of the magnetoelectroelastic coupling and initial stress are considered. Numerical calculations are performed using the plane-wave expansion method. The results show that the band gap width can be tuned by the initial stress. It is hoped that our results will be helpful for designing acoustic filters with magnetoelectroelastic materials and grid structures

High-order harmonic generation from a two-dimensional band structure

Science.gov (United States)

Jin, Jian-Zhao; Xiao, Xiang-Ru; Liang, Hao; Wang, Mu-Xue; Chen, Si-Ge; Gong, Qihuang; Peng, Liang-You

2018-04-01

In the past few years, harmonic generation in solids has attracted tremendous attention. Recently, some experiments of two-dimensional (2D) monolayer or few-layer materials have been carried out. These studies demonstrated that harmonic generation in the 2D case shows a strong dependence on the laser's orientation and ellipticity, which calls for a quantitative theoretical interpretation. In this work, we carry out a systematic study on the harmonic generation from a 2D band structure based on a numerical solution to the time-dependent Schrödinger equation. By comparing with the 1D case, we find that the generation dynamics can have a significant difference due to the existence of many crossing points in the 2D band structure. In particular, the higher conduction bands can be excited step by step via these crossing points and the total contribution of the harmonic is given by the mixing of transitions between different clusters of conduction bands to the valence band. We also present the orientation dependence of the harmonic yield on the laser polarization direction.

Electronic Structure of the Kitaev Material α-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopies

Science.gov (United States)

Sinn, Soobin; Kim, Choong Hyun; Kim, Beom Hyun; Lee, Kyung Dong; Won, Choong Jae; Oh, Ji Seop; Han, Moonsup; Chang, Young Jun; Hur, Namjung; Sato, Hitoshi; Park, Byeong-Gyu; Kim, Changyoung; Kim, Hyeong-Do; Noh, Tae Won

2016-12-01

Recently, α-RuCl3 has attracted much attention as a possible material to realize the honeycomb Kitaev model of a quantum-spin-liquid state. Although the magnetic properties of α-RuCl3 have been extensively studied, its electronic structure, which is strongly related to its Kitaev physics, is poorly understood. Here, the electronic structure of α-RuCl3 was investigated by photoemission (PE) and inverse-photoemission (IPE) spectroscopies. The band gap was directly measured from the PE and IPE spectra and was found to be 1.9 eV, much larger than previously estimated values. Local density approximation (LDA) calculations showed that the on-site Coulomb interaction U could open the band gap without spin-orbit coupling (SOC). However, the SOC should also be incorporated to reproduce the proper gap size, indicating that the interplay between U and SOC plays an essential role. Several features of the PE and IPE spectra could not be explained by the results of LDA calculations. To explain such discrepancies, we performed configuration-interaction calculations for a RuCl63- cluster. The experimental data and calculations demonstrated that the 4d compound α-RuCl3 is a Jeff = 1/2 Mott insulator rather than a quasimolecular-orbital insulator. Our study also provides important physical parameters required for verifying the proposed Kitaev physics in α-RuCl3.

Energy band structure tailoring of vertically aligned InAs/GaAsSb quantum dot structure for intermediate-band solar cell application by thermal annealing process.

Science.gov (United States)

Liu, Wei-Sheng; Chu, Ting-Fu; Huang, Tien-Hao

2014-12-15

This study presents an band-alignment tailoring of a vertically aligned InAs/GaAs(Sb) quantum dot (QD) structure and the extension of the carrier lifetime therein by rapid thermal annealing (RTA). Arrhenius analysis indicates a larger activation energy and thermal stability that results from the suppression of In-Ga intermixing and preservation of the QD heterostructure in an annealed vertically aligned InAs/GaAsSb QD structure. Power-dependent and time-resolved photoluminescence were utilized to demonstrate the extended carrier lifetime from 4.7 to 9.4 ns and elucidate the mechanisms of the antimony aggregation resulting in a band-alignment tailoring from straddling to staggered gap after the RTA process. The significant extension in the carrier lifetime of the columnar InAs/GaAsSb dot structure make the great potential in improving QD intermediate-band solar cell application.

Band Structure and Quantum Confined Stark Effect in InN/GaN superlattices

DEFF Research Database (Denmark)

Gorczyca, I.; Suski, T.; Christensen, Niels Egede

2012-01-01

InN/GaN superlattices offer an important way of band gap engineering in the blue-green range of the spectrum. This approach represents a more controlled method than the band gap tuning in quantum well systems by application of InGaN alloys. The electronic structures of short-period wurtzite InN/G...... wells and barriers one may tune band gaps over a wide spectral range, which provides flexibility in band gap engineering.......InN/GaN superlattices offer an important way of band gap engineering in the blue-green range of the spectrum. This approach represents a more controlled method than the band gap tuning in quantum well systems by application of InGaN alloys. The electronic structures of short-period wurtzite In......N/GaN(0001) superlattices are investigated, and the variation of the band gap with the thicknesses of the well and the barrier is discussed. Superlattices of the form mInN/nGaN with n ≥ m are simulated using band structure calculations in the Local Density Approximation with a semiempirical correction...

Structural inversion in the northern South China Sea continental margin and its tectonic implications

Directory of Open Access Journals (Sweden)

Chin-Da Huang

2017-01-01

Full Text Available The northern South China Sea (SCS continental margin was proposed to be an active margin during the Mesozoic. However, only a few papers discussed the Mesozoic structural evolution in this region. Here, we provide information based on the seismic profile interpretations with age control from biostratigraphic studies and detrital zircon U-Pb dates of well MZ-1-1 in the western Dongsha-Penghu Uplift of the northern SCS continental margin. The industrial seismic profiles reveal evidence for structural inversion as represented by folds and high-angle reverse faults, formed by reactivation of pre-existing normal faults. The inversion event likely started after the Early Cretaceous, and developed in Late Cretaceous, but ceased before the Cenozoic. The areal extent of the structural inversion was restricted in the western Dongsha-Penghu Uplift and was approximately 100 km in width. Based on the paleogeographic reconstruction of SCS, the structural inversion was likely formed by a collision between the seamount (volcanic islands swarm of the current North Palawan block (mainly the Calamian Islands and the northern SCS continental margin around Late Cretaceous.

Emission bands of phosphorus and calculation of band structure of rare earth phosphides

International Nuclear Information System (INIS)

Al'perovich, G.I.; Gusatinskij, A.N.; Geguzin, I.I.; Blokhin, M.A.; Torbov, V.I.; Chukalin, V.I.; AN SSSR, Moscow. Inst. Novykh Khimicheskikh Problem)

1977-01-01

The method of x-ray emission spectroscopy has been used to investigate the electronic structure of monophosphides of rare-earth metals (REM). The fluorescence K bands of phosphorus have been obtained in LaP, PrP, SmP, GdP, TbP, DyP, HoP, ErP, TmP, YbP, and LuP and also the Lsub(2,3) bands of phosphorus in ErP, TmP, YbP, and LuP. Using the Green function technique involving the muffin-tin potential, the energy spectrum for ErP has been calculated in the single-electron approximation. The hystogram of electronic state distribution N(E) is compared with the experimental K and Lsub(2,3) bands of phosphorus in ErP. The agreement between the main details of N(E) and that of x-ray spectra allows to state that the model used provides a good description of the electron density distribution in crystals of REM monophosphides. In accordance with the character of the N(E) distribution the compounds under study are classified as semimetals or semiconductors with a very narrow forbidden band

Band structure of Mgsub(x)Znsub(1-x)Te alloys

International Nuclear Information System (INIS)

Laugier, A.; Montegu, B.; Barbier, D.; Chevallier, J.; Guillaume, J.C.; Somogyi, K.

1980-01-01

The band structure of Mgsub(x)Znsub(1-x)Te alloys is studied using a double beam wavelength modulated system in first derivative mode. Modulated reflectivity measurements are made from 82 to 300 K within spectral range 2500 to 5400 A. Structures corresponding to the E 0 , E 0 + Δ 0 , E 1 , E 1 + Δ 1 , e 1 and e 1 + Δ 1 critical points are indexed on the basis of existing band calculations for ZnTe. (author)

Band structures and localization properties of aperiodic layered phononic crystals

Energy Technology Data Exchange (ETDEWEB)

Yan Zhizhong, E-mail: zzyan@bit.edu.cn [Department of Applied Mathematics, Beijing Institute of Technology, Beijing 100081 (China); Zhang Chuanzeng [Department of Civil Engineering, University of Siegen, D-57078 Siegen (Germany)

2012-03-15

The band structures and localization properties of in-plane elastic waves with coupling of longitudinal and transverse modes oblique propagating in aperiodic phononic crystals based on Thue-Morse and Rudin-Shapiro sequences are studied. Using transfer matrix method, the concept of the localization factor is introduced and the correctness is testified through the Rytov dispersion relation. For comparison, the perfect periodic structure and the quasi-periodic Fibonacci system are also considered. In addition, the influences of the random disorder, local resonance, translational and/or mirror symmetries on the band structures of the aperiodic phononic crystals are analyzed in this paper.

A key heterogeneous structure of fractal networks based on inverse renormalization scheme

Science.gov (United States)

Bai, Yanan; Huang, Ning; Sun, Lina

2018-06-01

Self-similarity property of complex networks was found by the application of renormalization group theory. Based on this theory, network topologies can be classified into universality classes in the space of configurations. In return, through inverse renormalization scheme, a given primitive structure can grow into a pure fractal network, then adding different types of shortcuts, it exhibits different characteristics of complex networks. However, the effect of primitive structure on networks structural property has received less attention. In this paper, we introduce a degree variance index to measure the dispersion of nodes degree in the primitive structure, and investigate the effect of the primitive structure on network structural property quantified by network efficiency. Numerical simulations and theoretical analysis show a primitive structure is a key heterogeneous structure of generated networks based on inverse renormalization scheme, whether or not adding shortcuts, and the network efficiency is positively correlated with degree variance of the primitive structure.

Efficient realization of 3D joint inversion of seismic and magnetotelluric data with cross gradient structure constraint

Science.gov (United States)

Luo, H.; Zhang, H.; Gao, J.

2016-12-01

Seismic and magnetotelluric (MT) imaging methods are generally used to characterize subsurface structures at various scales. The two methods are complementary to each other and the integration of them is helpful for more reliably determining the resistivity and velocity models of the target region. Because of the difficulty in finding empirical relationship between resistivity and velocity parameters, Gallardo and Meju [2003] proposed a joint inversion method enforcing resistivity and velocity models consistent in structure, which is realized by minimizing cross gradients between two models. However, it is extremely challenging to combine two different inversion systems together along with the cross gradient constraints. For this reason, Gallardo [2007] proposed a joint inversion scheme that decouples the seismic and MT inversion systems by iteratively performing seismic and MT inversions as well as cross gradient minimization separately. This scheme avoids the complexity of combining two different systems together but it suffers the issue of balancing between data fitting and structure constraint. In this study, we have developed a new joint inversion scheme that avoids the problem encountered by the scheme of Gallardo [2007]. In the new scheme, seismic and MT inversions are still separately performed but the cross gradient minimization is also constrained by model perturbations from separate inversions. In this way, the new scheme still avoids the complexity of combining two different systems together and at the same time the balance between data fitting and structure consistency constraint can be enforced. We have tested our joint inversion algorithm for both 2D and 3D cases. Synthetic tests show that joint inversion better reconstructed the velocity and resistivity models than separate inversions. Compared to separate inversions, joint inversion can remove artifacts in the resistivity model and can improve the resolution for deeper resistivity structures. We

Magnon band structure and magnon density in one-dimensional magnonic crystals

International Nuclear Information System (INIS)

Qiu, Rong-ke; Huang, Te; Zhang, Zhi-dong

2014-01-01

By using Callen's Green's function method and the Tyablikov and Anderson–Callen decoupling approximations, we systematically study the magnon band structure and magnon density perpendicular to the superlattice plane of one-dimensional magnonic crystals, with a superlattice consisting of two magnetic layers with ferromagnetic (FM) or antiferromagnetic (AFM) interlayer exchange coupling. The effects of temperature, interlayer coupling, anisotropy and external magnetic field on the magnon-energy band and magnon density in the K x -direction are investigated in three situations: a) the magnon band of magnetic superlattices with FM interlayer coupling, b) separate and c) overlapping magnon bands of magnetic superlattices with AFM interlayer coupling. In the present work, a quantum approach is developed to study the magnon band structure and magnon density of magnonic crystals and the results are beneficial for the design of magnonic-crystal waveguides or gigahertz-range spin-wave filters. - Highlights: • A quantum approach has been developed to study the magnon band of magnonic crystals. • The separate and overlapping magnon bands of magnetic superlattices are investigated. • The results are beneficial for the design of gigahertz-range spin-wave filters

Magnon band structure and magnon density in one-dimensional magnonic crystals

Energy Technology Data Exchange (ETDEWEB)

Qiu, Rong-ke, E-mail: rkqiu@163.com [Shenyang University of Technology, Shenyang 110870 (China); Huang, Te [Shenyang University of Technology, Shenyang 110870 (China); Zhang, Zhi-dong [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

2014-11-15

By using Callen's Green's function method and the Tyablikov and Anderson–Callen decoupling approximations, we systematically study the magnon band structure and magnon density perpendicular to the superlattice plane of one-dimensional magnonic crystals, with a superlattice consisting of two magnetic layers with ferromagnetic (FM) or antiferromagnetic (AFM) interlayer exchange coupling. The effects of temperature, interlayer coupling, anisotropy and external magnetic field on the magnon-energy band and magnon density in the K{sub x}-direction are investigated in three situations: a) the magnon band of magnetic superlattices with FM interlayer coupling, b) separate and c) overlapping magnon bands of magnetic superlattices with AFM interlayer coupling. In the present work, a quantum approach is developed to study the magnon band structure and magnon density of magnonic crystals and the results are beneficial for the design of magnonic-crystal waveguides or gigahertz-range spin-wave filters. - Highlights: • A quantum approach has been developed to study the magnon band of magnonic crystals. • The separate and overlapping magnon bands of magnetic superlattices are investigated. • The results are beneficial for the design of gigahertz-range spin-wave filters.

Collective motions and band structures in A = 60 to 80, even--even nuclei

International Nuclear Information System (INIS)

Hamilton, J.H.; Robinson, R.L.; Ramayya, A.V.

1978-01-01

Evidence for and the theoretical understanding of the richness of the collective band structures as illustrated by at least seven bands seen in levels of 68 Ge, 74 Se are reviewed. The experimental data on even-even nuclei in the A = 60 to 80 region have now revealed a wide variety of collective bands with different structures. The even parity yrast cascades alone are seen to involve multiple collective structures. In addition to the ground-state bands, strong evidence is presented for both neutron and proton rotation-aligned bands built on the same orbital, (g 9 / 2 ) 2 , in one nucleus. Several other nuclei also show the crossing of RAL bands around the 8 + level in this region. Evidence continues to be strong experimentally and supported theoretically that there is some type of shape transition and shape coexistence occurring now both in the Ge and Se isotopes around N = 40. Negative parity bands with odd and even spins with very collective nature are seen in several nuclei to high spin. These bands seem best understood in the RAL model. Very collective bands with ΔI = 1, extending from 2 + to 9 + are seen with no rotation-alignment. The purity of these bands and their persistence to such high spin establish them as an independent collective mode which is best described as a gamma-type vibration band in a deformed nucleus. In addition to all of the above bands, new bands are seen in 76 Kr and 74 Se. The nature of these bands is not presently known. 56 references

Hubbard-U band-structure methods

DEFF Research Database (Denmark)

Albers, R.C.; Christensen, Niels Egede; Svane, Axel

2009-01-01

The last decade has seen a large increase in the number of electronic-structure calculations that involve adding a Hubbard term to the local-density approximation band-structure Hamiltonian. The Hubbard term is then determined either at the mean-field level or with sophisticated many......-body techniques such as using dynamical mean-field theory. We review the physics underlying these approaches and discuss their strengths and weaknesses in terms of the larger issues of electronic structure that they involve. In particular, we argue that the common assumptions made to justify such calculations...

Structure of collective bands and deformations in 74,76Kr

International Nuclear Information System (INIS)

Tripathy, K.C.; Sahu, R.

2000-01-01

The structure of collective bands in 74,76 Kr is studied within the framework of the deformed configuration mixing shell model based on Hartree-Fock states. The active single-particle orbits are 1p 3/2 , 0f 5/2 , 1p 1/2 and 0g 9/2 with 56 Ni as the inert core. A modified Kuo interaction has been used for the above configuration space. The 74 Kr nucleus is found to be the most deformed nucleus among the krypton isotopes which is in agreement with experiment. The deformation is found to decrease for the 76 Kr isotope. The calculated positive- and negative-parity bands agree quite well with the experiment for both the nuclei. A number of excited bands is also predicted. We have also calculated B(E2) values and compared them with available experimental data. The structure of the strongly coupled band built on K = 4 (+) in 76 Kr is also studied. (author)

Photonic band structures in one-dimensional photonic crystals containing Dirac materials

International Nuclear Information System (INIS)

Wang, Lin; Wang, Li-Gang

2015-01-01

We have investigated the band structures of one-dimensional photonic crystals (1DPCs) composed of Dirac materials and ordinary dielectric media. It is found that there exist an omnidirectional passing band and a kind of special band, which result from the interaction of the evanescent and propagating waves. Due to the interface effect and strong dispersion, the electromagnetic fields inside the special bands are strongly enhanced. It is also shown that the properties of these bands are invariant upon the lattice constant but sensitive to the resonant conditions

Self-consistent, relativistic, ferromagnetic band structure of gadolinium

International Nuclear Information System (INIS)

Harmon, B.N.; Schirber, J.; Koelling, D.D.

1977-01-01

An initial self-consistent calculation of the ground state magnetic band structure of gadolinium is described. A linearized APW method was used which included all single particle relativistic effects except spin-orbit coupling. The spin polarized potential was obtained in the muffin-tin form using the local spin density approximation for exchange and correlation. The most striking and unorthodox aspect of the results is the position of the 4f spin-down ''bands'' which are required to float just on top of the Fermi level in order to obtain convergence. If the 4f states (l = 3 resonance) are removed from the occupied region of the conduction bands the magnetic moment is approximately .75 μ/sub B//atom; however, as the 4f spin-down states are allowed to find their own position they hybridize with the conduction bands at the Fermi level and the moment becomes smaller. Means of improving the calculation are discussed

Electronic band structure in porous silicon studied by photoluminescence and photoluminescence excitation spectroscopy

International Nuclear Information System (INIS)

Lee, Ki-Won; Kim, Young-You

2004-01-01

In this research, we used photoluminescence (PL) and photoluminescence excitation (PLE) to visualize the electronic band structure in porous silicon (PS). From the combined results of the PLE measurements at various PL emission energies and the PL measurements under excitation at various PLE absorption energies, we infer that three different electronic band structures, originating from different luminescent origins, give rise to the PL spectrum. Through either thermal activation or diffusive transfer, excited carriers are moved to each of the electronic band structures.

A Compact UWB Band-Pass Filter Using Embedded Circular Slot Structures for Improved Upper Stop-band Performance

DEFF Research Database (Denmark)

Shen, Ming; Ren, Jian; Mikkelsen, Jan Hvolgaard

2016-01-01

structures into the ring resonator. This is different from conventional designs using cascaded bandstop/low-pass filters for stop-band response suppression, which usually leads to big circuit sizes. And hence the proposed approach can reduce the circuit size significantly. A prototype filter with a compact...... size (13.6 mm×6.75 mm) has been implemented for experimental validation. The measured results show a −3 dB frequency band from 3.4 GHz to 11.7 GHz and > 20 dB upper stop-band suppression from 12.5 GHz to 20GHz....

Tomographic inversion of prismatic reflections for the delineation of steeply dipping structures; Inversion tomographique des reflexions prismatiques en vue de la delineation des structures tres pentees

Energy Technology Data Exchange (ETDEWEB)

Cavalca, M.

2005-11-15

Seismic imaging of salt flanks still remains a challenge for oil exploration. We propose here to exploit the kinematic information contained in prismatic reflections for the delineation of steeply dipping structures, such as faults or overhangs of salt bodies. This double reflection (on a steeply dipping structure and on a sedimentary interface) contains in fact precious information on the geometry of such structures, information that we try to exploit in travel-time tomography. We first carry out a precise kinematic analysis of these unusual reflections, to better understand under which conditions prismatic reflections can be observed in surface data; and we propose some interpretative guidelines, of great help for identifying such reflections in seismic data. We then study the tomographic inversion of prismatic reflections. Our first attempts at inverting prismatic reflections by standard travel-time tomography reveal a major difficulty due to the possible non definition of the standard forward map. We thus propose a new formulation of travel-time tomography which ensures the definition of the forward map and therefore a robust inversion of prismatic reflections. This approach shows its efficiency for delineating steeply dipping (and/or overhanging) structures on different synthetic experiments. We finally illustrate the benefit of jointly using the information contained in prismatic reflections and in primary events for the velocity model building (simultaneous determination of velocities and interface geometries), through the joint inversion of events interpreted and picked on a realistic synthetic dataset (BP-AIT 2004). (author)

Solving complex band structure problems with the FEAST eigenvalue algorithm

Science.gov (United States)

Laux, S. E.

2012-08-01

With straightforward extension, the FEAST eigenvalue algorithm [Polizzi, Phys. Rev. B 79, 115112 (2009)] is capable of solving the generalized eigenvalue problems representing traveling-wave problems—as exemplified by the complex band-structure problem—even though the matrices involved are complex, non-Hermitian, and singular, and hence outside the originally stated range of applicability of the algorithm. The obtained eigenvalues/eigenvectors, however, contain spurious solutions which must be detected and removed. The efficiency and parallel structure of the original algorithm are unaltered. The complex band structures of Si layers of varying thicknesses and InAs nanowires of varying radii are computed as test problems.

Mantle viscosity structure constrained by joint inversions of seismic velocities and density

Science.gov (United States)

Rudolph, M. L.; Moulik, P.; Lekic, V.

2017-12-01

The viscosity structure of Earth's deep mantle affects the thermal evolution of Earth, the ascent of mantle upwellings, sinking of subducted oceanic lithosphere, and the mixing of compositional heterogeneities in the mantle. Modeling the long-wavelength dynamic geoid allows us to constrain the radial viscosity profile of the mantle. Typically, in inversions for the mantle viscosity structure, wavespeed variations are mapped into density variations using a constant- or depth-dependent scaling factor. Here, we use a newly developed joint model of anisotropic Vs, Vp, density and transition zone topographies to generate a suite of solutions for the mantle viscosity structure directly from the seismologically constrained density structure. The density structure used to drive our forward models includes contributions from both thermal and compositional variations, including important contributions from compositionally dense material in the Large Low Velocity Provinces at the base of the mantle. These compositional variations have been neglected in the forward models used in most previous inversions and have the potential to significantly affect large-scale flow and thus the inferred viscosity structure. We use a transdimensional, hierarchical, Bayesian approach to solve the inverse problem, and our solutions for viscosity structure include an increase in viscosity below the base of the transition zone, in the shallow lower mantle. Using geoid dynamic response functions and an analysis of the correlation between the observed geoid and mantle structure, we demonstrate the underlying reason for this inference. Finally, we present a new family of solutions in which the data uncertainty is accounted for using covariance matrices associated with the mantle structure models.

Band structure and phonon properties of lithium fluoride at high pressure

Energy Technology Data Exchange (ETDEWEB)

Panchal, J. M., E-mail: amitjignesh@yahoo.co.in [Government Engineering College, Gandhinagar 382028, Gujarat (India); Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Joshi, Mitesh [Government Polytechnic for Girls, Athwagate, Surat395001, Gujarat (India); Gajjar, P. N., E-mail: pngajjar@rediffmail.com [Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)

2016-05-23

High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

Band structure and phonon properties of lithium fluoride at high pressure

International Nuclear Information System (INIS)

Panchal, J. M.; Joshi, Mitesh; Gajjar, P. N.

2016-01-01

High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

Two-dimensional microwave band-gap structures of different ...

Indian Academy of Sciences (India)

- stant and/or magnetic permeability (or in particular impedance) are periodic and the propagation of electromagnetic waves is forbidden at certain frequencies when allowed to pass through these structures. This is similar to the electronic band.

Volume and surface photoemission from tungsten. I. Calculation of band structure and emission spectra

DEFF Research Database (Denmark)

Christensen, N. Egede; Feuerbacher, B.

1974-01-01

is obtained from an ad hoc potential based on a Dirac-Slater atomic calculation for the ground-state configuration and with full Slater exchange in the atomic as well as in the crystal potential. The selection of this best potential is justified by comparing the calculated band structure to Fermi...... of states. The present work includes a crude estimate of this surface density of states, which is derived from the bulk band structure by narrowing the d bands according to an effective number of neighbors per surface atom. Estimates of surface relaxation effects are also included.......The electronic energy-band structure of tungsten has been calculated by means of the relativistic-augmented-plane-wave method. A series of mutually related potentials are constructed by varying the electronic configuration and the amount of Slater exchange included. The best band structure...

Analysis of photonic band-gap (PBG) structures using the FDTD method

DEFF Research Database (Denmark)

Tong, M.S.; Cheng, M.; Lu, Y.L.

2004-01-01

In this paper, a number of photonic band-gap (PBG) structures, which are formed by periodic circuit elements printed oil transmission-line circuits, are studied by using a well-known numerical method, the finite-difference time-domain (FDTD) method. The results validate the band-stop filter...... behavior of these structures, and the computed results generally match well with ones published in the literature. It is also found that the FDTD method is a robust, versatile, and powerful numerical technique to perform such numerical studies. The proposed PBG filter structures may be applied in microwave...

Optimizing sol-gel infiltration for the fabrication of high-quality titania inverse opal and its photocatalytic activity

International Nuclear Information System (INIS)

Liu Weijie; Zou Bo; Zhao Jing; Cui Haining

2010-01-01

This article reports an optimized sol-gel opal infiltration technique for the fabrication of high-quality titania inverse opal. Different from previous reports, the presently proposed method is facile, efficient and suitable for other inorganic oxide. We have compared two different infiltration strategies and their influences on the structure, photonic properties and photocatalytic activity. The obtained titania inverse opal displays excellent photonic properties with photonic band gap at 320 nm and better photocatalytic effect, which is attributed to its high-quality inverse opal nanostructure. Reproducibility tests prove that the photocatalytic activity of the resultant titania inverse opal remains intact even after five repeated photocatalytic reactions under the same procedure and experimental conditions.

Research on the Band Gap Characteristics of Two-Dimensional Phononic Crystals Microcavity with Local Resonant Structure

Directory of Open Access Journals (Sweden)

Mao Liu

2015-01-01

Full Text Available A new two-dimensional locally resonant phononic crystal with microcavity structure is proposed. The acoustic wave band gap characteristics of this new structure are studied using finite element method. At the same time, the corresponding displacement eigenmodes of the band edges of the lowest band gap and the transmission spectrum are calculated. The results proved that phononic crystals with microcavity structure exhibited complete band gaps in low-frequency range. The eigenfrequency of the lower edge of the first gap is lower than no microcavity structure. However, for no microcavity structure type of quadrilateral phononic crystal plate, the second band gap disappeared and the frequency range of the first band gap is relatively narrow. The main reason for appearing low-frequency band gaps is that the proposed phononic crystal introduced the local resonant microcavity structure. This study provides a good support for engineering application such as low-frequency vibration attenuation and noise control.

Tuning the band gap in hybrid tin iodide perovskite semiconductors using structural templating.

Science.gov (United States)

Knutson, Jeremy L; Martin, James D; Mitzi, David B

2005-06-27

Structural distortions within the extensive family of organic/inorganic hybrid tin iodide perovskite semiconductors are correlated with their experimental exciton energies and calculated band gaps. The extent of the in- and out-of-plane angular distortion of the SnI4(2-) perovskite sheets is largely determined by the relative charge density and steric requirements of the organic cations. Variation of the in-plane Sn-I-Sn bond angle was demonstrated to have the greatest impact on the tuning of the band gap, and the equatorial Sn-I bond distances have a significant secondary influence. Extended Hückel tight-binding band calculations are employed to decipher the crystal orbital origins of the structural effects that fine-tune the band structure. The calculations suggest that it may be possible to tune the band gap by as much as 1 eV using the templating influence of the organic cation.

Influence of triaxiality on the signature inversion in odd-odd nuclei

International Nuclear Information System (INIS)

Zheng Renrong; Zhu Shunquan; Luo Xiangdong; Gizon, A.; Gizon, J.; Paul, E.S.

2004-01-01

The nature of signature inversion in the πg 9/2 νh 11/2 bands of odd-odd 98,102 Rh nuclei is studied. Calculations are performed by using a triaxial rotor plus two-quasiparticle model and are compared with the experimentally observed signature inversions. The calculations reproduce well the observations and suggest that, in these bands, the signature inversion can be interpreted mainly as a competition between the Coriolis and the proton-neutron residual interactions in low K space. The triaxiality applied in the Hamiltonian enlarges the amplitudes of high spin signature zigzags at small triaxial deformation and might push the signature inversion point to higher spin at large triaxial deformation

Combined NLCG/SBI magnetotelluric data inversion for recognition of complex geological structures

International Nuclear Information System (INIS)

Michal Stefaniuk

2009-01-01

Complete text of publication follows. Geological interpretation of magnetotelluric data is a subject of some misunderstandings. Simplified geometrically and well contrasted in resistivity models do not response for real geological environment. The aim of outstripping magnetotelluric works widely made in Polish Outer Carpathians, is general structural and lithological recognising of geological environment and distinguishing of areas where oil prospection will be projected. The geological medium is formed by sedimentary formations, strongly deformed and containing relatively thin layers with essentially differentiated parameters, overlying rather flat, high resistivity basement. Application of simplified strongly contrasted interpretation model with fluently changing parameters gives frequently results not corresponding with geological reality. Presented analysis is based on surveys located in marginal zone of Carpathianst in the area relatively well recognised, where interpreted structural and lithologic model rather well reflects real geological medium. Then, it was used as reference model for obtained results of MT data inversion. Magnetotelluric continuous profiling located along reflection seismic profile, between two deep boreholes was made. Set of results of computations allows to evaluate of effectiveness of used procedures and suggest optimum way of dealing. First stage of data interpretation was based on 1D and EMAP inversion. The section was then applied as starting model for 2D NLCG inversion. Results of this method give rather generalized resistivity distribution well reflecting structure of flysch cover but not adequate for the basement. This models was applied as starting models for SBI inversion constrained by borehole data. Results of SBI procedure well reflects relatively flat complexes of the basement, but are rather unrealistic for folded flysch cover. The another NLCG inversion was computed with stabilised model of basement obtained from SBI

Study of multi-quasiparticle band structures in 197Tl using α beam

International Nuclear Information System (INIS)

Mukherjee, G.; Nandi, S.; Pai, H.

2016-01-01

Study of the multi-quasiparticle (qp) states and the band structures built on them in the neutron deficient Tl nuclei in A ∼ 190 mass region provides useful information on particle-hole interaction in the heavy nuclei. In order to investigate the multi-qp band structures we have studied the excited states in 197 Tl by gamma ray spectroscopy

Finite difference time domain calculation of three-dimensional phononic band structures using a postprocessing method based on the filter diagonalization

International Nuclear Information System (INIS)

Su Xiaoxing; Ma Tianxue; Wang Yuesheng

2011-01-01

If the band structure of a three-dimensional (3D) phononic crystal (PNC) is calculated by using the finite difference time domain (FDTD) method combined with the fast Fourier transform (FFT)-based postprocessing method, good results can only be ensured by a sufficiently large number of FDTD iterations. On a common computer platform, the total computation time will be very long. To overcome this difficulty, an excellent harmonic inversion algorithm called the filter diagonalization method (FDM) can be used in the postprocessing to reduce the number of FDTD iterations. However, the low efficiency of the FDM, which occurs when a relatively long time series is given, does not necessarily ensure an effective reduction of the total computation time. In this paper, a postprocessing method based on the FDM is proposed. The main procedure of the method is designed considering the aim to make the time spent on the method itself far less than the corresponding time spent on the FDTD iterations. To this end, the FDTD time series is preprocessed to be shortened significantly before the FDM frequency extraction. The preprocessing procedure is performed with the filter and decimation operations, which are widely used in narrow-band signal processing. Numerical results for a typical 3D solid PNC system show that the proposed postprocessing method can be used to effectively reduce the total computation time of the FDTD calculation of 3D phononic band structures.

Finite difference time domain calculation of three-dimensional phononic band structures using a postprocessing method based on the filter diagonalization

Energy Technology Data Exchange (ETDEWEB)

Su Xiaoxing [School of Electronic and Information Engineering, Beijing Jiaotong University, Beijing 100044 (China); Ma Tianxue; Wang Yuesheng, E-mail: xxsu@bjtu.edu.cn [Institute of Engineering Mechanics, Beijing Jiaotong University, Beijing 100044 (China)

2011-10-15

If the band structure of a three-dimensional (3D) phononic crystal (PNC) is calculated by using the finite difference time domain (FDTD) method combined with the fast Fourier transform (FFT)-based postprocessing method, good results can only be ensured by a sufficiently large number of FDTD iterations. On a common computer platform, the total computation time will be very long. To overcome this difficulty, an excellent harmonic inversion algorithm called the filter diagonalization method (FDM) can be used in the postprocessing to reduce the number of FDTD iterations. However, the low efficiency of the FDM, which occurs when a relatively long time series is given, does not necessarily ensure an effective reduction of the total computation time. In this paper, a postprocessing method based on the FDM is proposed. The main procedure of the method is designed considering the aim to make the time spent on the method itself far less than the corresponding time spent on the FDTD iterations. To this end, the FDTD time series is preprocessed to be shortened significantly before the FDM frequency extraction. The preprocessing procedure is performed with the filter and decimation operations, which are widely used in narrow-band signal processing. Numerical results for a typical 3D solid PNC system show that the proposed postprocessing method can be used to effectively reduce the total computation time of the FDTD calculation of 3D phononic band structures.

Electronic band structure of magnetic bilayer graphene superlattices

International Nuclear Information System (INIS)

Pham, C. Huy; Nguyen, T. Thuong; Nguyen, V. Lien

2014-01-01

Electronic band structure of the bilayer graphene superlattices with δ-function magnetic barriers and zero average magnetic flux is studied within the four-band continuum model, using the transfer matrix method. The periodic magnetic potential effects on the zero-energy touching point between the lowest conduction and the highest valence minibands of pristine bilayer graphene are exactly analyzed. Magnetic potential is shown also to generate the finite-energy touching points between higher minibands at the edges of Brillouin zone. The positions of these points and the related dispersions are determined in the case of symmetric potentials.

Strongly reduced band gap in NiMn2O4 due to cation exchange

International Nuclear Information System (INIS)

Huang, Jhih-Rong; Hsu, Han; Cheng, Ching

2014-01-01

NiMn 2 O 4 is extensively used as a basis material for temperature sensors due to its negative temperature coefficient of resistance (NTCR), which is commonly attributed to the hopping mechanism involving coexisting octahedral-site Mn 4+ and Mn 3+ . Using density-functional theory + Hubbard U calculations, we identify a ferrimagnetic inverse spinel phase as the collinear ground state of NiMn 2 O 4 . By a 12.5% cation exchange, a mixed phase with slightly higher energy can be constructed, accompanied by the formation of an impurity-like band in the original 1 eV band gap. This impurity-like band reduces the gap to 0.35 eV, suggesting a possible source of NTCR. - Highlights: • Density functional based calculations were used to study collinear phase of NiMn 2 O 4 . • The ground-state structure is a ferrimagnetic inverse spinel phase. • The tetrahedral and octahedral Mn cations have ferromagnetic interactions. • A 12.5% cation exchange introduces an impurity-like band in the original 1 eV gap. • The 0.35 eV gap suggests a source of negative temperature coefficient of resistance

Band structure and optical properties of opal photonic crystals

OpenAIRE

Pavarini, E.; Andreani, L. C.; Soci, C.; Galli, M.; Marabelli, F.; Comoretto, D.

2005-01-01

A theoretical approach for the interpretation of reflectance spectra of opal photonic crystals with fcc structure and (111) surface orientation is presented. It is based on the calculation of photonic bands and density of states corresponding to a specified angle of incidence in air. The results yield a clear distinction between diffraction in the direction of light propagation by (111) family planes (leading to the formation of a stop band) and diffraction in other directions by higher-order...

Simulation of the Band Structure of Graphene and Carbon Nanotube

International Nuclear Information System (INIS)

Mina, Aziz N; Awadallah, Attia A; Ahmed, Riham R; Phillips, Adel H

2012-01-01

Simulation technique has been performed to simulate the band structure of both graphene and carbon nanotube. Accordingly, the dispersion relations for graphene and carbon nanotube are deduced analytically, using the tight binding model and LCAO scheme. The results from the simulation of the dispersion relation of both graphene and carbon nanotube were found to be consistent with those in the literature which indicates the correctness of the process of simulation technique. The present research is very important for tailoring graphene and carbon nanotube with specific band structure, in order to satisfy the required electronic properties of them.

High gradient test of X-band accelerating structure at GLCTA

International Nuclear Information System (INIS)

Watanabe, K.; Higo, T.; Hayano, H.; Terunuma, N.; Saeki, T.; Kudo, N.; Sanuki, T.; Seuhara, T.

2004-01-01

GLCTA (Global Linear Collider Test Accelerator) is the high power test facility for X-band acceleration. We have installed an X-band 60cm structure in April 2004 and have been processing it for more than 3 months. Now it is under test on long-term operation. We report here the installation process and high power test result to date. (author)

Band structures in two-dimensional phononic crystals with periodic Jerusalem cross slot

Science.gov (United States)

Li, Yinggang; Chen, Tianning; Wang, Xiaopeng; Yu, Kunpeng; Song, Ruifang

2015-01-01

In this paper, a novel two-dimensional phononic crystal composed of periodic Jerusalem cross slot in air matrix with a square lattice is presented. The dispersion relations and the transmission coefficient spectra are calculated by using the finite element method based on the Bloch theorem. The formation mechanisms of the band gaps are analyzed based on the acoustic mode analysis. Numerical results show that the proposed phononic crystal structure can yield large band gaps in the low-frequency range. The formation mechanism of opening the acoustic band gaps is mainly attributed to the resonance modes of the cavities inside the Jerusalem cross slot structure. Furthermore, the effects of the geometrical parameters on the band gaps are further explored numerically. Results show that the band gaps can be modulated in an extremely large frequency range by the geometry parameters such as the slot length and width. These properties of acoustic waves in the proposed phononic crystals can potentially be applied to optimize band gaps and generate low-frequency filters and waveguides.

Band structure and optical properties of opal photonic crystals

Science.gov (United States)

Pavarini, E.; Andreani, L. C.; Soci, C.; Galli, M.; Marabelli, F.; Comoretto, D.

2005-07-01

A theoretical approach for the interpretation of reflectance spectra of opal photonic crystals with fcc structure and (111) surface orientation is presented. It is based on the calculation of photonic bands and density of states corresponding to a specified angle of incidence in air. The results yield a clear distinction between diffraction in the direction of light propagation by (111) family planes (leading to the formation of a stop band) and diffraction in other directions by higher-order planes (corresponding to the excitation of photonic modes in the crystal). Reflectance measurements on artificial opals made of self-assembled polystyrene spheres are analyzed according to the theoretical scheme and give evidence of diffraction by higher-order crystalline planes in the photonic structure.

Experimental Studies of W-Band Accelerator Structures at High Field

Energy Technology Data Exchange (ETDEWEB)

Hill, Marc E

2001-02-09

A high-gradient electron accelerator is desired for high-energy physics research, where frequency scalings of breakdown and trapping of itinerant beamline particles dictates operation of the accelerator at short wavelengths. The first results of design and test of a high-gradient mm-wave linac with an operating frequency at 91.392 GHz (W-band) are presented. A novel approach to particle acceleration is presented employing a planar, dielectric lined waveguide used for particle acceleration. The traveling wave fields in the planar dielectric accelerator (PDA) are analyzed for an idealized structure, along with a circuit equivalent model used for understanding the structure as a microwave circuit. Along with the W-band accelerator structures, other components designed and tested are high power rf windows, high power attenuators, and a high power squeeze-type phase shifter. The design of the accelerator and its components where eased with the aide of numerical simulations using a finite-difference electromagnetic field solver. Manufacturing considerations of the small, delicate mm-wave components and the steps taken to reach a robust fabrication process are detailed. These devices were characterized under low power using a two-port vector network analyzer to verify tune and match, including measurements of the structures' fields using a bead-pull. The measurements are compared with theory throughout. Addition studies of the W-band structures were performed under high power utilizing a 11.424 GHz electron linac as a current source. Test results include W-band power levels of 200 kW, corresponding to fields in the PDA of over 20 MV/m, a higher gradient than any collider. Planar accelerator devices naturally have an rf quadrupole component of the accelerating field. Presented for the first time are the measurements of this effect.

Study of band structure in 78,80Sr using Triaxial Projected Shell Model

International Nuclear Information System (INIS)

Behera, N.; Naik, Z.; Bhat, G.H.; Sheikh, J.A.; Palit, R.; Sun, Y.

2017-01-01

The purpose of present work is to carry out a systematic study of the yrast-band and gamma-band structure for the even-even 78-80 Sr nuclei using Triaxial Projected Shell Model (TPSM) approach. These nuclei were chosen because 78 Sr has well developed side band(unassigned configuration) and 80 Sr has well developed band observed experimentally

The Relaxation Matrix for Symmetric Tops with Inversion Symmetry. II; Line Mixing Effects in the V1 Band of NH3

Science.gov (United States)

Boulet, C.; Ma, Q.

2016-01-01

Line mixing effects have been calculated in the ?1 parallel band of self-broadened NH3. The theoretical approach is an extension of a semi-classical model to symmetric-top molecules with inversion symmetry developed in the companion paper [Q. Ma and C. Boulet, J. Chem. Phys. 144, 224303 (2016)]. This model takes into account line coupling effects and hence enables the calculation of the entire relaxation matrix. A detailed analysis of the various coupling mechanisms is carried out for Q and R inversion doublets. The model has been applied to the calculation of the shape of the Q branch and of some R manifolds for which an obvious signature of line mixing effects has been experimentally demonstrated. Comparisons with measurements show that the present formalism leads to an accurate prediction of the available experimental line shapes. Discrepancies between the experimental and theoretical sets of first order mixing parameters are discussed as well as some extensions of both theory and experiment.

[Crop geometry identification based on inversion of semiempirical BRDF models].

Science.gov (United States)

Zhao, Chun-jiang; Huang, Wen-jiang; Mu, Xu-han; Wang, Jin-diz; Wang, Ji-hua

2009-09-01

With the rapid development of remote sensing technology, the application of remote sensing has extended from single view angle to multi-view angles. It was studied for the qualitative and quantitative effect of average leaf angle (ALA) on crop canopy reflected spectrum. Effect of ALA on canopy reflected spectrum can not be ignored with inversion of leaf area index (LAI) and monitoring of crop growth condition by remote sensing technology. Investigations of the effect of erective and horizontal varieties were conducted by bidirectional canopy reflected spectrum and semiempirical bidirectional reflectance distribution function (BRDF) models. The sensitive analysis was done based on the weight for the volumetric kernel (fvol), the weight for the geometric kernel (fgeo), and the weight for constant corresponding to isotropic reflectance (fiso) at red band (680 nm) and near infrared band (800 nm). By combining the weights of the red and near-infrared bands, the semiempirical models can obtain structural information by retrieving biophysical parameters from the physical BRDF model and a number of bidirectional observations. So, it will allow an on-site and non-sampling mode of crop ALA identification, which is useful for using remote sensing for crop growth monitoring and for improving the LAI inversion accuracy, and it will help the farmers in guiding the fertilizer and irrigation management in the farmland without a priori knowledge.

Bulk band structure of Bi2Te3

DEFF Research Database (Denmark)

Michiardi, Matteo; Aguilera, Irene; Bianchi, Marco

2014-01-01

-electron full-potential linearized augmented-plane-wave (FLAPW) formalism, fully taking into account spin-orbit coupling. Quasiparticle effects produce significant changes in the band structure of Bi2Te3 when compared to LDA. Experimental and calculated results are compared in the spectral regions where...

Inverse strain rate effect on cyclic stress response in annealed Zircaloy-2

Energy Technology Data Exchange (ETDEWEB)

Sudhakar Rao, G.; Verma, Preeti [Center of Advanced Study, Department of Metallurgical Engineering, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India); Chakravartty, J.K. [Mechanical Metallurgy Group, Bhabha Atomic Research Center, Trombay 400 085, Mumbai (India); Nudurupati, Saibaba [Nuclear Fuel Complex, Hyderabad 500 062 (India); Mahobia, G.S.; Santhi Srinivas, N.C. [Center of Advanced Study, Department of Metallurgical Engineering, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India); Singh, Vakil, E-mail: vsingh.met@itbhu.ac.in [Center of Advanced Study, Department of Metallurgical Engineering, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India)

2015-02-15

Low cycle fatigue behavior of annealed Zircaloy-2 was investigated at 300 and 400 °C at different strain amplitudes and strain rates of 10{sup −2}, 10{sup −3}, and 10{sup −4} s{sup −1}. Cyclic stress response showed initial hardening with decreasing rate of hardening, followed by linear cyclic hardening and finally secondary hardening with increasing rate of hardening for low strain amplitudes at both the temperatures. The rate as well the degree of linear hardening and secondary hardening decreased with decrease in strain rate at 300 °C, however, there was inverse effect of strain rate on cyclic stress response at 400 °C and cyclic stress was increased with decrease in strain rate. The fatigue life decreased with decrease in strain rate at both the temperatures. The occurrence of linear cyclic hardening, inverse effect of strain rate on cyclic stress response and deterioration in fatigue life with decrease in strain rate may be attributed to dynamic strain aging phenomena resulting from enhanced interaction of dislocations with solutes. Fracture surfaces revealed distinct striations, secondary cracking, and oxidation with decrease in strain rate. Deformation substructure showed parallel dislocation lines and dislocation band structure at 300 °C. Persistent slip band wall structure and development of fine Corduroy structure was observed at 400 °C.

Inverse strain rate effect on cyclic stress response in annealed Zircaloy-2

International Nuclear Information System (INIS)

Sudhakar Rao, G.; Verma, Preeti; Chakravartty, J.K.; Nudurupati, Saibaba; Mahobia, G.S.; Santhi Srinivas, N.C.; Singh, Vakil

2015-01-01

Low cycle fatigue behavior of annealed Zircaloy-2 was investigated at 300 and 400 °C at different strain amplitudes and strain rates of 10 −2 , 10 −3 , and 10 −4 s −1 . Cyclic stress response showed initial hardening with decreasing rate of hardening, followed by linear cyclic hardening and finally secondary hardening with increasing rate of hardening for low strain amplitudes at both the temperatures. The rate as well the degree of linear hardening and secondary hardening decreased with decrease in strain rate at 300 °C, however, there was inverse effect of strain rate on cyclic stress response at 400 °C and cyclic stress was increased with decrease in strain rate. The fatigue life decreased with decrease in strain rate at both the temperatures. The occurrence of linear cyclic hardening, inverse effect of strain rate on cyclic stress response and deterioration in fatigue life with decrease in strain rate may be attributed to dynamic strain aging phenomena resulting from enhanced interaction of dislocations with solutes. Fracture surfaces revealed distinct striations, secondary cracking, and oxidation with decrease in strain rate. Deformation substructure showed parallel dislocation lines and dislocation band structure at 300 °C. Persistent slip band wall structure and development of fine Corduroy structure was observed at 400 °C

X-ray induced pericentric inversions in Anopheles albimanus

International Nuclear Information System (INIS)

Rabbani, M.G.; Seawright, J.A.; Kitzmiller, J.B.

1977-01-01

Sixteen different pericentric inversions, ten on chromosome 2 and six on chromosome 3, have been isolated and characterized. The partial sterility in the inversion heterozygotes ranged from about 28 to 50%. Contrary to theoretical considerations, a curvilinear relationship exists between inversion length and partial sterility, whereby a reduction in sterility was noted for progressively longer inversions. The break-points are distributed randomly over the autosomes, but are observed more frequently in the areas of the salivary gland chromosomes where diffuse and broken bands of variable stainability are located. (author)

N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine.

Science.gov (United States)

Vallejo-López, Montserrat; Écija, Patricia; Vogt, Natalja; Demaison, Jean; Lesarri, Alberto; Basterretxea, Francisco J; Cocinero, Emilio J

2017-11-21

A rotational spectroscopy investigation has resolved the conformational equilibrium and structural properties of the alkaloid pseudopelletierine. Two different conformers, which originate from inversion of the N-methyl group from an axial to an equatorial position, have been unambiguously identified in the gas phase, and nine independent isotopologues have been recorded by Fourier-transform microwave spectroscopy in a jet expansion. Both conformers share a chair-chair configuration of the two bridged six-membered rings. The conformational equilibrium is displaced towards the axial form, with a relative population in the supersonic jet of N axial /N equatorial ≈2/1. An accurate equilibrium structure has been determined by using the semiexperimental mixed-estimation method and alternatively computed by quantum-chemical methods up to the coupled-cluster level of theory. A comparison with the N-methyl inversion equilibria in related tropanes is also presented. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photo field emission spectroscopy of the tantalum band structure

International Nuclear Information System (INIS)

Kleint, Ch.; Radon, T.

1978-01-01

Photo field emission (PFE) currents of clean and barium covered tantalum tips have been measured with single lines of the mercury arc spectrum and phase-sensitive detection. Field strength and work function were determined from Fowler-Nordheim plots of the FE currents. Shoulders in the PFE current-voltage characteristics could be correlated to transitions in the band structure of tantalum according to a recently proposed two-step PFE model. A comparison with the relativistic calculations of Mattheiss and the nonrelativistic bands of Petroff and Viswanathan shows that Mattheiss' bands are more appropriate. Beside direct transitions several nondirect transitions from the different features composing the upper two density of states maxima below the Fermi edge of tantalum have been found. (Auth.)

The structure of collective bands in 72Ge

International Nuclear Information System (INIS)

Tripathy, K.C.; Sahu, R.

1999-01-01

In recent years, extensive experimental studies of nuclei in the mass region A=80 have led to exciting discoveries of large ground state deformations, coexistence of shapes, band crossings, rapid variations of structure with changing nucleon numbers etc. A theoretical study of 72 Ge is presented

Design for maximum band-gaps in beam structures

DEFF Research Database (Denmark)

Olhoff, Niels; Niu, Bin; Cheng, Gengdong

2012-01-01

This paper aims to extend earlier optimum design results for transversely vibrating Bernoulli-Euler beams by determining new optimum band-gap beam structures for (i) different combinations of classical boundary conditions, (ii) much larger values of the orders n and n-1 of adjacent upper and lower...

High Power Test of an X-Band Slotted-IRIS Accelerator Structure at NLCTA

International Nuclear Information System (INIS)

Doebert, S.; Fandos, R.; Grudiev, A.; Heikkinen, S.; Rodriquez, J.A.; Taborelli, M.; Wuensch, W.; Adolphsen, Chris E.; Laurent, L.

2007-01-01

The CLIC study group at CERN has built two X-band HDS (hybrid damped structure) accelerating structures for high-power testing in NLCTA at SLAC. These accelerating structures are novel with respect to their rf- design and their fabrication technique. The eleven-cell constant impedance structures, one made out of copper and one out of molybdenum, are assembled from clamped high-speed milled quadrants. They feature the same heavy higher-order-mode damping as nominal CLIC structures achieved by slotted irises and radial damping waveguides for each cell. The X-band accelerators are exactly scaled versions of structures tested at 30 GHz in the CLIC test facility, CTF3. The results of the X-band tests are presented and compared to those at 30 GHz to determine frequency scaling, and are compared to the extensive copper data from the NLC structure development program to determine material dependence and make a basic validation of the HDS design

Band structure of hydrogenated Si nanosheets and nanotubes

International Nuclear Information System (INIS)

Guzman-Verri, G G; Lew Yan Voon, L C

2011-01-01

The band structures of fully hydrogenated Si nanosheets and nanotubes are elucidated by the use of an empirical tight-binding model. The hydrogenated Si sheet is a semiconductor with an indirect band gap of about 2.2 eV. The symmetries of the wavefunctions allow us to explain the origin of the gap. We predict that, for certain chiralities, hydrogenated Si nanotubes represent a new type of semiconductor, one with coexisting direct and indirect gaps of exactly the same magnitude. This behavior is different from that governed by the Hamada rule established for non-hydrogenated carbon and silicon nanotubes. A comparison to the results of an ab initio calculation is made.

Band structures of 4f and 5f materials studied by angle-resolved photoelectron spectroscopy.

Science.gov (United States)

Fujimori, Shin-ichi

2016-04-20

Recent remarkable progress in angle-resolved photoelectron spectroscopy (ARPES) has enabled the direct observation of the band structures of 4f and 5f materials. In particular, ARPES with various light sources such as lasers (hν ~ 7 eV) or high-energy synchrotron radiations (hν >/~ 400 eV) has shed light on the bulk band structures of strongly correlated materials with energy scales of a few millielectronvolts to several electronvolts. The purpose of this paper is to summarize the behaviors of 4f and 5f band structures of various rare-earth and actinide materials observed by modern ARPES techniques, and understand how they can be described using various theoretical frameworks. For 4f-electron materials, ARPES studies of CeMIn5(M = Rh, Ir, and Co) and YbRh2Si2 with various incident photon energies are summarized. We demonstrate that their 4f electronic structures are essentially described within the framework of the periodic Anderson model, and that the band-structure calculation based on the local density approximation cannot explain their low-energy electronic structures. Meanwhile, electronic structures of 5f materials exhibit wide varieties ranging from itinerant to localized states. For itinerant U5f compounds such as UFeGa5, their electronic structures can be well-described by the band-structure calculation assuming that all U5f electrons are itinerant. In contrast, the band structures of localized U5f compounds such as UPd3 and UO2 are essentially explained by the localized model that treats U5f electrons as localized core states. In regards to heavy fermion U-based compounds such as the hidden-order compound URu2Si2, their electronic structures exhibit complex behaviors. Their overall band structures are generally well-explained by the band-structure calculation, whereas the states in the vicinity of EF show some deviations due to electron correlation effects. Furthermore, the electronic structures of URu2Si2 in the paramagnetic and hidden-order phases are

On the controlled isotropic shrinkage induced fine-tuning of photo-luminescence in terbium ions embedded silica inverse opal films

Science.gov (United States)

Shrivastava, Vishnu Prasad; Kumar, Jitendra; Sivakumar, Sri

2017-12-01

Tb3+ embedded silica inverse opal structures with different photonic stop bands have been fabricated by annealing the SiO2-polystyrene spheres (diameter 390 nm) opal template at 320-650 oC. The PSB tuning realized in the wavelength range 498 - 600 nm is shown to depend on annealing temperature and impending isotropic shrinkage of silica matrix. The impact of wide PSB shift on four Tb3+ ion emission bands (blue, green, yellow, and red at 486, 545, 580, and 620 nm, respectively) corresponding to 5D4→7Fj (j = 6,5,4,3) transitions have been investigated. The effect amounts to significant suppression of emission bands at 586, 545 and 486 nm in inverse opals, obtained by annealing opal template at 350, 400, and 650 oC, respectively. Further, luminescence lifetime of Tb3+ ion 5D4 state increases with shrinkage induced in inverse opal progressively and get enhanced up to 2.3 times vis-à-vis reference silica. The changes in refractive index caused by thermal annealing of opal template is found to be responsible for the observed improvement in 5D4 state lifetime.

8-band and 14-band kp modeling of electronic band structure and material gain in Ga(In)AsBi quantum wells grown on GaAs and InP substrates

Energy Technology Data Exchange (ETDEWEB)

Gladysiewicz, M.; Wartak, M. S. [Faculty of Fundamental Problems of Technology, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland); Department of Physics and Computer Science, Wilfrid Laurier University, Waterloo, Ontario N2L 3C5 (Canada); Kudrawiec, R. [Faculty of Fundamental Problems of Technology, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland)

2015-08-07

The electronic band structure and material gain have been calculated for GaAsBi/GaAs quantum wells (QWs) with various bismuth concentrations (Bi ≤ 15%) within the 8-band and 14-band kp models. The 14-band kp model was obtained by extending the standard 8-band kp Hamiltonian by the valence band anticrossing (VBAC) Hamiltonian, which is widely used to describe Bi-related changes in the electronic band structure of dilute bismides. It has been shown that in the range of low carrier concentrations n < 5 × 10{sup 18 }cm{sup −3}, material gain spectra calculated within 8- and 14-band kp Hamiltonians are similar. It means that the 8-band kp model can be used to calculate material gain in dilute bismides QWs. Therefore, it can be applied to analyze QWs containing new dilute bismides for which the VBAC parameters are unknown. Thus, the energy gap and electron effective mass for Bi-containing materials are used instead of VBAC parameters. The electronic band structure and material gain have been calculated for 8 nm wide GaInAsBi QWs on GaAs and InP substrates with various compositions. In these QWs, Bi concentration was varied from 0% to 5% and indium concentration was tuned in order to keep the same compressive strain (ε = 2%) in QW region. For GaInAsBi/GaAs QW with 5% Bi, gain peak was determined to be at about 1.5 μm. It means that it can be possible to achieve emission at telecommunication windows (i.e., 1.3 μm and 1.55 μm) for GaAs-based lasers containing GaInAsBi/GaAs QWs. For GaInAsBi/Ga{sub 0.47}In{sub 0.53}As/InP QWs with 5% Bi, gain peak is predicted to be at about 4.0 μm, i.e., at the wavelengths that are not available in current InP-based lasers.

Effect of pressure on the structural properties and electronic band structure of GaSe

Energy Technology Data Exchange (ETDEWEB)

Schwarz, U.; Olguin, D.; Syassen, K. [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany); Cantarero, A. [Department of Materials Sciences, University of Valencia, 46000 Burjasot (Spain); Hanfland, M. [European Synchrotron Radiation Facility, BP 220, 38043 Grenoble (France)

2007-01-15

The structural properties of GaSe have been investigated up to 38 GPa by monochromatic X-ray diffraction. The onset of the phase transition from the {epsilon}-GaSe to a disordered NaCl-type structural motif is observed near 21 GPa. Using the experimentally determined lattice parameters of the layered {epsilon}-phase as input, constrained ab-initio total energy calculations were performed in order to optimize the internal structural parameters at different pressures. The results obtained for the nearest-neighbor Ga-Se distance agree with those derived from recent EXAFS measurements. In addition, information is obtained on the changes of Ga-Ga and Se-Se bond lengths which were not accessible to a direct experimental determination yet. Based on the optimized structural parameters, we report calculations of band gap changes of {epsilon}-GaSe under pressure. The optical response and electronic band structure of the metallic high-pressure phase of GaSe are discussed briefly. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Electronic structure investigation of MoS2 and MoSe2 using angle-resolved photoemission spectroscopy and ab initio band structure studies.

Science.gov (United States)

Mahatha, S K; Patel, K D; Menon, Krishnakumar S R

2012-11-28

Angle-resolved photoemission spectroscopy (ARPES) and ab initio band structure calculations have been used to study the detailed valence band structure of molybdenite, MoS(2) and MoSe(2). The experimental band structure obtained from ARPES has been found to be in good agreement with the theoretical calculations performed using the linear augmented plane wave (LAPW) method. In going from MoS(2) to MoSe(2), the dispersion of the valence bands decreases along both k(parallel) and k(perpendicular), revealing the increased two-dimensional character which is attributed to the increasing interlayer distance or c/a ratio in these compounds. The width of the valence band and the band gap are also found to decrease, whereas the valence band maxima shift towards the higher binding energy from MoS(2) to MoSe(2).

Soil hydraulic parameters and surface soil moisture of a tilled bare soil plot inversely derived from l-band brightness temperatures

KAUST Repository

Dimitrov, Marin

2014-01-01

We coupled a radiative transfer model and a soil hydrologic model (HYDRUS 1D) with an optimization routine to derive soil hydraulic parameters, surface roughness, and soil moisture of a tilled bare soil plot using measured brightness temperatures at 1.4 GHz (L-band), rainfall, and potential soil evaporation. The robustness of the approach was evaluated using five 28-d data sets representing different meteorological conditions. We considered two soil hydraulic property models: the unimodal Mualem-van Genuchten and the bimodal model of Durner. Microwave radiative transfer was modeled by three different approaches: the Fresnel equation with depth-averaged dielectric permittivity of either 2-or 5-cm-thick surface layers and a coherent radiative transfer model (CRTM) that accounts for vertical gradients in dielectric permittivity. Brightness temperatures simulated by the CRTM and the 2-cm-layer Fresnel model fitted well to the measured ones. L-band brightness temperatures are therefore related to the dielectric permittivity and soil moisture in a 2-cm-thick surface layer. The surface roughness parameter that was derived from brightness temperatures using inverse modeling was similar to direct estimates from laser profiler measurements. The laboratory-derived water retention curve was bimodal and could be retrieved consistently for the different periods from brightness temperatures using inverse modeling. A unimodal soil hydraulic property function underestimated the hydraulic conductivity near saturation. Surface soil moisture contents simulated using retrieved soil hydraulic parameters were compared with in situ measurements. Depth-specific calibration relations were essential to derive soil moisture from near-surface installed sensors. © Soil Science Society of America 5585 Guilford Rd., Madison, WI 53711 USA.

Band structure, band offsets, substitutional doping, and Schottky barriers of bulk and monolayer InSe

Science.gov (United States)

Guo, Yuzheng; Robertson, John

2017-09-01

We present a detailed study of the electronic structure of the layered semiconductor InSe. We calculate the band structure of the monolayer and bulk material using density functional theory, hybrid functionals, and G W . The band gap of the monolayer InSe is calculated to be 2.4 eV in screened exchange hybrid functional, close to the experimental photoluminescence gap. The electron affinities and band offsets are calculated for vertical stacked-layer heterostructures, and are found to be suitable for tunnel field effect transistors (TFETs) in combination with WS e2 or similar. The valence-band edge of InSe is calculated to lie 5.2 eV below the vacuum level, similar to that for the closed shell systems HfS e2 or SnS e2 . Hence InSe would be suitable to act as a p -type drain in the TFET. The intrinsic defects are calculated. For Se-rich layers, the Se adatom (interstitial) is found to be the most stable defect, whereas for In-rich layers, the Se vacancy is the most stable for the neutral state. Antisites tend to have energies just above those of vacancies. The Se antisite distorts towards a bond-breaking distortion as in the EL2 center of GaAs. Both substitutional donors and acceptors are calculated to be shallow, and effective dopants. They do not reconstruct to form nondoping configurations as occurs in black phosphorus. Finally, the Schottky barriers of metals on InSe are found to be strongly pinned by metal induced gap states (MIGS) at ˜0.5 eV above the valence-band edge. Any interfacial defects would lead to a stronger pinning at a similar energy. Overall, InSe is an effective semiconductor combining the good features of 2D (lack of dangling bonds, etc.) with the good features of 3D (effective doping), which few others achieve.

Three-dimensional magnetotelluric inversion in practice—the electrical conductivity structure of the San Andreas Fault in Central California

Science.gov (United States)

Tietze, Kristina; Ritter, Oliver

2013-10-01

3-D inversion techniques have become a widely used tool in magnetotelluric (MT) data interpretation. However, with real data sets, many of the controlling factors for the outcome of 3-D inversion are little explored, such as alignment of the coordinate system, handling and influence of data errors and model regularization. Here we present 3-D inversion results of 169 MT sites from the central San Andreas Fault in California. Previous extensive 2-D inversion and 3-D forward modelling of the data set revealed significant along-strike variation of the electrical conductivity structure. 3-D inversion can recover these features but only if the inversion parameters are tuned in accordance with the particularities of the data set. Based on synthetic 3-D data we explore the model space and test the impacts of a wide range of inversion settings. The tests showed that the recovery of a pronounced regional 2-D structure in inversion of the complete impedance tensor depends on the coordinate system. As interdependencies between data components are not considered in standard 3-D MT inversion codes, 2-D subsurface structures can vanish if data are not aligned with the regional strike direction. A priori models and data weighting, that is, how strongly individual components of the impedance tensor and/or vertical magnetic field transfer functions dominate the solution, are crucial controls for the outcome of 3-D inversion. If deviations from a prior model are heavily penalized, regularization is prone to result in erroneous and misleading 3-D inversion models, particularly in the presence of strong conductivity contrasts. A `good' overall rms misfit is often meaningless or misleading as a huge range of 3-D inversion results exist, all with similarly `acceptable' misfits but producing significantly differing images of the conductivity structures. Reliable and meaningful 3-D inversion models can only be recovered if data misfit is assessed systematically in the frequency

Energy band structure of Cr by the Slater-Koster interpolation scheme

International Nuclear Information System (INIS)

Seifu, D.; Mikusik, P.

1986-04-01

The matrix elements of the Hamiltonian between nine localized wave-functions in tight-binding formalism are derived. The symmetry adapted wave-functions and the secular equations are formed by the group theory method for high symmetry points in the Brillouin zone. A set of interaction integrals is chosen on physical ground and fitted via the Slater-Koster interpolation scheme to the abinito band structure of chromium calculated by the Green function method. Then the energy band structure of chromium is interpolated and extrapolated in the Brillouin zone. (author)

Morphology-Controlled Synthesis of Organometal Halide Perovskite Inverse Opals.

Science.gov (United States)

Chen, Kun; Tüysüz, Harun

2015-11-09

The booming development of organometal halide perovskites in recent years has prompted the exploration of morphology-control strategies to improve their performance in photovoltaic, photonic, and optoelectronic applications. However, the preparation of organometal halide perovskites with high hierarchical architecture is still highly challenging and a general morphology-control method for various organometal halide perovskites has not been achieved. A mild and scalable method to prepare organometal halide perovskites in inverse opal morphology is presented that uses a polystyrene-based artificial opal as hard template. Our method is flexible and compatible with different halides and organic ammonium compositions. Thus, the perovskite inverse opal maintains the advantage of straightforward structure and band gap engineering. Furthermore, optoelectronic investigations reveal that morphology exerted influence on the conducting nature of organometal halide perovskites. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic structure of the misfit layer compound (SnS)(1.20)TiS2 : Band structure calculations and photoelectron spectra

NARCIS (Netherlands)

Fang, CM; deGroot, RA; Wiegers, GA; Haas, C

1996-01-01

In order to understand the electronic structure of the incommensurate misfit layer compound (SnS)(1.20)TiS2 we carried out an ab initio band structure calculation in the supercell approximation. The band structure is compared with that of the components 1T-TiS2 and hypothetical SnS with a similar

Electronic structure of the misfit layer compound (SnS)1.20TiS2 : band structure calculations and photoelectron spectra

NARCIS (Netherlands)

Fang, C.M.; Groot, R.A. de; Wiegers, G.A.; Haas, C.

1996-01-01

In order to understand the electronic structure of the incommensurate misfit layer compound (SnS)1.20TiS2 we carried out an ab initio band structure calculation in the supercell approximation. The band structure is compared with that of the components 1T-TiS2 and hypothetical SnS with a similar

Seismic characteristics and identification of negative flower structures, positive flower structures, and positive structural inversion

Energy Technology Data Exchange (ETDEWEB)

Harding, T.P.

1985-04-01

Negative and positive flower structures and positive inverted structures imply specific modes of formation, and their distinctive characteristics make them important criteria for the identification of certain structural styles. A negative flower structure from the Andaman Sea consists of a shallow synform bounded by upward-spreading strands of a wrench fault that have mostly normal separations. Paralleling monoclines and oblique, en echelon normal faults flank the divergent wrench fault. A positive flower structure from the Ardmore basin, Oklahoma, consists of a shallow antiform displaced by the upward diverging strands of a wrench fault that have mostly reverse separations. En echelon folds are present on either side of this convergent wrench fault. Positive structural inversion at the Rambutan oil field, South Sumatra basin, has formed a shallow anticlinorium and has partly uplifted the underlying graben. Deeper fault segments bounding the graben have retained their normal fault profiles, but at shallow levels some of these faults have reverse separations.

Cherenkov oscillator operating at the second band gap of leakage waveguide structures

Directory of Open Access Journals (Sweden)

Kyu-Ha Jang

2016-10-01

Full Text Available An electromagnetic wave source operating around second band gaps of metallic grating structures is presented. The considered metallic grating structures are not perfect periodic but inhomogeneously structured within a period to have a second band gap where the wavelength is equal to the period of the structures. The radiation mechanism by an electron beam in the structures is different from the well-known Smith-Purcell radiation occurring in perfect periodic grating structures. That is, the radiating wave has a single frequency and the radiation is unidirectional. When the energy of the electron beam is synchronized at the standing wave point in the dispersion curves, strong interaction happens and coherent radiation perpendicular to the grating surface is generated with relatively lower starting oscillation current.

The band gap variation of a two dimensional binary locally resonant structure in thermal environment

Directory of Open Access Journals (Sweden)

Zhen Li

2017-01-01

Full Text Available In this study, the numerical investigation of thermal effect on band gap dynamical characteristic for a two-dimensional binary structure composed of aluminum plate periodically filled with nitrile rubber cylinder is presented. Initially, the band gap of the binary structure variation trend with increasing temperature is studied by taking the softening effect of thermal stress into account. A breakthrough is made which found the band gap being narrower and shifting to lower frequency in thermal environment. The complete band gap which in higher frequency is more sensitive to temperature that it disappears with temperature increasing. Then some new transformed models are created by changing the height of nitrile rubber cylinder from 1mm to 7mm. Simulations show that transformed model can produce a wider band gap (either flexure or complete band gap. A proper forbidden gap of elastic wave can be utilized in thermal environment although both flexure and complete band gaps become narrower with temperature. Besides that, there is a zero-frequency flat band appearing in the first flexure band, and it becomes broader with temperature increasing. The band gap width decreases trend in thermal environment, as well as the wider band gap induced by the transformed model with higher nitrile rubber cylinder is useful for the design and application of phononic crystal structures in thermal environment.

Generalized inverses theory and computations

CERN Document Server

Wang, Guorong; Qiao, Sanzheng

2018-01-01

This book begins with the fundamentals of the generalized inverses, then moves to more advanced topics. It presents a theoretical study of the generalization of Cramer's rule, determinant representations of the generalized inverses, reverse order law of the generalized inverses of a matrix product, structures of the generalized inverses of structured matrices, parallel computation of the generalized inverses, perturbation analysis of the generalized inverses, an algorithmic study of the computational methods for the full-rank factorization of a generalized inverse, generalized singular value decomposition, imbedding method, finite method, generalized inverses of polynomial matrices, and generalized inverses of linear operators. This book is intended for researchers, postdocs, and graduate students in the area of the generalized inverses with an undergraduate-level understanding of linear algebra.

ELECTRONIC-STRUCTURE OF THE MISFIT-LAYER COMPOUND (SNS)(1.17)NBS2 DEDUCED FROM BAND-STRUCTURE CALCULATIONS AND PHOTOELECTRON-SPECTRA

NARCIS (Netherlands)

FANG, CM; ETTEMA, ARHF; HAAS, C; WIEGERS, GA; VANLEUKEN, H; DEGROOT, RA

1995-01-01

In order to understand the electronic structure of the misfit-layer compound (SnS)(1.17)NbS2 we carried out an ab initio band-structure calculation of the closely related commensurate compound (SnS)(1.20)NbS2. The band structure is compared with calculations for NbS2 and for hypothetical SnS with

Results from the CLIC X-Band Structure Test Program at NLCTA

International Nuclear Information System (INIS)

Adolphsen, C.

2009-01-01

As part of a SLAC-CERN-KEK collaboration on high gradient X-band structure research, several prototype structures for the CLIC linear collider study have been tested using two of the high power (300 MW) X-band rf stations in the NLCTA facility at SLAC. These structures differ in terms of their fabrication (brazed disks and clamped quadrants), gradient profile (amount by which the gradient increases along the structure, which optimizes efficiency and maximizes sustainable gradient) and HOM damping (use of slots or waveguides to rapidly dissipate dipole mode energy). The CLIC goal in the next few years is to demonstrate the feasibility of a CLIC-ready baseline design and to investigate alternatives that could increase efficiency. This paper summarizes the high gradient test results from NLCTA in support of this effort.

Acoustic 2D full waveform inversion to solve gas cloud challenges

Directory of Open Access Journals (Sweden)

Srichand Prajapati

2015-09-01

Full Text Available The existing conventional inversion algorithm does not provide satisfactory results due to the complexity of propagated wavefield though the gas cloud. Acoustic full waveform inversion has been developed and applied to a realistic synthetic offshore shallow gas cloud feature with Student-t approach, with and without simultaneous sources encoding. As a modeling operator, we implemented the grid based finite-difference method in frequency domain using second order elastic wave equation. Jacobin operator and its adjoint provide a necessary platform for solving full waveform inversion problem in a reduced Hessian matrix. We invert gas cloud model in 5 frequency band selected from 1 to 12 Hz, each band contains 3 frequencies. The inversion results are highly sensitive to the misfit. The model allows better convergence and recovery of amplitude losses. This approach gives better resolution then the existing least-squares approach. In this paper, we implement the full waveform inversion for low frequency model with minimum number of iteration providing a better resolution of inversion results.

Doping-dependent quasiparticle band structure in cuprate superconductors

NARCIS (Netherlands)

Eder, R; Ohta, Y.; Sawatzky, G.A

1997-01-01

We present an exact diagonalization study of the single-particle spectral function in the so-called t-t'-t ''-J model in two dimensions. As a key result, we find that hole doping leads to a major reconstruction of the quasiparticle band structure near (pi,0): whereas for the undoped system the

Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

Science.gov (United States)

Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan

2015-01-01

The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO2), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO2 has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance.

Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

International Nuclear Information System (INIS)

Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan

2015-01-01

The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO 2 ), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO 2 has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance

The use of Wannier function in the calculations of band structure of covalent crystals

International Nuclear Information System (INIS)

Lu Dong; Yang Guang

1985-10-01

A variational procedure has been used to build up Wannier functions to study the energy bands of diamond, silicon and α-tin. For the case of silicon the Wannier function, density of charge and band structure are calculated self-consistently and a simple method in a non-self-consistent way has been used to compute the band structure of diamond, silicon and α-tin. The method seems to be effective to describe the electronic properties of covalent crystals. (author)

Degenerate band edge laser

Science.gov (United States)

Veysi, Mehdi; Othman, Mohamed A. K.; Figotin, Alexander; Capolino, Filippo

2018-05-01

We propose a class of lasers based on a fourth-order exceptional point of degeneracy (EPD) referred to as the degenerate band edge (DBE). EPDs have been found in parity-time-symmetric photonic structures that require loss and/or gain; here we show that the DBE is a different kind of EPD since it occurs in periodic structures that are lossless and gainless. Because of this property, a small level of gain is sufficient to induce single-frequency lasing based on a synchronous operation of four degenerate Floquet-Bloch eigenwaves. This lasing scheme constitutes a light-matter interaction mechanism that leads also to a unique scaling law of the laser threshold with the inverse of the fifth power of the laser-cavity length. The DBE laser has the lowest lasing threshold in comparison to a regular band edge laser and to a conventional laser in cavities with the same loaded quality (Q ) factor and length. In particular, even without mirror reflectors the DBE laser exhibits a lasing threshold which is an order of magnitude lower than that of a uniform cavity laser of the same length and with very high mirror reflectivity. Importantly, this novel DBE lasing regime enforces mode selectivity and coherent single-frequency operation even for pumping rates well beyond the lasing threshold, in contrast to the multifrequency nature of conventional uniform cavity lasers.

Measurement of valence band structure in arbitrary dielectric films

International Nuclear Information System (INIS)

Uhm, Han S.; Choi, Eun H.

2012-01-01

A new way of measuring the band structure of various dielectric materials using the secondary electron emission from Auger neutralization of ions is introduced. The first example of this measurement scheme is the magnesium oxide (MgO) films with respect to the application of the films in the display industries. The density of state in the valence bands of MgO film and MgO film with a functional layer (FL) deposited over a dielectric surface reveals that the density peak of film with a FL is considerably less than that of film, thereby indicating a better performance of MgO film with functional layer in display devices. The second example of the measurement is the boron-zinc oxide (BZO) films with respect to the application of the films to the development of solar cells. The measurement of density of state in BZO film suggests that a high concentration of boron impurity in BZO films may enhance the transition of electrons and holes through the band gap from the valence to the conduction band in zinc oxide crystals; thereby improving the conductivity of the film. Secondary electron emission by the Auger neutralization of ions is highly instrumental for the determination of the density of states in the valence band of dielectric materials.

QUANTITATIVE ANALYSIS OF BANDED STRUCTURES IN DUAL-PHASE STEELS

Directory of Open Access Journals (Sweden)

Benoit Krebs

2011-05-01

Full Text Available Dual-Phase (DP steels are composed of martensite islands dispersed in a ductile ferrite matrix, which provides a good balance between strength and ductility. Current processing conditions (continuous casting followed by hot and cold rolling generate 'banded structures' i.e., irregular, parallel and alternating bands of ferrite and martensite, which are detrimental to mechanical properties and especially for in-use properties. We present an original and simple method to quantify the intensity and wavelength of these bands. This method, based on the analysis of covariance function of binary images, is firstly tested on model images. It is compared with ASTM E-1268 standard and appears to be more robust. Then it is applied on real DP steel microstructures and proves to be sufficiently sensitive to discriminate samples resulting from different thermo-mechanical routes.

Quasiparticle semiconductor band structures including spin-orbit interactions.

Science.gov (United States)

Malone, Brad D; Cohen, Marvin L

2013-03-13

We present first-principles calculations of the quasiparticle band structure of the group IV materials Si and Ge and the group III-V compound semiconductors AlP, AlAs, AlSb, InP, InAs, InSb, GaP, GaAs and GaSb. Calculations are performed using the plane wave pseudopotential method and the 'one-shot' GW method, i.e. G(0)W(0). Quasiparticle band structures, augmented with the effects of spin-orbit, are obtained via a Wannier interpolation of the obtained quasiparticle energies and calculated spin-orbit matrix. Our calculations explicitly treat the shallow semicore states of In and Ga, which are known to be important in the description of the electronic properties, as valence states in the quasiparticle calculation. Our calculated quasiparticle energies, combining both the ab initio evaluation of the electron self-energy and the vector part of the pseudopotential representing the spin-orbit effects, are in generally very good agreement with experimental values. These calculations illustrate the predictive power of the methodology as applied to group IV and III-V semiconductors.

Band structure in Platinum nuclei (A ∼ 182)

International Nuclear Information System (INIS)

Popescu, D.G.

1991-01-01

In this thesis, the author studies the band structure in Platinum nuclei and has divided his work in 5 parts: in the first, the author makes a general presentation of nucleus physics with a high angular momentum and introduces to the deformed nucleus notion -axial, triaxial or mixing of different deformations. The notion of form co-existence will be used to interpret the experimental results. In the second part, the author describes the detection means which have been used to make measurements. An abstract of theoretical notions, usefull for the understanding of fusion-evaporation reaction is presented. The author explains the details, performances and different modes of using of 'Chateau de cristal' and others used spectrometers. In the third part, the author presents all experimental data. He has effected γ coincidence measurements for Pt, Au and Ir nuclei. In the fourth part, for a classical analysis or an interpretation in the frame of cranking model the author presents theoretical models which are adapted at the study of high spin states and band structures

Band structures of two dimensional solid/air hierarchical phononic crystals

International Nuclear Information System (INIS)

Xu, Y.L.; Tian, X.G.; Chen, C.Q.

2012-01-01

The hierarchical phononic crystals to be considered show a two-order “hierarchical” feature, which consists of square array arranged macroscopic periodic unit cells with each unit cell itself including four sub-units. Propagation of acoustic wave in such two dimensional solid/air phononic crystals is investigated by the finite element method (FEM) with the Bloch theory. Their band structure, wave filtering property, and the physical mechanism responsible for the broadened band gap are explored. The corresponding ordinary phononic crystal without hierarchical feature is used for comparison. Obtained results show that the solid/air hierarchical phononic crystals possess tunable outstanding band gap features, which are favorable for applications such as sound insulation and vibration attenuation.

Band structures of two dimensional solid/air hierarchical phononic crystals

Energy Technology Data Exchange (ETDEWEB)

Xu, Y.L.; Tian, X.G. [State Key Laboratory for Mechanical Structure Strength and Vibration, Xi' an Jiaotong University, Xi' an 710049 (China); Chen, C.Q., E-mail: chencq@tsinghua.edu.cn [Department of Engineering Mechanics, AML and CNMM, Tsinghua University, Beijing 100084 (China)

2012-06-15

The hierarchical phononic crystals to be considered show a two-order 'hierarchical' feature, which consists of square array arranged macroscopic periodic unit cells with each unit cell itself including four sub-units. Propagation of acoustic wave in such two dimensional solid/air phononic crystals is investigated by the finite element method (FEM) with the Bloch theory. Their band structure, wave filtering property, and the physical mechanism responsible for the broadened band gap are explored. The corresponding ordinary phononic crystal without hierarchical feature is used for comparison. Obtained results show that the solid/air hierarchical phononic crystals possess tunable outstanding band gap features, which are favorable for applications such as sound insulation and vibration attenuation.

On The Structure of The Inverse of a Linear Constant Multivariable ...

African Journals Online (AJOL)

On The Structure of The Inverse of a Linear Constant Multivariable System. ... It is shown that the use of this representation has certain advantages in the design of multivariable feedback systems. typical examples were considered to indicate the corresponding application. Keywords: Stability Functions, multivariable ...

Ultra wide band antennas

CERN Document Server

Begaud, Xavier

2013-01-01

Ultra Wide Band Technology (UWB) has reached a level of maturity that allows us to offer wireless links with either high or low data rates. These wireless links are frequently associated with a location capability for which ultimate accuracy varies with the inverse of the frequency bandwidth. Using time or frequency domain waveforms, they are currently the subject of international standards facilitating their commercial implementation. Drawing up a complete state of the art, Ultra Wide Band Antennas is aimed at students, engineers and researchers and presents a summary of internationally recog

Valley-dependent band structure and valley polarization in periodically modulated graphene

Science.gov (United States)

Lu, Wei-Tao

2016-08-01

The valley-dependent energy band and transport property of graphene under a periodic magnetic-strained field are studied, where the time-reversal symmetry is broken and the valley degeneracy is lifted. The considered superlattice is composed of two different barriers, providing more degrees of freedom for engineering the electronic structure. The electrons near the K and K' valleys are dominated by different effective superlattices. It is found that the energy bands for both valleys are symmetric with respect to ky=-(AM+ξ AS) /4 under the symmetric superlattices. More finite-energy Dirac points, more prominent collimation behavior, and new crossing points are found for K' valley. The degenerate miniband near the K valley splits into two subminibands and produces a new band gap under the asymmetric superlattices. The velocity for the K' valley is greatly renormalized compared with the K valley, and so we can achieve a finite velocity for the K valley while the velocity for the K' valley is zero. Especially, the miniband and band gap could be manipulated independently, leading to an increase of the conductance. The characteristics of the band structure are reflected in the transmission spectra. The Dirac points and the crossing points appear as pronounced peaks in transmission. A remarkable valley polarization is obtained which is robust to the disorder and can be controlled by the strain, the period, and the voltage.

Photonic crystals based on opals and inverse opals: synthesis and structural features

International Nuclear Information System (INIS)

Klimonsky, S O; Abramova, Vera V; Sinitskii, Alexander S; Tretyakov, Yuri D

2011-01-01

Methods of synthesis of photonic crystals based on opals and inverse opals are considered. Their structural features are discussed. Data on different types of structural defects and their influence on the optical properties of opaline materials are systematized. The possibilities of investigation of structural defects by optical spectroscopy, electron microscopy, microradian X-ray diffraction, laser diffraction and using an analysis of Kossel ring patterns are described. The bibliography includes 253 references.

Male infertility associated with de novo pericentric inversion of chromosome 1.

Science.gov (United States)

Balasar, Özgür; Zamani, Ayşe Gül; Balasar, Mehmet; Acar, Hasan

2017-12-01

Inversion occurs after two breaks in a chromosome have happened and the segment rotates 180° before reinserting. Inversion carriers have produced abnormal gametes if there is an odd number crossing- over between the inverted and the normal homologous chromosomes causing a duplication or deletion. Reproductive risks such as infertility, abortion, stillbirth and birth of malformed child would be expected in that case. A 54-year- old male patient was consulted to our clinic for primary infertility. The routine chromosome study were applied using peripheral blood lymphocyte cultures and analyzed by giemsa-trypsin-giemsa (GTG) banding, and centromer banding (C-banding) stains. Y chromosome microdeletions in the azoospermia factor (AZF) regions were analyzed with polymerase chain reaction. Additional test such as fluorescence in situ hybridization (FISH) was used to detect the sex-determining region of the Y chromosome (SRY). Semen analysis showed azoospermia. A large pericentric inversion of chromosome 1 46,XY, inv(1) (p22q32) was found in routine chromosome analysis. No microdeletions were seen in AZF regions. In our patient the presence of SRY region was observed by using FISH technique with SRY-specific probe. Men who have pericentric inversion of chromosome 1, appear to be at risk for infertility brought about by spermatogenic breakdown. The etiopathogenic relationship between azoospermia and pericentric inversion of chromosome 1 is discussed.

Imaging the Earth's anisotropic structure with Bayesian Inversion of fundamental and higher mode surface-wave dispersion data

Science.gov (United States)

Ravenna, Matteo; Lebedev, Sergei; Celli, Nicolas

2017-04-01

We develop a Markov Chain Monte Carlo inversion of fundamental and higher mode phase-velocity curves for radially and azimuthally anisotropic structure of the crust and upper mantle. In the inversions of Rayleigh- and Love-wave dispersion curves for radially anisotropic structure, we obtain probabilistic 1D radially anisotropic shear-velocity profiles of the isotropic average Vs and anisotropy (or Vsv and Vsh) as functions of depth. In the inversions for azimuthal anisotropy, Rayleigh-wave dispersion curves at different azimuths are inverted for the vertically polarized shear-velocity structure (Vsv) and the 2-phi component of azimuthal anisotropy. The strength and originality of the method is in its fully non-linear approach. Each model realization is computed using exact forward calculations. The uncertainty of the models is a part of the output. In the inversions for azimuthal anisotropy, in particular, the computation of the forward problem is performed separately at different azimuths, with no linear approximations on the relation of the Earth's elastic parameters to surface wave phase velocities. The computations are performed in parallel in order reduce the computing time. We compare inversions of the fundamental mode phase-velocity curves alone with inversions that also include overtones. The addition of higher modes enhances the resolving power of the anisotropic structure of the deep upper mantle. We apply the inversion method to phase-velocity curves in a few regions, including the Hangai dome region in Mongolia. Our models provide constraints on the Moho depth, the Lithosphere-Asthenosphere Boundary, and the alignment of the anisotropic fabric and the direction of current and past flow, from the crust down to the deep asthenosphere.

Engineering the electronic band structures of novel cubic structured germanium monochalcogenides for thermoelectric applications

Science.gov (United States)

Ul Haq, Bakhtiar; AlFaify, S.; Ahmed, R.; Butt, Faheem K.; Laref, A.; Goumri-Said, Souraya; Tahir, S. A.

2018-05-01

Germanium mono-chalcogenides have received considerable attention for being a promising replacement for the relatively toxic and expensive chalcogenides in renewable and sustainable energy applications. In this paper, we explore the potential of the recently discovered novel cubic structured (π-phase) GeS and GeSe for thermoelectric applications in the framework of density functional theory coupled with Boltzmann transport theory. To examine the modifications in their physical properties, the across composition alloying of π-GeS and π-GeSe (such as π-GeS1-xSex for x =0, 0.25, 0.50, 0.75, and 1) has been performed that has shown important effects on the electronic band structures and effective masses of charge carriers. An increase in Se composition in π-GeS1-xSex has induced a downward shift in their conduction bands, resulting in the narrowing of their energy band gaps. The thermoelectric coefficients of π-GeS1-xSex have been accordingly influenced by the evolution of the electronic band structures and effective masses of charge carriers. π-GeS1-xSex features sufficiently larger values of Seebeck coefficients, power factors and figures of merit (ZTs), which experience further improvement with an increase in temperature, revealing their potential for high-temperature applications. The calculated results show that ZT values equivalent to unity can be achieved for π-GeS1-xSex at appropriate n-type doping levels. Our calculations for the formation enthalpies indicate that a π-GeS1-xSex alloying system is energetically stable and could be synthesized experimentally. These intriguing characteristics make π-GeS1-xSex a promising candidate for futuristic thermoelectric applications in energy harvesting devices.

Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

Energy Technology Data Exchange (ETDEWEB)

Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan, E-mail: alan.doolittle@ece.gatech.edu [Department of Electrical and Computer Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States)

2015-01-21

The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO{sub 2}), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO{sub 2} has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance.

Estimating tropical forest structure using LIDAR AND X-BAND INSAR

Science.gov (United States)

Palace, M. W.; Treuhaft, R. N.; Keller, M. M.; Sullivan, F.; Roberto dos Santos, J.; Goncalves, F. G.; Shimbo, J.; Neumann, M.; Madsen, S. N.; Hensley, S.

2013-12-01

Tropical forests are considered the most structurally complex of all forests and are experiencing rapid change due to anthropogenic and climatic factors. The high carbon stocks and fluxes make understanding tropical forests highly important to both regional and global studies involving ecosystems and climate. Large and remote areas in the tropics are prime targets for the use of remotely sensed data. Radar and lidar have previously been used to estimate forest structure, with an emphasis on biomass. These two remote sensing methods have the potential to yield much more information about forest structure, specifically through the use of X-band radar and waveform lidar data. We examined forest structure using both field-based and remotely sensed data in the Tapajos National Forest, Para, Brazil. We measured multiple structural parameters for about 70 plots in the field within a 25 x 15 km area that have TanDEM-X single-pass horizontally and vertically polarized radar interferometric data. High resolution airborne lidar were collected over a 22 sq km portion of the same area, within which 33 plots were co-located. Preliminary analyses suggest that X-band interferometric coherence decreases by about a factor of 2 (from 0.95 to 0.45) with increasing field-measured vertical extent (average heights of 7-25 m) and biomass (10-430 Mg/ha) for a vertical wavelength of 39 m, further suggesting, as has been observed at C-band, that interferometric synthetic aperture radar (InSAR) is substantially more sensitive to forest structure/biomass than SAR. Unlike InSAR coherence versus biomass, SAR power at X-band versus biomass shows no trend. Moreover, airborne lidar coherence at the same vertical wavenumbers as InSAR is also shown to decrease as a function of biomass, as well. Although the lidar coherence decrease is about 15% more than the InSAR, implying that lidar penetrates more than InSAR, these preliminary results suggest that X-band InSAR may be useful for structure and

Monolithic dual-band HgCdTe infrared detector structure

CSIR Research Space (South Africa)

Parish, G

1997-07-01

Full Text Available A monolithic HgCdTe photoconductive device structure is presented that is suitable for dual-band optically registered infrared photodetection in the two atmospheric transmission windows of 3-5 mu m and 8-12 mu m, which correspond to the mid...

Inversion for atmosphere duct parameters using real radar sea clutter

International Nuclear Information System (INIS)

Sheng Zheng; Fang Han-Xian

2012-01-01

This paper addresses the problem of estimating the lower atmospheric refractivity (M profile) under nonstandard propagation conditions frequently encountered in low altitude maritime radar applications. The vertical structure of the refractive environment is modeled using five parameters and the horizontal structure is modeled using five parameters. The refractivity model is implemented with and without a priori constraint on the duct strength as might be derived from soundings or numerical weather-prediction models. An electromagnetic propagation model maps the refractivity structure into a replica field. Replica fields are compared with the observed clutter using a squared-error objective function. A global search for the 10 environmental parameters is performed using genetic algorithms. The inversion algorithm is implemented on the basis of S-band radar sea-clutter data from Wallops Island, Virginia (SPANDAR). Reference data are from range-dependent refractivity profiles obtained with a helicopter. The inversion is assessed (i) by comparing the propagation predicted from the radar-inferred refractivity profiles with that from the helicopter profiles, (ii) by comparing the refractivity parameters from the helicopter soundings with those estimated. This technique could provide near-real-time estimation of ducting effects. (geophysics, astronomy, and astrophysics)

Band Structure Analysis of La0.7Sr0.3MnO3 Perovskite Manganite Using a Synchrotron

Directory of Open Access Journals (Sweden)

Hong-Sub Lee

2015-01-01

Full Text Available Oxide semiconductors and their application in next-generation devices have received a great deal of attention due to their various optical, electric, and magnetic properties. For various applications, an understanding of these properties and their mechanisms is also very important. Various characteristics of these oxides originate from the band structure. In this study, we introduce a band structure analysis technique using a soft X-ray energy source to study a La0.7Sr0.3MnO3 (LSMO oxide semiconductor. The band structure is formed by a valence band, conduction band, band gap, work function, and electron affinity. These can be determined from secondary electron cut-off, valence band spectrum, O 1s core electron, and O K-edge measurements using synchrotron radiation. A detailed analysis of the band structure of the LSMO perovskite manganite oxide semiconductor thin film was established using these techniques.

Metal-like Band Structures of Ultrathin Si {111} and {112} Surface Layers Revealed through Density Functional Theory Calculations.

Science.gov (United States)

Tan, Chih-Shan; Huang, Michael H

2017-09-04

Density functional theory calculations have been performed on Si (100), (110), (111), and (112) planes with tunable number of planes for evaluation of their band structures and density of states profiles. The purpose is to see whether silicon can exhibit facet-dependent properties derived from the presence of a thin surface layer having different band structures. No changes have been observed for single to multiple layers of Si (100) and (110) planes with a consistent band gap between the valence band and the conduction band. However, for 1, 2, 4, and 5 Si (111) and (112) planes, metal-like band structures were obtained with continuous density of states going from the valence band to the conduction band. For 3, 6, and more Si (111) planes, as well as 3 and 6 Si (112) planes, the same band structure as that seen for Si (100) and (110) planes has been obtained. Thus, beyond a layer thickness of five Si (111) planes at ≈1.6 nm, normal semiconductor behavior can be expected. The emergence of metal-like band structures for the Si (111) and (112) planes are related to variation in Si-Si bond length and bond distortion plus 3s and 3p orbital electron contributions in the band structure. This work predicts possession of facet-dependent electrical properties of silicon with consequences in FinFET transistor design. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical study of band structure of odd-mass {sup 115,117}I isotopes

Energy Technology Data Exchange (ETDEWEB)

Singh, Dhanvir, E-mail: singh1472phy@gmail.com; Kumar, Amit, E-mail: akbcw2@gmail.com; Sharma, Chetan, E-mail: chetan24101985@gmail.com [Research Scholar, Department of Physics and Electronics, University of Jammu, Jammu-180006 (India); Singh, Suram, E-mail: suramsingh@gmail.com [Assistant Professor, Department of Physics, Govt. Degree College, Kathua-184101 (India); Bharti, Arun, E-mail: arunbharti-2003@yahoo.co.in [Professor, Department of Physics and Electronics, University of Jammu, Jammu-180006 (India)

2016-05-06

By using the microscopic approach of Projected Shell Model (PSM), negative-parity band structures of odd mass neutron-rich {sup 115,117}I nuclei have been studied with the deformed single-particle states generated by the standard Nilsson potential. For these isotopes, the band structures have been analyzed in terms of quasi-particles configurations. The phenomenon of back bending in moment of inertia is also studied in the present work.

Density Functional Theory Calculations Revealing Metal-like Band Structures for Ultrathin Ge {111} and {211} Surface Layers.

Science.gov (United States)

Tan, Chih-Shan; Huang, Michael Hsuan-Yi

2018-05-21

To find out if germanium should also possess facet-dependent electrical conductivity properties, surface state density functional theory (DFT) calculations were performed on 1-6 layers of Ge (100), (110), (111), and (211) planes. Tunable Ge (100) and (110) planes always present the same semiconducting band structure with a band gap of 0.67 eV expected of bulk germanium. In contrast, 1, 2, 4, and 5 layers of Ge (111) and (211) plane models show metal-like band structures with continuous density of states (DOS) throughout the entire band. For 3 and 6 layers of Ge (111) and (211) plane models, the normal semiconducting band structure was obtained. The plane layers with metal-like band structures also show Ge-Ge bond length deviations and bond distortions, as well as significantly different 4s and 4p frontier orbital electron count and their relative percentages integrated over the valence and conduction bands from those of the semiconducting state. These differences should contribute to strikingly dissimilar band structures. The calculation results suggest observation of facet-dependent electrical conductivity properties of germanium materials, and transistors made of germanium may also need to consider the facet effects with shrinking dimensions approaching 3 nm. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Variational structure of inverse problems in wave propagation and vibration

Energy Technology Data Exchange (ETDEWEB)

Berryman, J.G.

1995-03-01

Practical algorithms for solving realistic inverse problems may often be viewed as problems in nonlinear programming with the data serving as constraints. Such problems are most easily analyzed when it is possible to segment the solution space into regions that are feasible (satisfying all the known constraints) and infeasible (violating some of the constraints). Then, if the feasible set is convex or at least compact, the solution to the problem will normally lie on the boundary of the feasible set. A nonlinear program may seek the solution by systematically exploring the boundary while satisfying progressively more constraints. Examples of inverse problems in wave propagation (traveltime tomography) and vibration (modal analysis) will be presented to illustrate how the variational structure of these problems may be used to create nonlinear programs using implicit variational constraints.

Infrared absorption, multiphonon processes and time reversal effect on Si and Ge band structure

International Nuclear Information System (INIS)

Kunert, H.W.; Machatine, A.G.J.; Malherbe, J.B.; Barnas, J.; Hoffmann, A.; Wagner, M.R.

2008-01-01

We have examined the effect of Time Reversal Symmetry (TRS) on vibrational modes and on the electronic band structure of Si and Ge. Most of the primary non-interacting modes are not affected by TRS. Only phonons originating from high symmetry lines S and A of the Brillouin Zone (BZ) indicate extra degeneracy. Selection rules for some two and three phonons originating from high symmetry lines are determined. The states of electrons and holes described by electronic band structure due to spin-inclusion are assigned by spinor representations of the double space group. Inclusion of the TRS into the band structure results in extra degeneracy of electrons and holes, and therefore optical selection rules suppose to be modified

X-BAND LINEAR COLLIDER R and D IN ACCELERATING STRUCTURES THROUGH ADVANCED COMPUTING

International Nuclear Information System (INIS)

Li, Z

2004-01-01

This paper describes a major computational effort that addresses key design issues in the high gradient accelerating structures for the proposed X-band linear collider, GLC/NLC. Supported by the US DOE's Accelerator Simulation Project, SLAC is developing a suite of parallel electromagnetic codes based on unstructured grids for modeling RF structures with higher accuracy and on a scale previously not possible. The new simulation tools have played an important role in the R and D of X-Band accelerating structures, in cell design, wakefield analysis and dark current studies

Red photoluminescent property and modification of WO3:Eu3+ inverse opal for blue light converted LEDs

Science.gov (United States)

Ruan, Jiufeng; Yang, Zhengwen; Huang, Anjun; Chai, Zhuangzhuang; Qiu, Jianbei; Song, Zhiguo

2018-01-01

Blue light converted light-emitting diodes is of great significance as a candidate for next generation lighting. In this work, the WO3:Eu3+ inverse opal photonic crystals were prepared and their luminescence properties were studied. The results demonstrated that the main excitation peak of WO3:Eu3+ inverse opals were located at 465 nm. The red luminescence peak at the 613 nm was observed in the WO3:Eu3+ inverse opal upon 465 nm excitation, exhibiting better red color purity. The influence of photonic band gap on the photoluminescence of WO3:Eu3+ inverse opal was obtained. When the red luminescence peak is in the regions of the photonic band gap and the edge of the band-gap, the red luminescence suppression and enhancement was observed respectively. The WO3:Eu3+ inverse opals may be a promising candidate for the blue light converted LEDs.

Seismic velocity structure of the forearc in northern Cascadia from Bayesian inversion of teleseismic data

Science.gov (United States)

Gosselin, J.; Audet, P.; Schaeffer, A. J.

2017-12-01

The seismic velocity structure in the forearc of subduction zones provides important constraints on material properties, with implications for seismogenesis. In Cascadia, previous studies have imaged a downgoing low-velocity zone (LVZ) characterized by an elevated P-to-S velocity ratio (Vp/Vs) down to 45 km depth, near the intersection with the mantle wedge corner, beyond which the signature of the LVZ disappears. These results, combined with the absence of a "normal" continental Moho, indicate that the down-going oceanic crust likely carries large amounts of overpressured free fluids that are released downdip at the onset of crustal eclogitization, and are further stored in the mantle wedge as serpentinite. These overpressured free fluids affect the stability of the plate interface and facilitate slow slip. These results are based on the inversion and migration of scattered teleseismic data for individual layer properties; a methodology which suffers from regularization and smoothing, non-uniqueness, and does not consider model uncertainty. This study instead applies trans-dimensional Bayesian inversion of teleseismic data collected in the forearc of northern Cascadia (the CAFÉ experiment in northern Washington) to provide rigorous, quantitative estimates of local velocity structure, and associated uncertainties (particularly Vp/Vs structure and depth to the plate interface). Trans-dimensional inversion is a generalization of fixed-dimensional inversion that includes the number (and type) of parameters required to describe the velocity model (or data error model) as unknown in the problem. This allows model complexity to be inherently determined by data information content, not by subjective regularization. The inversion is implemented here using the reversible-jump Markov chain Monte Carlo algorithm. The result is an ensemble set of candidate velocity-structure models which approximate the posterior probability density (PPD) of the model parameters. The solution

From lattice Hamiltonians to tunable band structures by lithographic design

Science.gov (United States)

Tadjine, Athmane; Allan, Guy; Delerue, Christophe

2016-08-01

Recently, new materials exhibiting exotic band structures characterized by Dirac cones, nontrivial flat bands, and band crossing points have been proposed on the basis of effective two-dimensional lattice Hamiltonians. Here, we show using atomistic tight-binding calculations that these theoretical predictions could be experimentally realized in the conduction band of superlattices nanolithographed in III-V and II-VI semiconductor ultrathin films. The lithographed patterns consist of periodic lattices of etched cylindrical holes that form potential barriers for the electrons in the quantum well. In the case of honeycomb lattices, the conduction minibands of the resulting artificial graphene host several Dirac cones and nontrivial flat bands. Similar features, but organized in different ways, in energy or in k -space are found in kagome, distorted honeycomb, and Lieb superlattices. Dirac cones extending over tens of meV could be obtained in superlattices with reasonable sizes of the lithographic patterns, for instance in InAs/AlSb heterostructures. Bilayer artificial graphene could be also realized by lithography of a double quantum-well heterostructure. These new materials should be interesting for the experimental exploration of Dirac-based quantum systems, for both fundamental and applied physics.

Photonic band gaps of porous solids

International Nuclear Information System (INIS)

Biswas, R.; Sigalas, M. M.; Subramania, G.; Soukoulis, C. M.; Ho, K.-M.

2000-01-01

Colloidal inverse photonic crystals composed of ordered lattices of air spheres in a high dielectric background are found to have three-dimensional photonic gaps for face-centered cubic, hexgaonal close-packed, and double hexagonal close-packed stacking sequences. Conditions for the occurrence of the complete gap are a sufficient dielectric contrast and a geometry near close packed. Although the lower pseudogaps of these stacking sequences differ, the lowest stop band in the stacking direction is insensitive to the stacking sequence; hence their experimental reflection should be similar. Transmission calculations with structural disorder show the lower pseudogap is relatively unaffected but the higher gap is very difficult to observe with moderate disorder. (c) 2000 The American Physical Society

An open-structure sound insulator against low-frequency and wide-band acoustic waves

Science.gov (United States)

Chen, Zhe; Fan, Li; Zhang, Shu-yi; Zhang, Hui; Li, Xiao-juan; Ding, Jin

2015-10-01

To block sound, i.e., the vibration of air, most insulators are based on sealed structures and prevent the flow of the air. In this research, an acoustic metamaterial adopting side structures, loops, and labyrinths, arranged along a main tube, is presented. By combining the accurately designed side structures, an extremely wide forbidden band with a low cut-off frequency of 80 Hz is produced, which demonstrates a powerful low-frequency and wide-band sound insulation ability. Moreover, by virtue of the bypass arrangement, the metamaterial is based on an open structure, and thus air flow is allowed while acoustic waves can be insulated.

Band structures of phononic crystal composed of lattices with different periodic constants

International Nuclear Information System (INIS)

Hu, Jia-Guang; Xu, Wen

2014-01-01

With a square lattice mercury and water system being as the model, the band structures of nesting and compound phononic crystals with two different lattice constants were investigated using the method of the supercell plane wave expansion. It was observed that large band gaps can be achieved in low frequency regions by adjusting one of the lattice constants. Meanwhile, effects similar to interstitial impurity defects can be achieved with the increase of lattice constant of the phononic crystal. The corresponding defect modes can be stimulated in band gaps. The larger the lattice constant, the stronger the localization effect of defect modes on the wave. In addition, the change of the filling fraction of impurity exerts great influence on the frequency and localization of defect modes. Furthermore, the change of the position of impurity has notable influence on the frequency of defect modes and their localization. However, the geometry structure and orientation of impurity have little effect on the frequency of defect modes and their localization in the band gap.

Electrical properties and band structures of Pb1-x Snx Te alloys

International Nuclear Information System (INIS)

Ocio, Miguel

1972-01-01

Both p type alloys Pb 0.72 Sn 0.28 Te and Pb 0.53 Sn 0.47 Te have been studied in the present work. The main obtained results are the following: the materials have a two-valence band structure, the first band following non-parabolic Cohen's dispersion law; at low temperatures, carriers are scattered by ionized impurities; the Coulomb potentials being screened almost completely, impurities act like neutral centers. At room temperature, scattering by acoustic modes can explain lattice mobility behavior; reversing of the thermo-power, for samples with carrier densities of about 10 20 cm -3 , is possibly due to inter-band scattering between both valence bands; a very simple picture of the band parameters variations as a function of alloy fraction is suggested. (author) [fr

Triple photonic band-gap structure dynamically induced in the presence of spontaneously generated coherence

International Nuclear Information System (INIS)

Gao Jinwei; Bao Qianqian; Wan Rengang; Cui Cuili; Wu Jinhui

2011-01-01

We study a cold atomic sample coherently driven into the five-level triple-Λ configuration for attaining a dynamically controlled triple photonic band-gap structure. Our numerical calculations show that three photonic band gaps with homogeneous reflectivities up to 92% can be induced on demand around the probe resonance by a standing-wave driving field in the presence of spontaneously generated coherence. All these photonic band gaps are severely malformed with probe reflectivities declining rapidly to very low values when spontaneously generated coherence is gradually weakened. The triple photonic band-gap structure can also be attained in a five-level chain-Λ system of cold atoms in the absence of spontaneously generated coherence, which however requires two additional traveling-wave fields to couple relevant levels.

SINGLE-BAND, TRIPLE-BAND, OR MULTIPLE-BAND HUBBARD MODELS

NARCIS (Netherlands)

ESKES, H; SAWATZKY, GA

1991-01-01

The relevance of different models, such as the one-band t-J model and the three-band Emery model, as a realistic description of the electronic structure of high-T(c) materials is discussed. Starting from a multiband approach using cluster calculations and an impurity approach, the following

Electronic structure of the copper oxides: Band picture versus correlated behavior

Energy Technology Data Exchange (ETDEWEB)

Pickett, W E; Cohen, R E; Singh, D [Naval Research Lab., Washington, DC (USA); Krakauer, H [Coll. of William and Mary, Williamsburg, VA (USA)

1989-12-01

In the 2 1/2 years since the discovery of the high temperature superconducting copper oxides, a great deal has been learned from experiment about their behavior. From the theoretical side, there continues to be developments both within the band picture and from the model Hamiltonian viewpoint emphasizing correlations. In this paper we discuss briefly these complementary viewpoints in relation to certain of the experimental data. Due to our background in the band structure area, we approach the discussion by evaluating which phenomena can be (or has been) accounted for by the standard band approach, and point out which properties appear to require more intricate treatments of correlation. (orig.).

Band structure and optical properties of sinusoidal superlattices: ZnSe1-xTex

International Nuclear Information System (INIS)

Yang, G.; Lee, S.; Furdyna, J. K.

2000-01-01

This paper examines the band structure and optical selection rules in superlattices with a sinusoidal potential profile. The analysis is motivated by the recent successful fabrication of high quality ZnSe 1-x Te x superlattices in which the composition x varies sinusoidally along the growth direction. Although the band alignment in the ZnSe 1-x Te x sinusoidal superlattices is staggered (type II), they exhibit unexpectedly strong photoluminescence, thus suggesting interesting optical behavior. The band structure of such sinusoidal superlattices is formulated in terms of the nearly-free-electron (NFE) approximation, in which the superlattice potential is treated as a perturbation. The resulting band structure is unique, characterized by a single minigap separating two wide, free-electron-like subbands for both electrons and holes. Interband selection rules are derived for optical transitions involving conduction and valence-band states at the superlattice Brillouin-zone center, and at the zone edge. A number of transitions are predicted due to wave-function mixing of different subband states. It should be noted that the zone-center and zone-edge transitions are especially easy to distinguish in these superlattices because of the large width of the respective subbands. The results of the NFE approximation are shown to hold surprisingly well over a wide range of parameters, particularly when the period of the superlattice is short. (c) 2000 The American Physical Society

Relativistic band-structure calculations for electronic properties of actinide dioxides

International Nuclear Information System (INIS)

Maehira, Takahiro; Hotta, Takashi

2007-01-01

Energy band structures of actinide dioxides AnO 2 (An=Th, U, Np, and Pu) are investigated by a relativistic linear augmented-plane-wave method with the exchange-correlation potential in a local density approximation (LDA). It is found in common that the energy bands in the vicinity of the Fermi level are mainly due to the hybridization between actinide 5f and oxygen 2p electrons. By focusing on the crystalline electric field states, we point out the problem in the application of the LDA to AnO 2

Electronic structure of SnS deduced from photoelectron spectra and band-structure calculations

NARCIS (Netherlands)

Ettema, A.R.H.F.; Groot, R.A. de; Haas, C.; Turner, T.S.

1992-01-01

SnS is a layer compound with a phase transition from a high-temperature β phase to a low-temperature α phase with a lower symmetry. Ab initio band-structure calculations are presented for both phases. The calculations show that the charge distributions in the two phases are very similar. However,

Electronic band structures of binary skutterudites

Energy Technology Data Exchange (ETDEWEB)

Khan, Banaras [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan); Aliabad, H.A. Rahnamaye [Department of Physics, Hakim Sabzevari University, Sabzevar (Iran, Islamic Republic of); Saifullah [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan); Jalali-Asadabadi, S. [Department of Physics, Faculty of Science, University of Isfahan (UI), 81744 Isfahan (Iran, Islamic Republic of); Khan, Imad [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan); Ahmad, Iftikhar, E-mail: ahma5532@gmail.com [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan)

2015-10-25

The electronic properties of complex binary skutterudites, MX{sub 3} (M = Co, Rh, Ir; X = P, As, Sb) are explored, using various density functional theory (DFT) based theoretical approaches including Green's Function (GW) as well as regular and non-regular Tran Blaha modified Becke Jhonson (TB-mBJ) methods. The wide range of calculated bandgap values for each compound of this skutterudites family confirm that they are theoretically as challenging as their experimental studies. The computationally expensive GW method, which is generally assume to be efficient in the reproduction of the experimental bandgaps, is also not very successful in the calculation of bandgaps. In this article, the issue of the theoretical bandgaps of these compounds is resolved by reproducing the accurate experimental bandgaps, using the recently developed non-regular TB-mBJ approach, based on DFT. The effectiveness of this technique is due to the fact that a large volume of the binary skutterudite crystal is empty and hence quite large proportion of electrons lie outside of the atomic spheres, where unlike LDA and GGA which are poor in the treatment of these electrons, this technique properly treats these electrons and hence reproduces the clear electronic picture of these compounds. - Highlights: • Theoretical and experimental electronic band structures of binary skutterudites are reviewed. • The literature reveals that none of the existing theoretical results are consistent with the experiments. • GW, regular and non-regular TB-mBJ methods are used to reproduce the correct results. • The GW and regular TB-mBJ results are better than the available results in literature. • However, non-regular TB-mBJ reproduces the correct experimental band structures.

Electronic band structures of binary skutterudites

International Nuclear Information System (INIS)

Khan, Banaras; Aliabad, H.A. Rahnamaye; Saifullah; Jalali-Asadabadi, S.; Khan, Imad; Ahmad, Iftikhar

2015-01-01

The electronic properties of complex binary skutterudites, MX 3 (M = Co, Rh, Ir; X = P, As, Sb) are explored, using various density functional theory (DFT) based theoretical approaches including Green's Function (GW) as well as regular and non-regular Tran Blaha modified Becke Jhonson (TB-mBJ) methods. The wide range of calculated bandgap values for each compound of this skutterudites family confirm that they are theoretically as challenging as their experimental studies. The computationally expensive GW method, which is generally assume to be efficient in the reproduction of the experimental bandgaps, is also not very successful in the calculation of bandgaps. In this article, the issue of the theoretical bandgaps of these compounds is resolved by reproducing the accurate experimental bandgaps, using the recently developed non-regular TB-mBJ approach, based on DFT. The effectiveness of this technique is due to the fact that a large volume of the binary skutterudite crystal is empty and hence quite large proportion of electrons lie outside of the atomic spheres, where unlike LDA and GGA which are poor in the treatment of these electrons, this technique properly treats these electrons and hence reproduces the clear electronic picture of these compounds. - Highlights: • Theoretical and experimental electronic band structures of binary skutterudites are reviewed. • The literature reveals that none of the existing theoretical results are consistent with the experiments. • GW, regular and non-regular TB-mBJ methods are used to reproduce the correct results. • The GW and regular TB-mBJ results are better than the available results in literature. • However, non-regular TB-mBJ reproduces the correct experimental band structures

Modeling of Ground Deformation and Shallow Surface Waves Generated by Martian Dust Devils and Perspectives for Near-Surface Structure Inversion

Science.gov (United States)

Kenda, Balthasar; Lognonné, Philippe; Spiga, Aymeric; Kawamura, Taichi; Kedar, Sharon; Banerdt, William Bruce; Lorenz, Ralph; Banfield, Don; Golombek, Matthew

2017-10-01

We investigated the possible seismic signatures of dust devils on Mars, both at long and short period, based on the analysis of Earth data and on forward modeling for Mars. Seismic and meteorological data collected in the Mojave Desert, California, recorded the signals generated by dust devils. In the 10-100 s band, the quasi-static surface deformation triggered by pressure fluctuations resulted in detectable ground-tilt effects: these are in good agreement with our modeling based on Sorrells' theory. In addition, high-frequency records also exhibit a significant excitation in correspondence to dust devil episodes. Besides wind noise, this signal includes shallow surface waves due to the atmosphere-surface coupling and is used for a preliminary inversion of the near-surface S-wave profile down to 50 m depth. In the case of Mars, we modeled the long-period signals generated by the pressure field resulting from turbulence-resolving Large-Eddy Simulations. For typical dust-devil-like vortices with pressure drops of a couple Pascals, the corresponding horizontal acceleration is of a few nm/s2 for rocky subsurface models and reaches 10-20 nm/s2 for weak regolith models. In both cases, this signal can be detected by the Very-Broad Band seismometers of the InSight/SEIS experiment up to a distance of a few hundred meters from the vortex, the amplitude of the signal decreasing as the inverse of the distance. Atmospheric vortices are thus expected to be detected at the InSight landing site; the analysis of their seismic and atmospheric signals could lead to additional constraints on the near-surface structure, more precisely on the ground compliance and possibly on the seismic velocities.

Imaging the Nanoscale Band Structure of Topological Sb

OpenAIRE

Soumyanarayanan, Anjan; Yee, Michael M.; He, Yang; Lin, Hsin; Gardner, Dillon R.; Bansil, Arun; Lee, Young S.; Hoffman, Jennifer E.

2013-01-01

Many promising building blocks of future electronic technology - including non-stoichiometric compounds, strongly correlated oxides, and strained or patterned films - are inhomogeneous on the nanometer length scale. Exploiting the inhomogeneity of such materials to design next-generation nanodevices requires a band structure probe with nanoscale spatial resolution. To address this demand, we report the first simultaneous observation and quantitative reconciliation of two candidate probes - La...

A first principle study of band structure of III-nitride compounds

Energy Technology Data Exchange (ETDEWEB)

Ahmed, Rashid [Centre for High Energy Physics University of the Punjab, Lahore-54590 (Pakistan)]. E-mail: rasofi@hotmail.com; Akbarzadeh, H. [Department of Physics, Isfahan University of Technology, 841546 Isfahan (Iran, Islamic Republic of); Fazal-e-Aleem [Centre for High Energy Physics University of the Punjab, Lahore-54590 (Pakistan)

2005-12-15

The band structure of both phases, zinc-blende and wurtzite, of aluminum nitride, indium nitride and gallium nitride has been studied using computational methods. The study has been done using first principle full-potential linearized augmented plane wave (FP-LAPW) method, within the framework of density functional theory (DFT). For the exchange correlation potential, generalized gradient approximation (GGA) and an alternative form of GGA proposed by Engel and Vosko (GGA-EV) have been used. Results obtained for band structure of these compounds have been compared with experimental results as well as other first principle computations. Our results show a significant improvement over other theoretical work and are closer to the experimental data.

3D Structure of Iran and Surrounding Areas From The Simultaneous Inversion of Complementary Geophysical Observations

Science.gov (United States)

Ammon, C. J.; Maceira, M.; Cleveland, M.

2010-12-01

We present a three-dimensional seismic-structure model of the Arabian-Eurasian collision zone obtained via simultaneous, joint inversion of surface-wave dispersion measurements, teleseismic P-wave receiver functions, and gravity observations. We use a simple, approximate relationship between density and seismic velocities so that the three data sets may be combined in a single inversion. The sensitivity of the different data sets are well known: surface waves provide information on the smooth variations in elastic properties, receiver functions provide information on abrupt velocity contrasts, and gravity measurements provide information on broad-wavenumber shallow density variations and long-wavenumber components of deeper density structures. The combination of the data provides improved resolution of shallow-structure variations, which in turn help produce the smooth features at depth with less contamination from the strong heterogeneity often observed in the upper crust. We also explore geologically based smoothness constraints to help resolve sharp features in the underlying shallow 3D structure. Our focus is on the region surrounding Iran from east Turkey and Iraq in the west, to Pakistan and Afghanistan in the east. We use Bouguer gravity anomalies derived from the global gravity model extracted from the GRACE satellite mission. Surface-wave dispersion velocities in the period range between 7 and 150 s are taken from previously published tomographic maps for the region. Preliminary results show expected strong variations in the Caspian region as well as the deep sediment regions of the Persian Gulf. Regions constrained with receiver-function information generally show sharper crust-mantle boundary structure than that obtained by inversion of the surface waves alone (with thin layers and smoothing constraints). Final results of the simultaneous inversion will help us to better understand one of the most prominent examples of continental collision. Such models

Large positive spin polarization and giant inverse tunneling magnetoresistance in Fe/PbTiO3/Fe multiferroic tunnel junction

International Nuclear Information System (INIS)

Dai, Jian-Qing; Zhang, Hu; Song, Yu-Min

2014-01-01

We perform first-principles electronic structure and spin-dependent transport calculations of a multiferroic tunnel junction (MFTJ) with an epitaxial Fe/PbTiO 3 /Fe heterostructure. We predict a large positive spin-polarization (SP) and an intriguing giant inverse tunneling magnetoresistance (TMR) ratio in this tunnel junction. We demonstrate that the tunneling properties are determined by ferroelectric (FE) polarization screening and electronic reconstruction at the interface with lower electrostatic potential. The intricate complex band structure of PbTiO 3 , in particular the lowest decay rates concerning Pb 6p z and Ti 3d z2 states near the Γ ¯ point, gives rise to the large positive SP of the tunneling current in the parallel magnetic configuration. However, the giant inverse TMR ratio is attributed to the minority-spin electrons of the interfacial Ti 3d xz +3d yz orbitals which have considerably weight in the extended area around the Γ ¯ point at the Fermi energy and causes remarkable contributions to the conductance in the antiparallel magnetic configuration. - Highlights: • We study spin-dependent tunneling in Fe/PbTiO 3 /Fe multiferroic tunnel junction. • We find a large positive spin polarization in the parallel magnetic configuration. • An intriguing giant inverse TMR ratio (about −2000%) is predicted. • Complex band structure of PbTiO 3 causes the large positive spin polarization. • Negative TMR is due to minority-spin electrons of interfacial Ti d xz +d yz orbitals

The Development of Layered Photonic Band Gap Structures Using a Micro-Transfer Molding Technique

International Nuclear Information System (INIS)

Kevin Jerome Sutherland

2001-01-01

Photonic band gap (PBG) crystals are periodic dielectric structures that manipulate electromagnetic radiation in a manner similar to semiconductor devices manipulating electrons. Whereas a semiconductor material exhibits an electronic band gap in which electrons cannot exist, similarly, a photonic crystal containing a photonic band gap does not allow the propagation of specific frequencies of electromagnetic radiation. This phenomenon results from the destructive Bragg diffraction interference that a wave propagating at a specific frequency will experience because of the periodic change in dielectric permitivity. This gives rise to a variety of optical applications for improving the efficiency and effectiveness of opto-electronic devices. These applications are reviewed later. Several methods are currently used to fabricate photonic crystals, which are also discussed in detail. This research involves a layer-by-layer micro-transfer molding ((mu)TM) and stacking method to create three-dimensional FCC structures of epoxy or titania. The structures, once reduced significantly in size can be infiltrated with an organic gain media and stacked on a semiconductor to improve the efficiency of an electronically pumped light-emitting diode. Photonic band gap structures have been proven to effectively create a band gap for certain frequencies of electro-magnetic radiation in the microwave and near-infrared ranges. The objective of this research project was originally two-fold: to fabricate a three dimensional (3-D) structure of a size scaled to prohibit electromagnetic propagation within the visible wavelength range, and then to characterize that structure using laser dye emission spectra. As a master mold has not yet been developed for the micro transfer molding technique in the visible range, the research was limited to scaling down the length scale as much as possible with the current available technology and characterizing these structures with other methods

The Development of Layered Photonic Band Gap Structures Using a Micro-Transfer Molding Technique

Energy Technology Data Exchange (ETDEWEB)

Sutherland, Kevin Jerome [Iowa State Univ., Ames, IA (United States)

2001-01-01

Photonic band gap (PBG) crystals are periodic dielectric structures that manipulate electromagnetic radiation in a manner similar to semiconductor devices manipulating electrons. Whereas a semiconductor material exhibits an electronic band gap in which electrons cannot exist, similarly, a photonic crystal containing a photonic band gap does not allow the propagation of specific frequencies of electromagnetic radiation. This phenomenon results from the destructive Bragg diffraction interference that a wave propagating at a specific frequency will experience because of the periodic change in dielectric permitivity. This gives rise to a variety of optical applications for improving the efficiency and effectiveness of opto-electronic devices. These applications are reviewed later. Several methods are currently used to fabricate photonic crystals, which are also discussed in detail. This research involves a layer-by-layer micro-transfer molding ({mu}TM) and stacking method to create three-dimensional FCC structures of epoxy or titania. The structures, once reduced significantly in size can be infiltrated with an organic gain media and stacked on a semiconductor to improve the efficiency of an electronically pumped light-emitting diode. Photonic band gap structures have been proven to effectively create a band gap for certain frequencies of electro-magnetic radiation in the microwave and near-infrared ranges. The objective of this research project was originally two-fold: to fabricate a three dimensional (3-D) structure of a size scaled to prohibit electromagnetic propagation within the visible wavelength range, and then to characterize that structure using laser dye emission spectra. As a master mold has not yet been developed for the micro transfer molding technique in the visible range, the research was limited to scaling down the length scale as much as possible with the current available technology and characterizing these structures with other methods.

Source Identification in Structural Acoustics with an Inverse Frequency Response Function Technique

NARCIS (Netherlands)

Visser, Rene

2002-01-01

Inverse source identification based on acoustic measurements is essential for the investigation and understanding of sound fields generated by structural vibrations of various devices and machinery. Acoustic pressure measurements performed on a grid in the nearfield of a surface can be used to

Design and Analysis of a Triple Stop-band Filter Using Ratioed Periodical Defected Microstrip Structure

Science.gov (United States)

Jiang, Tao; Wang, Yanyan; Li, Yingsong

2017-07-01

In this paper, a triple stop-band filter with a ratioed periodical defected microstrip structure is proposed for wireless communication applications. The proposed ratioed periodical defected microstrip structures are spiral slots, which are embedded into a 50 Ω microstrip line to obtain multiple stop-bands. The performance of the proposed triple stop-band filter is investigated numerically and experimentally. Moreover, the equivalent circuit model of the proposed filter is also established and discussed. The results are given to verify that the proposed triple stop-band filter has three stop bands at 3.3 GHz, 5.2 GHz, 6.8 GHz to reject the unwanted signals, which is promising for integrating into UWB communication systems to efficiently prevent the potential interferences from unexpected narrowband signals such as WiMAX, WLAN and RFID communication systems.

Electronic structure of the misfit-layer compound (SnS)1.17NbS2 deduced from band-structure calculations and photoelectron spectra

NARCIS (Netherlands)

Fang, C.M.; Ettema, A.R.H.F.; Haas, C.; Wiegers, G.A.; Leuken, H. van; Groot, R.A. de

1995-01-01

In order to understand the electronic structure of the misfit-layer compound (SnS)1.17NbS2 we carried out an ab initio band-structure calculation of the closely related commensurate compound (SnS)1.20NbS2. The band structure is compared with calculations for NbS2 and for hypothetical SnS with

Electronic structures and band gaps of chains and sheets based on phenylacetylene units

International Nuclear Information System (INIS)

Kondo, Masakazu; Nozaki, Daijiro; Tachibana, Masamitsu; Yumura, Takashi; Yoshizawa, Kazunari

2005-01-01

We investigate the electronic structures of polymers composed of π-conjugated phenylacetylene (PA) units, m-PA-based and p-PA-based wires, at the extended Hueckel level of theory. It is demonstrated that these conjugated systems should have a variety of electric conductance. All of the one-dimensional (1D) chains and the two-dimensional (2D) sheet based on the m-PA unit are insulators with large band gaps of 2.56 eV because there is no effective orbital interaction with neighboring chains. On the other hand, p-PA-based 1D chains have relatively small band gaps that decrease with an increase in chain width (1.17-1.74 eV) and are semiconductive. The p-PA-based sheet called 'graphyne', a 2D-limit of the p-PA-based 1D chains, shows a small band gap of 0.89 eV. The variety of band electronic structures is discussed in terms of frontier crystal orbitals

Quasiparticle band gap of organic-inorganic hybrid perovskites: Crystal structure, spin-orbit coupling, and self-energy effects

Science.gov (United States)

Gao, Weiwei; Gao, Xiang; Abtew, Tesfaye A.; Sun, Yi-Yang; Zhang, Shengbai; Zhang, Peihong

2016-02-01

The quasiparticle band gap is one of the most important materials properties for photovoltaic applications. Often the band gap of a photovoltaic material is determined (and can be controlled) by various factors, complicating predictive materials optimization. An in-depth understanding of how these factors affect the size of the gap will provide valuable guidance for new materials discovery. Here we report a comprehensive investigation on the band gap formation mechanism in organic-inorganic hybrid perovskites by decoupling various contributing factors which ultimately determine their electronic structure and quasiparticle band gap. Major factors, namely, quasiparticle self-energy, spin-orbit coupling, and structural distortions due to the presence of organic molecules, and their influences on the quasiparticle band structure of organic-inorganic hybrid perovskites are illustrated. We find that although methylammonium cations do not contribute directly to the electronic states near band edges, they play an important role in defining the band gap by introducing structural distortions and controlling the overall lattice constants. The spin-orbit coupling effects drastically reduce the electron and hole effective masses in these systems, which is beneficial for high carrier mobilities and small exciton binding energies.

Green Color Purification in Tb(3+) Ions through Silica Inverse Opal Heterostructure.

Science.gov (United States)

Shrivastava, Vishnu Prasad; Sivakumar, Sri; Kumar, Jitendra

2015-06-10

The ordered SiO2:Tb(3+) inverse opal heterostructure films are fabricated through polystyrene spheres hetero-opal template using the convective self-assembly method to examine their potential for color purification. Their optical properties and photoluminescence have been investigated and compared with individual single inverse opals and reference (SiO2:Tb(3+) powder). The heterostructures are shown to possess two broad photonic stop bands separated by an effective pass band, causing suppression of blue, orange, and red emission bands corresponding to (5)D4 → (7)F(j); j = 6, 4, 3 transitions, respectively and an enhancement of green emission (i.e., (5)D4 → (7)F5). Although the suppression of various emission occurs because of its overlap with the photonic band gaps (PSBs), the enhancement of green radiation is observed because of its location matching with the pass band region. The Commission International de l'Eclairage (CIE) chromaticity coordinates of the emission spectrum of the heterostructure based on polystyrene sphere of 390 and 500 nm diameter are x = 0.2936, y = 0.6512 and lie closest to those of standard green color (wavelength 545 nm). In addition, a significant increase observed in luminescence lifetime for (5)D4 level of terbium in inverse opal heterostructures vis-à-vis reference (SiO2:Tb(3+) powder) is attributed to the change in the effective refractive index.

Exploring the Subtleties of Inverse Probability Weighting and Marginal Structural Models.

Science.gov (United States)

Breskin, Alexander; Cole, Stephen R; Westreich, Daniel

2018-05-01

Since being introduced to epidemiology in 2000, marginal structural models have become a commonly used method for causal inference in a wide range of epidemiologic settings. In this brief report, we aim to explore three subtleties of marginal structural models. First, we distinguish marginal structural models from the inverse probability weighting estimator, and we emphasize that marginal structural models are not only for longitudinal exposures. Second, we explore the meaning of the word "marginal" in "marginal structural model." Finally, we show that the specification of a marginal structural model can have important implications for the interpretation of its parameters. Each of these concepts have important implications for the use and understanding of marginal structural models, and thus providing detailed explanations of them may lead to better practices for the field of epidemiology.

Structure of collective bands and deformations in {sup 74,76}Kr

Energy Technology Data Exchange (ETDEWEB)

Tripathy, K.C. [Physics Department, F M College, Balasore, 756 001 (India); Sahu, R. [Physics Department, Berhampur University, Berhampur, 760 007 (India)

2000-08-01

The structure of collective bands in {sup 74,76}Kr is studied within the framework of the deformed configuration mixing shell model based on Hartree-Fock states. The active single-particle orbits are 1p{sub 3/2}, 0f{sub 5/2}, 1p{sub 1/2} and 0g{sub 9/2} with {sup 56}Ni as the inert core. A modified Kuo interaction has been used for the above configuration space. The {sup 74}Kr nucleus is found to be the most deformed nucleus among the krypton isotopes which is in agreement with experiment. The deformation is found to decrease for the {sup 76}Kr isotope. The calculated positive- and negative-parity bandsagree quite well with the experiment for both the nuclei. A number of excited bands is also predicted. We have also calculated B(E2) values and compared them with available experimental data. The structure of the strongly coupled band built on K = 4{sup (+)} in {sup 76}Kr is also studied. (author)

Effect of eddy current damping on phononic band gaps generated by locally resonant periodic structures

Science.gov (United States)

Ozkaya, Efe; Yilmaz, Cetin

2017-02-01

The effect of eddy current damping on a novel locally resonant periodic structure is investigated. The frequency response characteristics are obtained by using a lumped parameter and a finite element model. In order to obtain wide band gaps at low frequencies, the periodic structure is optimized according to certain constraints, such as mass distribution in the unit cell, lower limit of the band gap, stiffness between the components in the unit cell, the size of magnets used for eddy current damping, and the number of unit cells in the periodic structure. Then, the locally resonant periodic structure with eddy current damping is manufactured and its experimental frequency response is obtained. The frequency response results obtained analytically, numerically and experimentally match quite well. The inclusion of eddy current damping to the periodic structure decreases amplitudes of resonance peaks without disturbing stop band width.

Theoretical studies on band structure and optical properties of 3C-SiC by FPLAPW

International Nuclear Information System (INIS)

Xu, P.; Xie, C.; Xu, F.; Pan, H.

2004-01-01

Full text: SiC has attracted more interests because of its great technological importance in microelectronic and photoelectronic devices. We have studied the band structure and optical properties of 3C-SiC by using a Full Potential Linearized Augmented Plane Waves (FPLAPW) method. The partial density of states (DOS) of Si and C atoms as well as the band structure of 3C-SiC are presented. The calculated band gap is 1.30eV, which is much less than the experimental value. It is attributed to a deficiency of the local density theory. The imaginary part of the dielectric function has been obtained directly from the band structure calculation. With the band gap correction, the real part of the dielectric function has been derived from the imaginary part by Kramers Kronig (K-K) dispersion relationship. The calculated results are in good agreement with the results measured by Petalas et al. by using ultraviolet spectroscopic ellipsometry in the photon energy range of 5eV-10eV. The band-to-band transition can be identified from the critical points exhibited in the calculated dielectric function, which is consistent with the experimental results of Petalas et al. The refractive index, extinction coefficient and reflectivity have also been calculated from obtained dielectric function, which are in agreement with the experimental results of Logothetidis and Lambrecht

Negative refractions by triangular lattice sonic crystals in partial band gaps

International Nuclear Information System (INIS)

Alagoz, S.; Sahin, A.; Alagoz, B. B.; Nur, S.

2015-01-01

This study numerically demonstrates the effects of partial band gaps on the negative refraction properties of sonic crystal. The partial band gap appearing at the second band edge leads to the efficient transmissions of scattered wave envelopes in the transverse directions inside triangular lattice sonic crystal, and therefore enhances the refraction property of sonic crystal. Numerical simulation results indicate a diagonal guidance of coupled scattered wave envelopes inside crystal structure at the partial band gap frequencies and then output waves are restored in the vicinity of the output interface of sonic crystal by combining phase coherent scattered waves according to Huygens’ principles. This mechanism leads to two operations for wavefront engineering: one is spatial wavefront shifting operation and the other is convex–concave wavefront inversion operation. The effects of this mechanism on the negative refraction and wave focalization are investigated by using the finite difference time domain (FDTD) simulations. This study contributes to a better understanding of negative refraction and wave focusing mechanisms at the band edge frequencies, and shows the applications of the slab corner beam splitting and SC-air multilayer acoustic system. (paper)

Ab initio electronic band structure study of III-VI layered semiconductors

Science.gov (United States)

Olguín, Daniel; Rubio-Ponce, Alberto; Cantarero, Andrés

2013-08-01

We present a total energy study of the electronic properties of the rhombohedral γ-InSe, hexagonal ɛ-GaSe, and monoclinic GaTe layered compounds. The calculations have been done using the full potential linear augmented plane wave method, including spin-orbit interaction. The calculated valence bands of the three compounds compare well with angle resolved photoemission measurements and a discussion of the small discrepancies found has been given. The present calculations are also compared with recent and previous band structure calculations available in the literature for the three compounds. Finally, in order to improve the calculated band gap value we have used the recently proposed modified Becke-Johnson correction for the exchange-correlation potential.

Band structure dynamics in indium wires

Science.gov (United States)

Chávez-Cervantes, M.; Krause, R.; Aeschlimann, S.; Gierz, I.

2018-05-01

One-dimensional indium wires grown on Si(111) substrates, which are metallic at high temperatures, become insulating below ˜100 K due to the formation of a charge density wave (CDW). The physics of this transition is not conventional and involves a multiband Peierls instability with strong interband coupling. This CDW ground state is readily destroyed with femtosecond laser pulses resulting in a light-induced insulator-to-metal phase transition. The current understanding of this transition remains incomplete, requiring measurements of the transient electronic structure to complement previous investigations of the lattice dynamics. Time- and angle-resolved photoemission spectroscopy with extreme ultraviolet radiation is applied to this end. We find that the transition from the insulating to the metallic band structure occurs within ˜660 fs, which is a fraction of the amplitude mode period. The long lifetime of the transient state (>100 ps) is attributed to trapping in a metastable state in accordance with previous work.

Structural-change localization and monitoring through a perturbation-based inverse problem.

Science.gov (United States)

Roux, Philippe; Guéguen, Philippe; Baillet, Laurent; Hamze, Alaa

2014-11-01

Structural-change detection and characterization, or structural-health monitoring, is generally based on modal analysis, for detection, localization, and quantification of changes in structure. Classical methods combine both variations in frequencies and mode shapes, which require accurate and spatially distributed measurements. In this study, the detection and localization of a local perturbation are assessed by analysis of frequency changes (in the fundamental mode and overtones) that are combined with a perturbation-based linear inverse method and a deconvolution process. This perturbation method is applied first to a bending beam with the change considered as a local perturbation of the Young's modulus, using a one-dimensional finite-element model for modal analysis. Localization is successful, even for extended and multiple changes. In a second step, the method is numerically tested under ambient-noise vibration from the beam support with local changes that are shifted step by step along the beam. The frequency values are revealed using the random decrement technique that is applied to the time-evolving vibrations recorded by one sensor at the free extremity of the beam. Finally, the inversion method is experimentally demonstrated at the laboratory scale with data recorded at the free end of a Plexiglas beam attached to a metallic support.

Electronic band structures and optical properties of type-II superlattice photodetectors with interfacial effect.

Science.gov (United States)

Qiao, Peng-Fei; Mou, Shin; Chuang, Shun Lien

2012-01-30

The electronic band structures and optical properties of type-II superlattice (T2SL) photodetectors in the mid-infrared (IR) range are investigated. We formulate a rigorous band structure model using the 8-band k · p method to include the conduction and valence band mixing. After solving the 8 × 8 Hamiltonian and deriving explicitly the new momentum matrix elements in terms of envelope functions, optical transition rates are obtained through the Fermi's golden rule under various doping and injection conditions. Optical measurements on T2SL photodetectors are compared with our model and show good agreement. Our modeling results of quantum structures connect directly to the device-level design and simulation. The predicted doping effect is readily applicable to the optimization of photodetectors. We further include interfacial (IF) layers to study the significance of their effect. Optical properties of T2SLs are expected to have a large tunable range by controlling the thickness and material composition of the IF layers. Our model provides an efficient tool for the designs of novel photodetectors.

Crustal velocity structure of central Gansu Province from regional seismic waveform inversion using firework algorithm

Science.gov (United States)

Chen, Yanyang; Wang, Yanbin; Zhang, Yuansheng

2017-04-01

The firework algorithm (FWA) is a novel swarm intelligence-based method recently proposed for the optimization of multi-parameter, nonlinear functions. Numerical waveform inversion experiments using a synthetic model show that the FWA performs well in both solution quality and efficiency. We apply the FWA in this study to crustal velocity structure inversion using regional seismic waveform data of central Gansu on the northeastern margin of the Qinghai-Tibet plateau. Seismograms recorded from the moment magnitude ( M W) 5.4 Minxian earthquake enable obtaining an average crustal velocity model for this region. We initially carried out a series of FWA robustness tests in regional waveform inversion at the same earthquake and station positions across the study region, inverting two velocity structure models, with and without a low-velocity crustal layer; the accuracy of our average inversion results and their standard deviations reveal the advantages of the FWA for the inversion of regional seismic waveforms. We applied the FWA across our study area using three component waveform data recorded by nine broadband permanent seismic stations with epicentral distances ranging between 146 and 437 km. These inversion results show that the average thickness of the crust in this region is 46.75 km, while thicknesses of the sedimentary layer, and the upper, middle, and lower crust are 3.15, 15.69, 13.08, and 14.83 km, respectively. Results also show that the P-wave velocities of these layers and the upper mantle are 4.47, 6.07, 6.12, 6.87, and 8.18 km/s, respectively.

Fabrication of a three-dimensional photonic band-gap crystal of air-spheres in a titania matrix

Science.gov (United States)

Diop, M.; Maurin, G.; Tork, Amir; Lessard, Roger A.

2003-02-01

A three-dimensional (3D) colloidal crystal have been grown from an aqueous colloidal solution of highly monodisperse submicrometer-sized polystyrene spheres using a self-assembly processing technique. The electromagnetic waves diffracted by this crystal can interfere and give rise to a photonic band-gap. However, due to the low refractive index contrast within this material the band-gap is incomplete. By filling the voids between the spheres of the colloidal crystal with titania and removing the polystyrene beads by sublimation, we obtained an inverse-opal structure with an increased refractive index contrast showing strong opalescence.

Calculation of band alignments and quantum confinement effects in zero- and one-dimensional pseudomorphic structures

International Nuclear Information System (INIS)

Yang, M.; Sturm, J.C.; Prevost, J.

1997-01-01

The strain field distributions and band lineups of zero-dimensional and one-dimensional strained pseudomorphic semiconductor particles inside a three-dimensional matrix of another semiconductor have been studied. The resulting strain in the particle and the matrix leads to band alignments considerably different from that in the conventional two-dimensional (2D) pseudomorphic growth case. The models are first applied to an ideal spherical and cylindrical Si 1-x Ge x particle in a large Si matrix. In contrast to the 2D case, the band alignments for both structures are predicted to be strongly type II, where the conduction-band edge and the valence-band edge of the Si matrix are both significantly lower than those in the Si 1-x Ge x inclusion, respectively. Band lineups and the lowest electron endash heavy-hole transition energies of a pseudomorphic V-groove Si 1-x Ge x quantum wire inside a large Si matrix have been calculated numerically for different size structures. The photoluminescence energies of a large Si 1-x Ge x V-groove structure on Si will be lower than those of conventional 2D strained Si 1-x Ge x for similar Ge contents. copyright 1997 The American Physical Society

Photonic band structure calculations using nonlinear eigenvalue techniques

International Nuclear Information System (INIS)

Spence, Alastair; Poulton, Chris

2005-01-01

This paper considers the numerical computation of the photonic band structure of periodic materials such as photonic crystals. This calculation involves the solution of a Hermitian nonlinear eigenvalue problem. Numerical methods for nonlinear eigenvalue problems are usually based on Newton's method or are extensions of techniques for the standard eigenvalue problem. We present a new variation on existing methods which has its derivation in methods for bifurcation problems, where bordered matrices are used to compute critical points in singular systems. This new approach has several advantages over the current methods. First, in our numerical calculations the new variation is more robust than existing techniques, having a larger domain of convergence. Second, the linear systems remain Hermitian and are nonsingular as the method converges. Third, the approach provides an elegant and efficient way of both thinking about the problem and organising the computer solution so that only one linear system needs to be factorised at each stage in the solution process. Finally, first- and higher-order derivatives are calculated as a natural extension of the basic method, and this has advantages in the electromagnetic problem discussed here, where the band structure is plotted as a set of paths in the (ω,k) plane

Electronic band structure, optical, dynamical and thermodynamic properties of cesium chloride (CsCl from first-principles

Directory of Open Access Journals (Sweden)

Bingol Suat

2015-01-01

Full Text Available The geometric structural optimization, electronic band structure, total density of states for valence electrons, density of states for phonons, optical, dynamical, and thermodynamical features of cesium chloride have been investigated by linearized augmented plane wave method using the density functional theory under the generalized gradient approximation. Ground state properties of cesium chloride are studied. The calculated ground state properties are consistent with experimental results. Calculated band structure indicates that the cesium chloride structure has an indirect band gap value of 5.46 eV and is an insulator. From the obtained phonon spectra, the cesium chloride structure is dynamically stable along the various directions in the Brillouin zone. Temperature dependent thermodynamic properties are studied using the harmonic approximation model.

Hybrid functional band gap calculation of SnO6 containing perovskites and their derived structures

International Nuclear Information System (INIS)

Lee, Hyewon; Cheong, S.W.; Kim, Bog G.

2015-01-01

We have studied the properties of SnO 6 octahedra-containing perovskites and their derived structures using ab initio calculations with different density functionals. In order to predict the correct band gap of the materials, we have used B3LYP hybrid density functional, and the results of B3LYP were compared with those obtained using the local density approximation and generalized gradient approximation data. The calculations have been conducted for the orthorhombic ground state of the SnO 6 containing perovskites. We also have expended the hybrid density functional calculation to the ASnO 3 /A'SnO 3 system with different cation orderings. We propose an empirical relationship between the tolerance factor and the band gap of SnO 6 containing oxide materials based on first principles calculation. - Graphical abstract: (a) Structure of ASnO 3 for orthorhombic ground state. The green ball is A (Ba, Sr, Ca) cation and the small (red) ball on edge is oxygen. SnO 6 octahedrons are plotted as polyhedron. (b) Band gap of ASnO 3 as a function of the tolerance factor for different density functionals. The experimental values of the band gap are marked as green pentagons. (c) ASnO 3 /A'SnO 3 superlattices with two types cation arrangement: [001] layered structure and [111] rocksalt structure, respectively. (d) B3LYP hybrid functional band gaps of ASnO 3 , [001] ordered superlattices, and [111] ordered superlattices of ASnO 3 /A'SnO 3 as a function of the effective tolerance factor. Note the empirical linear relationship between the band gap and effective tolerance factor. - Highlights: • We report the hybrid functional band gap calculation of ASnO 3 and ASnO 3 /A'SnO 3 . • The band gap of ASnO 3 using B3LYP functional reproduces the experimental value. • We propose the linear relationship between the tolerance factor and the band gap

Band structure and Fermi surface of UPd2Al3 studied by angle-resolved photoemission spectroscopy

International Nuclear Information System (INIS)

Fujimori, Shin-ichi; Saitoh, Yuji; Okane, Tetsuo; Yamagami, Hiroshi; Fujimori, Atsushi; Haga, Yoshinori; Yamamoto, Etsuji; Onuki, Yoshichika

2007-01-01

We have observed the band structure and Fermi surfaces of the heavy Fermion superconductor UPd 2 Al 3 by angle-resolved photoemission experiments in the soft X-ray region. We observed renormalized quasi-particle bands in the vicinity of the Fermi level and strongly dispersive bands on the higher binding energy side. Our observation suggests that the structure previously assigned to contributions from localized states in the U 5f spectrum has strong energy dispersions

Bose-Einstein condensates in optical lattices: Band-gap structure and solitons

International Nuclear Information System (INIS)

Louis, Pearl J. Y.; Kivshar, Yuri S.; Ostrovskaya, Elena A.; Savage, Craig M.

2003-01-01

We analyze the existence and stability of spatially extended (Bloch-type) and localized states of a Bose-Einstein condensate loaded into an optical lattice. In the framework of the Gross-Pitaevskii equation with a periodic potential, we study the band-gap structure of the matter-wave spectrum in both the linear and nonlinear regimes. We demonstrate the existence of families of spatially localized matter-wave gap solitons, and analyze their stability in different band gaps, for both repulsive and attractive atomic interactions

Obtaining source current density related to irregularly structured electromagnetic target field inside human body using hybrid inverse/FDTD method.

Science.gov (United States)

Han, Jijun; Yang, Deqiang; Sun, Houjun; Xin, Sherman Xuegang

2017-01-01

Inverse method is inherently suitable for calculating the distribution of source current density related with an irregularly structured electromagnetic target field. However, the present form of inverse method cannot calculate complex field-tissue interactions. A novel hybrid inverse/finite-difference time domain (FDTD) method that can calculate the complex field-tissue interactions for the inverse design of source current density related with an irregularly structured electromagnetic target field is proposed. A Huygens' equivalent surface is established as a bridge to combine the inverse and FDTD method. Distribution of the radiofrequency (RF) magnetic field on the Huygens' equivalent surface is obtained using the FDTD method by considering the complex field-tissue interactions within the human body model. The obtained magnetic field distributed on the Huygens' equivalent surface is regarded as the next target. The current density on the designated source surface is derived using the inverse method. The homogeneity of target magnetic field and specific energy absorption rate are calculated to verify the proposed method.

Fermi Surface and Band Structure of (Ca,La)FeAs2 Superconductor from Angle-Resolved Photoemission Spectroscopy

International Nuclear Information System (INIS)

Liu Xu; Liu De-Fa; Zhao Lin; Guo Qi; Mu Qing-Ge; Chen Dong-Yun; Shen Bing; Yi He-Mian; Huang Jian-Wei; He Jun-Feng; Peng Ying-Ying; Liu Yan; He Shao-Long; Liu Guo-Dong; Dong Xiao-Li; Zhang Jun; Ren Zhi-An; Zhou Xing-Jiang; Chen Chuang-Tian; Xu Zu-Yan

2013-01-01

The (Ca,R)FeAs 2 (R=La, Pr, etc.) superconductors with a signature of superconductivity transition above 40 K possess a new kind of block layers that consist of zig-zag As chains. We report the electronic structure of the new (Ca,La)FeAs 2 superconductor investigated by both band structure calculations and high resolution angle-resolved photoemission spectroscopy measurements. Band structure calculations indicate that there are four hole-like bands around the zone center Γ(0,0) and two electron-like bands near the zone corner M(π, π) in CaFeAs 2 . In our angle-resolved photoemission measurements on (Ca 0.9 La 0.1 )FeAs 2 , we have observed three hole-like bands around the Γ point and one electron-like Fermi surface near the M(π, π) point. These results provide important information to compare and contrast with the electronic structure of other iron-based compounds in understanding the superconductivity mechanism in the iron-based superconductors. (express letter)

Reconstruction of Band Structure Induced by Electronic Nematicity in an FeSe Superconductor

Science.gov (United States)

Nakayama, K.; Miyata, Y.; Phan, G. N.; Sato, T.; Tanabe, Y.; Urata, T.; Tanigaki, K.; Takahashi, T.

2014-12-01

We have performed high-resolution angle-resolved photoemission spectroscopy on an FeSe superconductor (Tc˜8 K ), which exhibits a tetragonal-to-orthorhombic structural transition at Ts˜90 K . At low temperature, we found splitting of the energy bands as large as 50 meV at the M point in the Brillouin zone, likely caused by the formation of electronically driven nematic states. This band splitting persists up to T ˜110 K , slightly above Ts, suggesting that the structural transition is triggered by the electronic nematicity. We have also revealed that at low temperature the band splitting gives rise to a van Hove singularity within 5 meV of the Fermi energy. The present result strongly suggests that this unusual electronic state is responsible for the unconventional superconductivity in FeSe.

Banded Structures in Electron Pitch Angle Diffusion Coefficients from Resonant Wave Particle Interactions

Science.gov (United States)

Tripathi, A. K.; Singhal, R. P.; Khazanov, G. V.; Avanov, L. A.

2016-01-01

Electron pitch angle (D (alpha)) and momentum (D(pp)) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L = 4.6 and 6.8 for electron energies 10 keV. Landau (n = 0) resonance and cyclotron harmonic resonances n = +/-1, +/-2,...+/-5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (alpha) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusion coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n = +1 and n = +2. A major contribution to momentum diffusion coefficients appears from n = +2. However, the banded structures in D alpha and Dpp coefficients appear only in the profile of diffusion coefficients for n = +2. The contribution of other resonances to diffusion coefficients is found to be, in general, quite small or even negligible. For LBC and upper band chorus waves, the banded structures appear only in Landau resonance. The Dpp diffusion coefficient for ECH waves is one to two orders smaller than D alpha coefficients. For chorus waves, Dpp coefficients are about an order of magnitude smaller than D alpha coefficients for the case n does not = 0. In case of Landau resonance, the values of Dpp coefficient are generally larger than the values of D alpha coefficients particularly at lower energies. As an aid to the interpretation of results, we have also determined the resonant frequencies. For ECH waves, resonant frequencies have been estimated for wave normal angle 89 deg and harmonic resonances n = +1, +2, and +3, whereas for whistler mode waves, the frequencies have been calculated for angle

Relativistic band-structure calculations for CeTIn sub 5 (T=Ir and Co) and analysis of the energy bands by using tight-binding method

CERN Document Server

Maehira, T; Ueda, K; Hasegawa, A

2003-01-01

In order to investigate electronic properties of recently discovered heavy fermion superconductors CeTIn sub 5 (T=Ir and Co), we employ the relativistic linear augmented-plane-wave (RLAPW) method to clarify the energy band structures and Fermi surfaces of those materials. The obtained energy bands mainly due to the large hybridization between Ce 4 f and In 5 p states well reproduce the Fermi surfaces consistent with the de Haas-van Alphen experimental results. However, when we attempt to understand magnetism and superconductively in CeTIn sub 5 from the microscopic viewpoint, the energy bands obtained in the RLAPW method are too complicated to analyze the system by further including electron correlations. Thus, it is necessary to prepare a more simplified model, keeping correctly the essential characters of the energy bands obtained in the band-structure calculation. For the purpose, we construct a tight-binding model for CeTIn sub 5 by including f-f and p-p hoppings as well as f-p hybridization, which are ex...

Structure of the lowest excited 0/sup +/ rotational band of /sup 16/O

Energy Technology Data Exchange (ETDEWEB)

Ikebata, Yasuhiko; Suekane, Shota

1983-10-01

The structure of the lowest excited 0/sup +/ rotational band is investigated by using the extended Nilsson model wave functions with angular momentum projection and the B1 interaction, two-body LS-force of the Skyrme type and the Coulomb interaction. The results obtained show good agreement with energy interval in this band.

Joint Inversion of Gravity and Gravity Tensor Data Using the Structural Index as Weighting Function Rate Decay

Science.gov (United States)

Ialongo, S.; Cella, F.; Fedi, M.; Florio, G.

2011-12-01

Most geophysical inversion problems are characterized by a number of data considerably higher than the number of the unknown parameters. This corresponds to solve highly underdetermined systems. To get a unique solution, a priori information must be therefore introduced. We here analyze the inversion of the gravity gradient tensor (GGT). Previous approaches to invert jointly or independently more gradient components are by Li (2001) proposing an algorithm using a depth weighting function and Zhdanov et alii (2004), providing a well focused inversion of gradient data. Both the methods give a much-improved solution compared with the minimum length solution, which is invariably shallow and not representative of the true source distribution. For very undetermined problems, this feature is due to the role of the depth weighting matrices used by both the methods. Recently, Cella and Fedi (2011) showed however that for magnetic and gravity data the depth weighting function has to be defined carefully, under a preliminary application of Euler Deconvolution or Depth from Extreme Point methods, yielding the appropriate structural index and then using it as the rate decay of the weighting function. We therefore propose to extend this last approach to invert jointly or independently the GGT tensor using the structural index as weighting function rate decay. In case of a joint inversion, gravity data can be added as well. This multicomponent case is also relevant because the simultaneous use of several components and gravity increase the number of data and reduce the algebraic ambiguity compared to the inversion of a single component. The reduction of such ambiguity was shown in Fedi et al, (2005) decisive to get an improved depth resolution in inverse problems, independently from any form of depth weighting function. The method is demonstrated to synthetic cases and applied to real cases, such as the Vredefort impact area (South Africa), characterized by a complex density

Inverse participation ratio and localization in topological insulator phase transitions

International Nuclear Information System (INIS)

Calixto, M; Romera, E

2015-01-01

Fluctuations of Hamiltonian eigenfunctions, measured by the inverse participation ratio (IPR), turn out to characterize topological-band insulator transitions occurring in 2D Dirac materials like silicene, which is isostructural with graphene but with a strong spin–orbit interaction. Using monotonic properties of the IPR, as a function of a perpendicular electric field (which provides a tunable band gap), we define topological-like quantum numbers that take different values in the topological-insulator and band-insulator phases. (paper)

Fabrication of polystyrene porous films with gradient pore structures

International Nuclear Information System (INIS)

Yan Hongwei; Zhang Lin; Li Bo; Yin Qiang

2010-01-01

Silica opals and multilayer heterostructures were fabricated by vertical deposition technique. Polystyrene inverse opals and gradient porous structures were obtained by colloidal templating, in order to control the pore microstructure of polymer porous materials. As shown in the scanning electron microscopy images, the polystyrene porous structures are precise replicas of inverse structures of the original templates. After being infiltrated with the polystyrene, the photonic stop-band position of the opal composite is redshifted compared with the original template, and it is blueshifted after the opal template being removed. The filling ratio of polystyrene was calculated according to the Bragg formula. (authors)

Valence band electronic structure of Pd based ternary chalcogenide superconductors

Energy Technology Data Exchange (ETDEWEB)

Lohani, H. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India); Mishra, P. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Goyal, R.; Awana, V.P.S. [National Physical Laboratory(CSIR), Dr. K. S. Krishnan Road, New Delhi 110012 (India); Sekhar, B.R., E-mail: sekhar@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India)

2016-12-15

Highlights: • VB Photoemission study and DFT calculations on Pd based ternary superconductors are presented. • Nb{sub 2}Pd{sub 0.95}S{sub 5} shows a temperature dependent pseudogap. • VB spectral features of ternary superconductors are correlated to their structural geometry. - Abstract: We present a comparative study of the valence band electronic structure of Pd based ternary chalcogenide superconductors Nb{sub 2}Pd{sub 0.95}S{sub 5}, Ta{sub 2}Pd{sub 0.97}S{sub 6} and Ta{sub 2}Pd{sub 0.97}Te{sub 6} using experimental photoemission spectroscopy and density functional based theoretical calculations. We observe a qualitatively similarity between valence band (VB) spectra of Nb{sub 2}Pd{sub 0.95}S{sub 5} and Ta{sub 2}Pd{sub 0.97}S{sub 6}. Further, we find a pseudogap feature in Nb{sub 2}Pd{sub 0.95}S{sub 5} at low temperature, unlike other two compounds. We have correlated the structural geometry with the differences in VB spectra of these compounds. The different atomic packing in these compounds could vary the strength of inter-orbital hybridization among various atoms which leads to difference in their electronic structure as clearly observed in our DOS calculations.

Plasmon mediated inverse Faraday effect in a graphene-dielectric-metal structure.

Science.gov (United States)

Bychkov, Igor V; Kuzmin, Dmitry A; Tolkachev, Valentine A; Plaksin, Pavel S; Shavrov, Vladimir G

2018-01-01

This Letter shows the features of inverse Faraday effect (IFE) in a graphene-dielectric-metal (GDM) structure. The constants of propagation and attenuation of the surface plasmon-polariton modes are calculated. The effective magnetic field induced by surface plasmon modes in the dielectric due to the IFE is estimated to reach above 1 tesla. The possibility to control the distribution of the magnetic field by chemical potential of graphene is shown. The concept of strain-driven control of the IFE in the structure has been proposed and investigated.

Band structure and unconventional electronic topology of CoSi

Science.gov (United States)

Pshenay-Severin, D. A.; Ivanov, Y. V.; Burkov, A. A.; Burkov, A. T.

2018-04-01

Semimetals with certain crystal symmetries may possess unusual electronic structure topology, distinct from that of the conventional Weyl and Dirac semimetals. Characteristic property of these materials is the existence of band-touching points with multiple (higher than two-fold) degeneracy and nonzero Chern number. CoSi is a representative of this group of materials exhibiting the so-called ‘new fermions’. We report on an ab initio calculation of the electronic structure of CoSi using density functional methods, taking into account the spin-orbit interactions. The linearized \

Electronic Band Structure of Helical Polyisocyanides.

Science.gov (United States)

Champagne, Benoît; Liégeois, Vincent; Fripiat, Joseph G; Harris, Frank E

2017-10-19

Restricted Hartree-Fock computations are reported for a methyl isocyanide polymer (repeating unit -C═N-CH 3 ), whose most stable conformation is expected to be a helical chain. The computations used a standard contracted Gaussian orbital set at the computational levels STO-3G, 3-21G, 6-31G, and 6-31G**, and studies were made for two line-group configurations motivated by earlier work and by studies of space-filling molecular models: (1) A structure of line-group symmetry L9 5 , containing a 9-fold screw axis with atoms displaced in the axial direction by 5/9 times the lattice constant, and (2) a structure of symmetry L4 1 that had been proposed, containing a 4-fold screw axis with translation by 1/4 of the lattice constant. Full use of the line-group symmetry was employed to cause most of the computational complexity to depend only on the size of the asymmetric repeating unit. Data reported include computed bond properties, atomic charge distribution, longitudinal polarizability, band structure, and the convoluted density of states. Most features of the description were found to be insensitive to the level of computational approximation. The work also illustrates the importance of exploiting line-group symmetry to extend the range of polymer structural problems that can be treated computationally.

Reducing support loss in micromechanical ring resonators using phononic band-gap structures

Energy Technology Data Exchange (ETDEWEB)

Hsu, Feng-Chia; Huang, Tsun-Che; Wang, Chin-Hung; Chang, Pin [Industrial Technology Research Institute-South, Tainan 709, Taiwan (China); Hsu, Jin-Chen, E-mail: fengchiahsu@itri.org.t, E-mail: hsujc@yuntech.edu.t [Department of Mechanical Engineering, National Yunlin University of Science and Technology, Douliou, Yunlin 64002, Taiwan (China)

2011-09-21

In micromechanical resonators, energy loss via supports into the substrates may lead to a low quality factor. To eliminate the support loss, in this paper a phononic band-gap structure is employed. We demonstrate a design of phononic-crystal (PC) strips used to support extensional wine-glass mode ring resonators to increase the quality factor. The PC strips are introduced to stop elastic-wave propagation by the band-gap and deaf-band effects. Analyses of resonant characteristics of the ring resonators and the dispersion relations, eigenmodes, and transmission properties of the PC strips are presented. With the proposed resonator architecture, the finite-element simulations show that the leaky power is effectively reduced and the stored energy inside the resonators is enhanced simultaneously as the operating frequencies of the resonators are within the band gap or deaf bands. Realization of a high quality factor micromechanical ring resonator with minimized support loss is expected.

Reducing support loss in micromechanical ring resonators using phononic band-gap structures

International Nuclear Information System (INIS)

Hsu, Feng-Chia; Huang, Tsun-Che; Wang, Chin-Hung; Chang, Pin; Hsu, Jin-Chen

2011-01-01

In micromechanical resonators, energy loss via supports into the substrates may lead to a low quality factor. To eliminate the support loss, in this paper a phononic band-gap structure is employed. We demonstrate a design of phononic-crystal (PC) strips used to support extensional wine-glass mode ring resonators to increase the quality factor. The PC strips are introduced to stop elastic-wave propagation by the band-gap and deaf-band effects. Analyses of resonant characteristics of the ring resonators and the dispersion relations, eigenmodes, and transmission properties of the PC strips are presented. With the proposed resonator architecture, the finite-element simulations show that the leaky power is effectively reduced and the stored energy inside the resonators is enhanced simultaneously as the operating frequencies of the resonators are within the band gap or deaf bands. Realization of a high quality factor micromechanical ring resonator with minimized support loss is expected.

A Novel Inversion Method of Manufacturing Flaws in the Packaging of Conformal Load-Bearing Antenna Structure

Directory of Open Access Journals (Sweden)

P. Li

2015-01-01

Full Text Available Composite material is widely used in the conformal load-bearing antenna structure (CLAS, and the manufacturing flaws in the packaging process of the CLAS will lead to the degradation of its wave-transparent property. For this problem, a novel inverse method of the flaw’s dimension by antenna-radome system’s far field data has been proposed. Two steps are included in the inversion: the first one is the inversion from the far filed data to the transmission coefficient of the CLAS’s radome; the second one is the inversion from the transmission coefficient to the flaw’s dimension. The inversion also has a good potential for the separable multilayer composite material radome. A 12.5 GHz CLAS with microstrip antenna array is used in the simulation, which indicates the effectiveness of the novel inversion method. Finally, the error analysis of the inversion method is presented by numerical simulation; the results is that the inversed error could be less than 10%, if the measurement error of far field data is less than 0.45 dB in amplitude and ±5° in phase.

Numerical and Experimental Investigation of Stop-Bands in Finite and Infinite Periodic One-Dimensional Structures

DEFF Research Database (Denmark)

Domadiya, Parthkumar Gandalal; Manconi, Elisabetta; Vanali, Marcello

2016-01-01

Adding periodicity to structures leads to wavemode interaction, which generates pass- and stop-bands. The frequencies at which stop-bands occur are related to the periodic nature of the structure. Thus structural periodicity can be shaped in order to design vibro-acoustic filters for reducing...... method deals with the evaluation of a vibration level difference (VLD) in a finite periodic structure embedded within an infinite one-dimensional waveguide. This VLD is defined to predict the performance in terms of noise and vibration insulation of periodic cells embedded in an otherwise uniform...

Autopsy on an RF-Processed X-band Travelling Wave Structure

International Nuclear Information System (INIS)

Le Pimpec, Frederic

2002-01-01

In an effort to locate the cause(s) of high electric-field breakdown in x-band accelerating structures, we have cleanly-autopsied (no debris added by post-operation structure disassembly) an RF-processed structure. Macroscopic localization provided operationally by RF reflected wave analysis and acoustic sensor pickup was used to connect breakdowns to autopsied crater damage areas. Surprisingly, the microscopic analyses showed breakdown craters in areas of low electric field. High currents induced by the magnetic field on sharp corners of the input coupler appears responsible for the extreme breakdown damage observed

Efficient band structure modulations in two-dimensional MnPSe3/CrSiTe3 van der Waals heterostructures

Science.gov (United States)

Pei, Qi; Wang, Xiaocha; Zou, Jijun; Mi, Wenbo

2018-05-01

As a research upsurge, van der Waals (vdW) heterostructures give rise to numerous combined merits and novel applications in nanoelectronics fields. Here, we systematically investigate the electronic structure of MnPSe3/CrSiTe3 vdW heterostructures with various stacking patterns. Then, particular attention of this work is paid on the band structure modulations in MnPSe3/CrSiTe3 vdW heterostructures via biaxial strain or electric field. Under a tensile strain, the relative band edge positions of heterostructures transform from type-I (nested) to type-II (staggered). The relocation of conduction band minimum also brings about a transition from indirect to direct band gap. Under a compressive strain, the electronic properties change from semiconducting to metallic. The physical mechanism of strain-dependent band structure may be ascribed to the shifts of the energy bands impelled by different superposition of atomic orbitals. Meanwhile, our calculations manifest that band gap values of MnPSe3/CrSiTe3 heterostructures are insensitive to the electric field. Even so, by applying a suitable intensity of negative electric field, the band alignment transition from type-I to type-II can also be realized. The efficient band structure modulations via external factors endow MnPSe3/CrSiTe3 heterostructures with great potential in novel applications, such as strain sensors, photocatalysis, spintronic and photoelectronic devices.

Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations

Science.gov (United States)

Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Myronchuk, G. L.; Khvyshchun, M.; Fedorchuk, A. O.; Parasyuk, O. V.; Khyzhun, O. Y.

2015-04-01

High-quality single crystal of cesium mercury tetraiodide, Cs2HgI4, has been synthesized by the vertical Bridgman-Stockbarger method and its crystal structure has been refined. In addition, electronic structure and optical properties of Cs2HgI4 have been studied. For the crystal under study, X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated surfaces have been measured. The present X-ray photoelectron spectroscopy (XPS) results indicate that the Cs2HgI4 single crystal surface is very sensitive with respect to Ar+ ion-irradiation. In particular, Ar+ bombardment of the single crystal surface alters the elemental stoichiometry of the Cs2HgI4 surface. To elucidate peculiarities of the energy distribution of the electronic states within the valence-band and conduction-band regions of the Cs2HgI4 compound, we have performed first-principles band-structure calculations based on density functional theory (DFT) as incorporated in the WIEN2k package. Total and partial densities of states for Cs2HgI4 have been calculated. The DFT calculations reveal that the I p states make the major contributions in the upper portion of the valence band, while the Hg d, Cs p and I s states are the dominant contributors in its lower portion. Temperature dependence of the light absorption coefficient and specific electrical conductivity has been explored for Cs2HgI4 in the temperature range of 77-300 K. Main optical characteristics of the Cs2HgI4 compound have been elucidated by the first-principles calculations.

Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.

Science.gov (United States)

Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

2015-06-18

We have performed ab initio calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without self-consistent screening), Grimme's methods (D2, D3(BJ)), and the vdW-DF method. Our results reveal that dispersion correction methods are essential in understanding these complex structures with van der Waals interactions and hydrogen bonding. The calculated ground state volumes and bulk moduli show that the performance of each method is not unique, and therefore a careful examination is mandatory for interpreting theoretical predictions. This work also emphasizes the importance of quasiparticle calculations in predicting the band gap, which is obtained here with the GW approximation. We find that the obtained band gaps are ranging from 4 to 7 eV for the different compounds, indicating their insulating nature. In addition, we show the essential role of quasiparticle band structure calculations to correlate the gap with the energetic properties.

Study on the Effect of Secondary Banded Structure on the Fatigue Property of Non-Quenched and Tempered Micro Alloyed Steel

Science.gov (United States)

Yajie, Cheng; Qingliang, Liao; Yue, Zhang

Due to composition segregation and cooling speed, streamline or banded structure were often obtained in the thermal forming parts along the direction of parts forming. Generally speaking, banded structure doesn't decrease the longitudinal mechanical properties, so the secondary banded structure can't get enough attention. The effect of secondary banded structure on the fatigue properties of micro alloyed DG20Mn and 35CrMo steel was investigated using the axial tensile fatigue test of stress ratio of 0.1. The result shows that secondary banded structure was obtained in the center of the steel parts, because of the composition segregation and the lower cooling rate in center part of steel. Secondary banded structure has no significant effect on axial tensile properties of both DG20Mn and 35CrMo, but decreases the axial tensile fatigue performance of DG20Mn steel. This study suggests that under the high cyclic tensile stress, multi-source damage cracks in steel initiated by large strain of pearlite of secondary banded structure, which is larger than damage strain, is the major factor of the decrease of fatigue life of steel.

Development of small C-band standing-wave accelerator structure

International Nuclear Information System (INIS)

Miura, S.; Takahashi, A.; Hisanaga, N.; Sekido, H.; Yoshizumi, A.

2000-01-01

We have newly developed a compact C-band (5712 MHz) standing-wave accelerator for the medical product/waste sterilization applications. The accelerator consists of an electron gun operating at 25 kV DC followed by a single-cell pre-buncher and 3-cell buncher section, and 11-cell of the side-coupled standing-wave accelerating structure. The total length including the electron gun is about 600 mm. The first high-power test was performed in March 2000, where the accelerator successively generated the electron beam of 9 MeV energy and 160 mA peak-current at 3.8 MW RF input power. Mitsubishi Heavy Industry starts to serve the sterilization systems using C-band accelerator reported here, and also supplies the accelerator components for the medical oncology applications. (author)

Design of UWB Monopole Antenna with Dual Notched Bands Using One Modified Electromagnetic-Bandgap Structure

Directory of Open Access Journals (Sweden)

Hao Liu

2013-01-01

Full Text Available A modified electromagnetic-bandgap (M-EBG structure and its application to planar monopole ultra-wideband (UWB antenna are presented. The proposed M-EBG which comprises two strip patch and an edge-located via can perform dual notched bands. By properly designing and placing strip patch near the feedline, the proposed M-EBG not only possesses a simple structure and compact size but also exhibits good band rejection. Moreover, it is easy to tune the dual notched bands by altering the dimensions of the M-EBG. A demonstration antenna with dual band-notched characteristics is designed and fabricated to validate the proposed method. The results show that the proposed antenna can satisfy the requirements of VSWR < 2 over UWB 3.1–10.6 GHz, except for the rejected bands of the world interoperability for microwave access (WiMAX and the wireless local area network (WLAN at 3.5 GHz and 5.5 GHz, respectively.

Design of UWB Monopole Antenna with Dual Notched Bands Using One Modified Electromagnetic-Bandgap Structure

Science.gov (United States)

Xu, Ziqiang

2013-01-01

A modified electromagnetic-bandgap (M-EBG) structure and its application to planar monopole ultra-wideband (UWB) antenna are presented. The proposed M-EBG which comprises two strip patch and an edge-located via can perform dual notched bands. By properly designing and placing strip patch near the feedline, the proposed M-EBG not only possesses a simple structure and compact size but also exhibits good band rejection. Moreover, it is easy to tune the dual notched bands by altering the dimensions of the M-EBG. A demonstration antenna with dual band-notched characteristics is designed and fabricated to validate the proposed method. The results show that the proposed antenna can satisfy the requirements of VSWR WLAN) at 3.5 GHz and 5.5 GHz, respectively. PMID:24170984

Strain effect on graphene nanoribbon carrier statistic in the presence of non-parabolic band structure

International Nuclear Information System (INIS)

Izuani Che Rosid, N A; Ahmadi, M T; Ismail, Razali

2016-01-01

The effect of tensile uniaxial strain on the non-parabolic electronic band structure of armchair graphene nanoribbon (AGNR) is investigated. In addition, the density of states and the carrier statistic based on the tight-binding Hamiltonian are modeled analytically. It is found that the property of AGNR in the non-parabolic band region is varied by the strain. The tunable energy band gap in AGNR upon strain at the minimum energy is described for each of n-AGNR families in the non-parabolic approximation. The behavior of AGNR in the presence of strain is attributed to the breakable AGNR electronic band structure, which varies the physical properties from its normality. The linear relation between the energy gap and the electrical properties is featured to further explain the characteristic of the deformed AGNR upon strain. (paper)

Crystal structure, electrical properties and electronic band structure of tantalum ditelluride

CERN Document Server

Vernes, A; Bensch, W; Heid, W; Naether, C

1998-01-01

Motivated by the unexpectedly strong influence of the Te atoms on the structural and bonding properties of the transition metal tellurides, we have performed a detailed study of TaTe sub 2. Experimentally, this comprises a crystal structure determination as well as electrical resistivity measurements. The former analysis leads to an accurate update of the structural data reported in the 1960s, while the latter provides evidence for the mainly electronic character of scattering processes leading to the electrical conductivity. In addition, the electronic properties of TaTe sub 2 have been calculated using the TB-LMTO method. The partial density of states reflects the close connection of the Ta zigzag chains and the Te-Te network. This finding explains the charge transfer in the system in a rather simple way. The orthogonal-orbital character of the bands proved the existence of pi-bonds. The Fermi-surface study supports the interpretation of the experimental resistivity measurements. (author)

Color Tunable and Upconversion Luminescence in Yb-Tm Co-Doped Yttrium Phosphate Inverse Opal Photonic Crystals.

Science.gov (United States)

Wang, Siqin; Qiu, Jianbei; Wang, Qi; Zhou, Dacheng; Yang, Zhengwen

2016-04-01

For this paper, YPO4: Tm, Yb inverse opals with the photonic band gaps at 475 nm and 655 nm were prepared by polystyrene colloidal crystal templates. We investigated the influence of photonic band gaps on the Tm-Yb upconversion emission which was in the YPO4: Tm Yb inverse opal photonic crystals. Comparing with the reference sample, significant suppression of both the blue and red upconversion luminescence of Tm3+ ions were observed in the inverse opals. The color purity of the blue emission was improved in the inverse opal by the suppression of red upconversion emission. Additionally, mechanism of upconversion emission in the inverse opal was discussed. We believe that the present work will be valuable for not only the foundational study of upconversion emission modification but also the development of new optical devices in upconversion lighting and display.

Lower Crstal Reflectity bands and Magma Emplacement in Norweigian sea, NE Atlantic

Science.gov (United States)

Rai, A.; Breivik, A. J.; Mjelde, R.

2013-12-01

In this study we present the OBS data collected along seismic profiles in the norweigian sea. The traveltime modelling of the OBS data provides first-hand information about seismic structure of the subsurface. However, waveform modelling is used to further constrain the fine scale structure, velocity constrast and velocity gradients. By forward modelling and inversion of the seismic waveforms, we show that the multiple bands of reflectivity could be due to multiple episodes of magma emplacements that might have frozen in the form of sills. These mafic intrusions probably intruded into the ductile lower crust during the main rifting phase of Europe and Greenland.

Boundary element inverse analysis for rebar corrosion detection: Study on the 2004 tsunami-affected structure in Aceh

Directory of Open Access Journals (Sweden)

S. Fonna

2018-06-01

Full Text Available Evaluation of rebar/reinforcing-steel corrosion for the 2004 tsunami-affected reinforced concrete (RC buildings in Aceh was conducted using half-cell potential mapping technique. However, the results only show qualitative meaning as corrosion risk rather than the corrosion itself, such as the size and location of corrosion. In this study, boundary element inverse analysis was proposed to be performed to detect rebar corrosion of the 2004 tsunami-affected structure in Aceh, using several electrical potential measurement data on the concrete surface. One RC structure in Peukan Bada, an area heavily damaged by the tsunami, was selected for the study. In 2004 the structure was submerged more than 5 m by the tsunami. Boundary element inverse analysis was developed by combining the boundary element method (BEM and particle swarm optimization (PSO. The corrosion was detected by evaluating measured and calculated electrical potential data. The measured and calculated electrical potential on the concrete surface was obtained by using a half-cell potential meter and by performing BEM, respectively. The solution candidates were evaluated by employing PSO. Simulation results show that boundary element inverse analysis successfully detected the size and location of corrosion for the case study. Compared with the actual corrosion, the error of simulation result was less than 5%. Hence, it shows that boundary element inverse analysis is very promising for further development to detect rebar corrosion. Keywords: Inverse analysis, Boundary element method, PSO, Corrosion, Reinforced concrete

Inverse photoemission of uranium oxides

International Nuclear Information System (INIS)

Roussel, P.; Morrall, P.; Tull, S.J.

2009-01-01

Understanding the itinerant-localised bonding role of the 5f electrons in the light actinides will afford an insight into their unusual physical and chemical properties. In recent years, the combination of core and valance band electron spectroscopies with theoretic modelling have already made significant progress in this area. However, information of the unoccupied density of states is still scarce. When compared to the forward photoemission techniques, measurements of the unoccupied states suffer from significantly less sensitivity and lower resolution. In this paper, we report on our experimental apparatus, which is designed to measure the inverse photoemission spectra of the light actinides. Inverse photoemission spectra of UO 2 and UO 2.2 along with the corresponding core and valance electron spectra are presented in this paper. UO 2 has been reported previously, although through its inclusion here it allows us to compare and contrast results from our experimental apparatus to the previous Bremsstrahlung Isochromat Spectroscopy and Inverse Photoemission Spectroscopy investigations

Estimation of photonic band gap in the hollow core cylindrical multilayer structure

Science.gov (United States)

Chourasia, Ritesh Kumar; Singh, Vivek

2018-04-01

The propagation characteristic of two hollow core cylindrical multilayer structures having high and low refractive index contrast of cladding regions have been studied and compared at two design wavelengths i.e. 1550 nm and 632.8 nm. With the help of transfer matrix method a relation between the incoming light wave and outgoing light wave has been developed using the boundary matching technique. In high refractive index contrast, small numbers of layers are sufficient to provide perfect band gap in both design wavelengths. The spectral position and width of band gap is highly depending on the optical path of incident light in all considered cases. For sensing application, the sensitivity of waveguide can be obtained either by monitoring the width of photonic band gap or by monitoring the spectral shift of photonic band gap. Change in the width of photonic band gap with the core refractive index is larger in high refractive index contrast of cladding materials. However, in the case of monitoring the spectral shift of band gap, the obtained sensitivity is large for low refractive index contrast of cladding materials and further it increases with increase of design wavelength.

Banded Structures in Electron Pitch Angle Diffusion Coefficients from Resonant Wave-Particle Interactions

Science.gov (United States)

Tripathi, A. K.; Singhal, R. P.; Khazanov, G. V.; Avanov, L. A.

2016-01-01

Electron pitch angle (D(sub (alpha alpha))) and momentum (D(sub pp)) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L=4.6 and 6.8 for electron energies less than or equal to 10 keV. Landau (n=0) resonance and cyclotron harmonic resonances n= +/- 1, +/-2, ... +/-5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (alpha) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusion coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n=+1 and n=+2. A major contribution to momentum diffusion coefficients appears from n=+2. However, the banded structures in D(sub alpha alpha) and D(sub pp) coefficients appear only in the profile of diffusion coefficients for n=+2. The contribution of other resonances to diffusion coefficients is found to be, in general, quite small or even negligible. For LBC and upper band chorus waves, the banded structures appear only in Landau resonance. The D(sub pp) diffusion coefficient for ECH waves is one to two orders smaller than D(sub alpha alpha) coefficients. For chorus waves, D(sub pp) coefficients are about an order of magnitude smaller than D(sub alpha alpha) coefficients for the case n does not equal 0. In case of Landau resonance, the values of D(sub pp) coefficient are generally larger than the values of D(sub alpha alpha) coefficients particularly at lower energies. As an aid to the interpretation of results, we have also determined the resonant frequencies. For ECH waves, resonant frequencies have been estimated for wave normal angle 89 deg and harmonic resonances

The structure of rotational bands in alpha-cluster nuclei

Directory of Open Access Journals (Sweden)

Bijker Roelof

2015-01-01

Full Text Available In this contribution, I discuss an algebraic treatment of alpha-cluster nuclei based on the introduction of a spectrum generating algebra for the relative motion of the alpha-clusters. Particular attention is paid to the discrete symmetry of the geometric arrangement of the α-particles, and the consequences for the structure of the rotational bands in the 12C and 16O nuclei.

A function space framework for structural total variation regularization with applications in inverse problems

Science.gov (United States)

Hintermüller, Michael; Holler, Martin; Papafitsoros, Kostas

2018-06-01

In this work, we introduce a function space setting for a wide class of structural/weighted total variation (TV) regularization methods motivated by their applications in inverse problems. In particular, we consider a regularizer that is the appropriate lower semi-continuous envelope (relaxation) of a suitable TV type functional initially defined for sufficiently smooth functions. We study examples where this relaxation can be expressed explicitly, and we also provide refinements for weighted TV for a wide range of weights. Since an integral characterization of the relaxation in function space is, in general, not always available, we show that, for a rather general linear inverse problems setting, instead of the classical Tikhonov regularization problem, one can equivalently solve a saddle-point problem where no a priori knowledge of an explicit formulation of the structural TV functional is needed. In particular, motivated by concrete applications, we deduce corresponding results for linear inverse problems with norm and Poisson log-likelihood data discrepancy terms. Finally, we provide proof-of-concept numerical examples where we solve the saddle-point problem for weighted TV denoising as well as for MR guided PET image reconstruction.

An unusual haplotype structure on human chromosome 8p23 derived from the inversion polymorphism.

Science.gov (United States)

Deng, Libin; Zhang, Yuezheng; Kang, Jian; Liu, Tao; Zhao, Hongbin; Gao, Yang; Li, Chaohua; Pan, Hao; Tang, Xiaoli; Wang, Dunmei; Niu, Tianhua; Yang, Huanming; Zeng, Changqing

2008-10-01

Chromosomal inversion is an important type of genomic variations involved in both evolution and disease pathogenesis. Here, we describe the refined genetic structure of a 3.8-Mb inversion polymorphism at chromosome 8p23. Using HapMap data of 1,073 SNPs generated from 209 unrelated samples from CEPH-Utah residents with ancestry from northern and western Europe (CEU); Yoruba in Ibadan, Nigeria (YRI); and Asian (ASN) samples, which were comprised of Han Chinese from Beijing, China (CHB) and Japanese from Tokyo, Japan (JPT)-we successfully deduced the inversion orientations of all their 418 haplotypes. In particular, distinct haplotype subgroups were identified based on principal component analysis (PCA). Such genetic substructures were consistent with clustering patterns based on neighbor-joining tree reconstruction, which revealed a total of four haplotype clades across all samples. Metaphase fluorescence in situ hybridization (FISH) in a subset of 10 HapMap samples verified their inversion orientations predicted by PCA or phylogenetic tree reconstruction. Positioning of the outgroup haplotype within one of YRI clades suggested that Human NCBI Build 36-inverted order is most likely the ancestral orientation. Furthermore, the population differentiation test and the relative extended haplotype homozygosity (REHH) analysis in this region discovered multiple selection signals, also in a population-specific manner. A positive selection signal was detected at XKR6 in the ASN population. These results revealed the correlation of inversion polymorphisms to population-specific genetic structures, and various selection patterns as possible mechanisms for the maintenance of a large chromosomal rearrangement at 8p23 region during evolution. In addition, our study also showed that haplotype-based clustering methods, such as PCA, can be applied in scanning for cryptic inversion polymorphisms at a genome-wide scale.

Largely Tunable Band Structures of Few-Layer InSe by Uniaxial Strain.

Science.gov (United States)

Song, Chaoyu; Fan, Fengren; Xuan, Ningning; Huang, Shenyang; Zhang, Guowei; Wang, Chong; Sun, Zhengzong; Wu, Hua; Yan, Hugen

2018-01-31

Because of the strong quantum confinement effect, few-layer γ-InSe exhibits a layer-dependent band gap, spanning the visible and near infrared regions, and thus recently has been drawing tremendous attention. As a two-dimensional material, the mechanical flexibility provides an additional tuning knob for the electronic structures. Here, for the first time, we engineer the band structures of few-layer and bulk-like InSe by uniaxial tensile strain and observe a salient shift of photoluminescence peaks. The shift rate of the optical gap is approximately 90-100 meV per 1% strain for four- to eight-layer samples, which is much larger than that for the widely studied MoS 2 monolayer. Density functional theory calculations well reproduce the observed layer-dependent band gaps and the strain effect and reveal that the shift rate decreases with the increasing layer number for few-layer InSe. Our study demonstrates that InSe is a very versatile two-dimensional electronic and optoelectronic material, which is suitable for tunable light emitters, photodetectors, and other optoelectronic devices.

Electronic structures and valence band splittings of transition metals doped GaNs

International Nuclear Information System (INIS)

Lee, Seung-Cheol; Lee, Kwang-Ryeol; Lee, Kyu-Hwan

2007-01-01

For a practical viewpoint, presence of spin splitting of valence band in host semiconductors by the doping of transition metal (TM) ions is an essential property when designing a diluted magnetic semiconductors (DMS) material. The first principle calculations were performed on the electronic and magnetic structure of 3d transition metal doped GaN. V, Cr, and Mn doped GaNs could not be candidates for DMS materials since most of their magnetic moments is concentrated on the TM ions and the splittings of valence band were negligible. In the cases of Fe, Co, Ni, and Cu doped GaNs, on the contrary, long-ranged spin splitting of valence band was found, which could be candidates for DMS materials

Effect of structural distortion on the electronic band structure of NaOsO3 studied within density functional theory and a three-orbital model

Science.gov (United States)

Mohapatra, Shubhajyoti; Bhandari, Churna; Satpathy, Sashi; Singh, Avinash

2018-04-01

Effects of the structural distortion associated with the OsO6 octahedral rotation and tilting on the electronic band structure and magnetic anisotropy energy for the 5 d3 compound NaOsO3 are investigated using the density functional theory (DFT) and within a three-orbital model. Comparison of the essential features of the DFT band structures with the three-orbital model for both the undistorted and distorted structures provides insight into the orbital and directional asymmetry in the electron hopping terms resulting from the structural distortion. The orbital mixing terms obtained in the transformed hopping Hamiltonian resulting from the octahedral rotations are shown to account for the fine features in the DFT band structure. Staggered magnetization and the magnetic character of states near the Fermi energy indicate weak coupling behavior.

Hybrid functional band gap calculation of SnO{sub 6} containing perovskites and their derived structures

Energy Technology Data Exchange (ETDEWEB)

Lee, Hyewon [Department of Physics, Pusan National University, Pusan 609-735, Republic of South Korea (Korea, Republic of); Cheong, S.W. [Rutgers Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854 (United States); Kim, Bog G., E-mail: boggikim@pusan.ac.kr [Department of Physics, Pusan National University, Pusan 609-735, Republic of South Korea (Korea, Republic of)

2015-08-15

We have studied the properties of SnO{sub 6} octahedra-containing perovskites and their derived structures using ab initio calculations with different density functionals. In order to predict the correct band gap of the materials, we have used B3LYP hybrid density functional, and the results of B3LYP were compared with those obtained using the local density approximation and generalized gradient approximation data. The calculations have been conducted for the orthorhombic ground state of the SnO{sub 6} containing perovskites. We also have expended the hybrid density functional calculation to the ASnO{sub 3}/A'SnO{sub 3} system with different cation orderings. We propose an empirical relationship between the tolerance factor and the band gap of SnO{sub 6} containing oxide materials based on first principles calculation. - Graphical abstract: (a) Structure of ASnO{sub 3} for orthorhombic ground state. The green ball is A (Ba, Sr, Ca) cation and the small (red) ball on edge is oxygen. SnO{sub 6} octahedrons are plotted as polyhedron. (b) Band gap of ASnO{sub 3} as a function of the tolerance factor for different density functionals. The experimental values of the band gap are marked as green pentagons. (c) ASnO{sub 3}/A'SnO{sub 3} superlattices with two types cation arrangement: [001] layered structure and [111] rocksalt structure, respectively. (d) B3LYP hybrid functional band gaps of ASnO{sub 3}, [001] ordered superlattices, and [111] ordered superlattices of ASnO{sub 3}/A'SnO{sub 3} as a function of the effective tolerance factor. Note the empirical linear relationship between the band gap and effective tolerance factor. - Highlights: • We report the hybrid functional band gap calculation of ASnO{sub 3} and ASnO{sub 3}/A'SnO{sub 3}. • The band gap of ASnO{sub 3} using B3LYP functional reproduces the experimental value. • We propose the linear relationship between the tolerance factor and the band gap.

Study of band structure of some odd proton Eu isotopes

International Nuclear Information System (INIS)

Pandit, Rakesh K.; Rani Devi; Khosa, S.K.

2016-01-01

Much work has been done on the odd-Z, odd-A nuclei in the rare earth region because of occurrence of fascinating variety of structures of nuclei in this mass region. The Eu nuclei are in the transitional deformation region and it provides an opportunity to investigate theoretically the deformation changes with mass number and excitation energy besides to study the structure of their excited states. The 153 Eu nucleus has been well studied over the last two decades. The aim of the present work is to study in detail the band structure of some odd-Z nuclei

Newton`s iteration for inversion of Cauchy-like and other structured matrices

Energy Technology Data Exchange (ETDEWEB)

Pan, V.Y. [Lehman College, Bronx, NY (United States); Zheng, Ailong; Huang, Xiaohan; Dias, O. [CUNY, New York, NY (United States)

1996-12-31

We specify some initial assumptions that guarantee rapid refinement of a rough initial approximation to the inverse of a Cauchy-like matrix, by mean of our new modification of Newton`s iteration, where the input, output, and all the auxiliary matrices are represented with their short generators defined by the associated scaling operators. The computations are performed fast since they are confined to operations with short generators of the given and computed matrices. Because of the known correlations among various structured matrices, the algorithm is immediately extended to rapid refinement of rough initial approximations to the inverses of Vandermonde-like, Chebyshev-Vandermonde-like and Toeplitz-like matrices, where again, the computations are confined to operations with short generators of the involved matrices.

Structure of intruder band in "1"1"9"-"1"2"9Xe

International Nuclear Information System (INIS)

Sharma, H.P.; Chakraborty, S.; Tiwary, S.S.

2017-01-01

Xe isotopes in A∼130 mass region are known for their variety of structural phenomena, such as, unexpected signature splitting, signature inversion, γ-vibration etc. These phenomena are associated to axialy asymmetric shape. The triaxial shape in Xe nuclei are expected to originate due to the availability of prolate driving low-Ω πh_1_1_/_2 orbital and oblate driving high-Ω νh11/2 orbital near Fermi surface. The observed experimental E (4"+)/E (2"+) value (∼2.5) also support the γ-soft nature of these nuclei. Interestingly, both proton and neutron alignments have been observed in νh_1_1_/_2 band in "1"1"9"-"1"2"5Xe and neutron alignment dominates. In "1"2"9Xe, proton alignment reported to dominate. It is also supported by TPRM calculations, although, there are no significant change in the neutron orbitals. Whether this change in the alignment is occurred at N=75 or 73 is not known. Therefore, it is interesting to understand the status of the neutron and proton alignment in "1"2"7Xe, which are not studied well. Hence, in-beam γ-ray spectroscopy of "1"2"7Xe was carried out using "1"2"2Sn("9Be, 4nγ) fusion-evaporation reaction at 48 MeV using INGA facility at Inter-University Accelerator Centre, New Delhi. Details of the analysis and results will be discussed during the conference. (author)

Graphene-insulator-semiconductor capacitors as superior test structures for photoelectric determination of semiconductor devices band diagrams

Directory of Open Access Journals (Sweden)

K. Piskorski

2018-05-01

Full Text Available We report on the advantages of using Graphene-Insulator-Semiconductor (GIS instead of Metal-Insulator-Semiconductor (MIS structures in reliable and precise photoelectric determination of the band alignment at the semiconductor-insulator interface and of the insulator band gap determination. Due to the high transparency to light of the graphene gate in GIS structures large photocurrents due to emission of both electrons and holes from the substrate and negligible photocurrents due to emission of carriers from the gate can be obtained, which allows reliable determination of barrier heights for both electrons, Ee and holes, Eh from the semiconductor substrate. Knowing the values of both Ee and Eh allows direct determination of the insulator band gap EG(I. Photoelectric measurements were made of a series of Graphene-SiO2-Si structures and an example is shown of the results obtained in sequential measurements of the same structure giving the following barrier height values: Ee = 4.34 ± 0.01 eV and Eh = 4.70 ± 0.03 eV. Based on this result and results obtained for other structures in the series we conservatively estimate the maximum uncertainty of both barrier heights estimations at ± 0.05 eV. This sets the SiO2 band gap estimation at EG(I = 7.92 ± 0.1 eV. It is shown that widely different SiO2 band gap values were found by research groups using various determination methods. We hypothesize that these differences are due to different sensitivities of measurement methods used to the existence of the SiO2 valence band tail.

Graphene-insulator-semiconductor capacitors as superior test structures for photoelectric determination of semiconductor devices band diagrams

Science.gov (United States)

Piskorski, K.; Passi, V.; Ruhkopf, J.; Lemme, M. C.; Przewlocki, H. M.

2018-05-01

We report on the advantages of using Graphene-Insulator-Semiconductor (GIS) instead of Metal-Insulator-Semiconductor (MIS) structures in reliable and precise photoelectric determination of the band alignment at the semiconductor-insulator interface and of the insulator band gap determination. Due to the high transparency to light of the graphene gate in GIS structures large photocurrents due to emission of both electrons and holes from the substrate and negligible photocurrents due to emission of carriers from the gate can be obtained, which allows reliable determination of barrier heights for both electrons, Ee and holes, Eh from the semiconductor substrate. Knowing the values of both Ee and Eh allows direct determination of the insulator band gap EG(I). Photoelectric measurements were made of a series of Graphene-SiO2-Si structures and an example is shown of the results obtained in sequential measurements of the same structure giving the following barrier height values: Ee = 4.34 ± 0.01 eV and Eh = 4.70 ± 0.03 eV. Based on this result and results obtained for other structures in the series we conservatively estimate the maximum uncertainty of both barrier heights estimations at ± 0.05 eV. This sets the SiO2 band gap estimation at EG(I) = 7.92 ± 0.1 eV. It is shown that widely different SiO2 band gap values were found by research groups using various determination methods. We hypothesize that these differences are due to different sensitivities of measurement methods used to the existence of the SiO2 valence band tail.

Neuro-fuzzy inverse model control structure of robotic manipulators utilized for physiotherapy applications

Directory of Open Access Journals (Sweden)

A.A. Fahmy

2013-12-01

Full Text Available This paper presents a new neuro-fuzzy controller for robot manipulators. First, an inductive learning technique is applied to generate the required inverse modeling rules from input/output data recorded in the off-line structure learning phase. Second, a fully differentiable fuzzy neural network is developed to construct the inverse dynamics part of the controller for the online parameter learning phase. Finally, a fuzzy-PID-like incremental controller was employed as Feedback servo controller. The proposed control system was tested using dynamic model of a six-axis industrial robot. The control system showed good results compared to the conventional PID individual joint controller.

Ab initio electronic band structure calculation of InP in the wurtzite phase

Science.gov (United States)

Dacal, Luis C. O.; Cantarero, Andrés

2011-05-01

We present ab initio calculations of the InP band structure in the wurtzite phase and compare it with that of the zincblende phase. In both calculations, we use the full potential linearized augmented plane wave method as implemented in the WIEN2k code and the modified Becke-Johnson exchange potential, which provides an improved value of the bandgap. The structural optimization of the wurtizte InP gives a=0.4150 nm, c=0.6912 nm, and an internal parameter u=0.371, showing the existence of a spontaneous polarization along the growth axis. As compared to the ideal wurtzite structure (that with the lattice parameter derived from the zincblende structure calculations), the actual wurtzite structure is compressed (-1.3%) in plane and expanded (0.7%) along the c-direction. The value of the calculated band gaps agrees well with recent optical experiments. The calculations are also consistent with the optical transitions found using polarized light.

Study of structural phase transformation and hysteresis behavior of inverse-spinel α-ferrite nanoparticles synthesized by co-precipitation method

Science.gov (United States)

Dabagh, Shadab; Chaudhary, Kashif; Haider, Zuhaib; Ali, Jalil

2018-03-01

Substitution of cobalt (Co2+) ions in cobalt ferrite (CoFe2O4) with copper (Cu2+) and aluminum (Al3+) ions allows variations in their electric and magnetic properties which can be optimized for specific applications. In this article, synthesis of inverse-spinel Co1-xCuxFe2-xAlxO4 (0.0 ≤ x ≤ 0.8) nanoparticles by substituting Cu2+ and Al3+ ions in CoFe2O4 via co-precipitation method is reported. By controlling copper and aluminum (Cu-Al) substituent ratio, the magnetic moment and coercivity of synthesized cobalt ferrite nanoparticles is optimized. The role of substituents on the structure, particle size, morphology, and magnetic properties of nano-crystalline ferrite is investigated. The Co1-xCuxFe2-xAlxO4 (0.0 ≤ x≤ 0.8) nanoparticles with crystallite size in the range of 23.1-26.5 nm are observed, 26.5 nm for x = 0.0-23.1 nm for x = 0.8. The inverse-spinel structure of synthesized Co1-xCuxFe2-xAlxO4 (0.0 ≤ x ≤ 0.8) nano-particles is confirmed by characteristic vibrational bands at tetrahedral and octahedral sites using Fourier transform infrared spectroscopy. A decreases in coercive field and magnetic moment is observed as Cu-Al contents are increased (x = 0.0-0.8). The positive anisotropy of synthesized particles Co1-xCuxFe2-xAlxO4 (0.0 ≤ x ≤ 0.8) is obtained in the range 1.96 × 105 J/m3 for x = 0.0 to 0.29 × 105 J/m3 for x = 0.8.

Structural analysis, electronic properties, and band gaps of a graphene nanoribbon: A new 2D materials

Science.gov (United States)

Dass, Devi

2018-03-01

Graphene nanoribbon (GNR), a new 2D carbon nanomaterial, has some unique features and special properties that offer a great potential for interconnect, nanoelectronic devices, optoelectronics, and nanophotonics. This paper reports the structural analysis, electronic properties, and band gaps of a GNR considering different chirality combinations obtained using the pz orbital tight binding model. In structural analysis, the analytical expressions for GNRs have been developed and verified using the simulation for the first time. It has been found that the total number of unit cells and carbon atoms within an overall unit cell and molecular structure of a GNR have been changed with the change in their chirality values which are similar to the values calculated using the developed analytical expressions thus validating both the simulation as well as analytical results. Further, the electronic band structures at different chirality values have been shown for the identification of metallic and semiconductor properties of a GNR. It has been concluded that all zigzag edge GNRs are metallic with very small band gaps range whereas all armchair GNRs show both the metallic and semiconductor nature with very small and high band gaps range. Again, the total number of subbands in each electronic band structure is equal to the total number of carbon atoms present in overall unit cell of the corresponding GNR. The semiconductors GNRs can be used as a channel material in field effect transistor suitable for advanced CMOS technology whereas the metallic GNRs could be used for interconnect.

EFFECTIVE HYPERFINE-STRUCTURE FUNCTIONS OF AMMONIA

Energy Technology Data Exchange (ETDEWEB)

Augustovičová, L.; Soldán, P.; Špirko, V., E-mail: spirko@marge.uochb.cas.cz [Charles University in Prague, Faculty of Mathematics and Physics, Department of Chemical Physics and Optics, Ke Karlovu 3, CZ-12116 Prague 2 (Czech Republic)

2016-06-20

The hyperfine structure of the rotation-inversion ( v {sub 2} = 0{sup +}, 0{sup −}, 1{sup +}, 1{sup −}) states of the {sup 14}NH{sub 3} and {sup 15}NH{sub 3} ammonia isotopomers is rationalized in terms of effective (ro-inversional) hyperfine-structure (hfs) functions. These are determined by fitting to available experimental data using the Hougen’s effective hyperfine-structure Hamiltonian within the framework of the non-rigid inverter theory. Involving only a moderate number of mass independent fitting parameters, the fitted hfs functions provide a fairly close reproduction of a large majority of available experimental data, thus evidencing adequacy of these functions for reliable prediction. In future experiments, this may help us derive spectroscopic constants of observed inversion and rotation-inversion transitions deperturbed from hyperfine effects. The deperturbed band centers of ammonia come to the forefront of fundamental physics especially as the probes of a variable proton-to-electron mass ratio.

Electronic band structure study of colossal magnetoresistance in Tl 2Mn 2O 7

Science.gov (United States)

Seo, D.-K.; Whangbo, M.-H.; Subramanian, M. A.

1997-02-01

The electronic structure of Tl 2Mn 2O 7 was examined by performing tight binding band calculations. The overlap between the Mn t 2g- and Tl 6 s-block bands results in a partial filling of the Tl 6 s-block bands. The associated Fermi surface consists of 12 cigar-shape electron pockets with each electron pocket about {1}/{1000} of the first Brillouin zone in size. The Tl 6 s-block bands have orbital contributions from the Mn atoms, and the carrier density is very low. These are important for the occurrence of a colossal magnetoresistance in Tl 2Mn 2O 7.

Phononic band gaps and vibrations in one- and two-dimensional mass-spring structures

DEFF Research Database (Denmark)

Jensen, Jakob Søndergaard

2003-01-01

The vibrational response of finite periodic lattice structures subjected to periodic loading is investigated. Special attention is devoted to the response in frequency ranges with gaps in the band structure for the corresponding infinite periodic lattice. The effects of boundaries, viscous dampin...

Multiple band structure in 156Er

International Nuclear Information System (INIS)

Sunyar, A.W.; Der Mateosian, E.; Kistner, O.C.; Johnson, A.; Lumpkin, A.H.; Thieberger, P.

1976-01-01

The 142 Nd( 18 O,4n) 156 Er reaction at 90-95 MeV was used to study 156 Er high-spin states to spin 24. In addition to the background ground-state band, two well developed off-spin side bands, one of each parity, were observed. (Auth.)

Inverse problem for particle size distributions of atmospheric aerosols using stochastic particle swarm optimization

International Nuclear Information System (INIS)

Yuan Yuan; Yi Hongliang; Shuai Yong; Wang Fuqiang; Tan Heping

2010-01-01

As a part of resolving optical properties in atmosphere radiative transfer calculations, this paper focuses on obtaining aerosol optical thicknesses (AOTs) in the visible and near infrared wave band through indirect method by gleaning the values of aerosol particle size distribution parameters. Although various inverse techniques have been applied to obtain values for these parameters, we choose a stochastic particle swarm optimization (SPSO) algorithm to perform an inverse calculation. Computational performances of different inverse methods are investigated and the influence of swarm size on the inverse problem of computation particles is examined. Next, computational efficiencies of various particle size distributions and the influences of the measured errors on computational accuracy are compared. Finally, we recover particle size distributions for atmospheric aerosols over Beijing using the measured AOT data (at wavelengths λ=0.400, 0.690, 0.870, and 1.020 μm) obtained from AERONET at different times and then calculate other AOT values for this band based on the inverse results. With calculations agreeing with measured data, the SPSO algorithm shows good practicability.

Study on the high-spin states and signature inversion of odd-odd nucleus 170Ta

International Nuclear Information System (INIS)

Deng Fuguo; Zhou Hongyu; Sun Huibin; Lu Jingbin; Zhao Guangyi; Yin Lichang; Liu Yunzuo

2002-01-01

The high-spin states of odd-odd nucleus 170 Ta were populated via the 155 Gd( 19 F, 4n) 170 Ta reaction with beam energy of 97 MeV provided by the HI-13 tandem accelerator of China Institute of Atomic Energy. Three rotational bands have been pushed to higher spin states and the signature inversion point of the semidecoupled band based on the πh 9/2 1/2 - [541] direct x νi 13/2 configuration has been observed to be 19.5 ℎ. The systematic features of the signature inversion in semidecoupled bands in odd-odd rare earth nuclei were summarized. The systematic differences of signature inversion, especially the difference in the energy splitting between the yrast hands and the semidecoupled hands in odd-odd rare earth nuclei are pointed out and discussed for the first time. It seems that p-n interaction between the odd proton and odd neutron in the odd-odd nuclei plays an important role

Lithospheric Structure of the Yamato Basin Inferred from Trans-dimensional Inversion of Receiver Functions

Science.gov (United States)

Akuhara, T.; Nakahigashi, K.; Shinohara, M.; Yamada, T.; Yamashita, Y.; Shiobara, H.; Mochizuki, K.

2017-12-01

The Yamato Basin, located at the southeast of the Japan Sea, has been formed by the back-arc opening of the Japan Sea. Wide-angle reflection surveys have revealed that the basin has anomalously thickened crust compared with a normal oceanic crust [e.g., Nakahigashi et al., 2013] while deeper lithospheric structure has not known so far. Revealing the lithospheric structure of the Yamato Basin will lead to better understanding of the formation process of the Japan Sea and thus the Japanese island. In this study, as a first step toward understanding the lithospheric structure, we aim to detect the lithosphere-asthenosphere boundary (LAB) using receiver functions (RFs). We use teleseismic P waveforms recorded by broad-band ocean-bottom seismometers (BBOBS) deployed at the Yamato Basin. We calculated radial-component RFs using the data with the removal of water reverberations from the vertical-component records [Akuhara et al., 2016]. The resultant RFs are more complicated than those calculated at an on-land station, most likely due to sediment-related reverberations. This complexity does not allow either direct detection of a Ps conversion from the LAB or forward modeling by a simple structure composed of a handful number of layers. To overcome this difficulty, we conducted trans-dimensional Markov Chain Monte Carlo inversion of RFs, where we do not need to assume the number of layers in advance [e.g., Bodin et al., 2012; Sambridge et al., 2014]. Our preliminary results show abrupt velocity reduction at 70 km depth, far greater depth than the expected LAB depth from the age of the lithosphere ( 20 Ma, although still debated). If this low-velocity jump truly reflects the LAB, the anomalously thickened lithosphere will provide a new constraint on the complex formation history of the Japan Sea. Further study, however, is required to deny the possibility that the obtained velocity jump is an artificial brought by the overfitting of noisy data.

Pressure-Induced Structural Evolution and Band Gap Shifts of Organometal Halide Perovskite-Based Methylammonium Lead Chloride.

Science.gov (United States)

Wang, Lingrui; Wang, Kai; Xiao, Guanjun; Zeng, Qiaoshi; Zou, Bo

2016-12-15

Organometal halide perovskites are promising materials for optoelectronic devices. Further development of these devices requires a deep understanding of their fundamental structure-property relationships. The effect of pressure on the structural evolution and band gap shifts of methylammonium lead chloride (MAPbCl 3 ) was investigated systematically. Synchrotron X-ray diffraction and Raman experiments provided structural information on the shrinkage, tilting distortion, and amorphization of the primitive cubic unit cell. In situ high pressure optical absorption and photoluminescence spectra manifested that the band gap of MAPbCl 3 could be fine-tuned to the ultraviolet region by pressure. The optical changes are correlated with pressure-induced structural evolution of MAPbCl 3 , as evidenced by band gap shifts. Comparisons between Pb-hybrid perovskites and inorganic octahedra provided insights on the effects of halogens on pressure-induced transition sequences of these compounds. Our results improve the understanding of the structural and optical properties of organometal halide perovskites.

Effects of weak nonlinearity on dispersion relations and frequency band-gaps of periodic structures

DEFF Research Database (Denmark)

Sorokin, Vladislav; Thomsen, Jon Juel

2015-01-01

of these for nonlinear problems is impossible or cumbersome, since Floquet theory is applicable for linear systems only. Thus the nonlinear effects for periodic structures are not yet fully uncovered, while at the same time applica-tions may demand effects of nonlinearity on structural response to be accounted for....... The present work deals with analytically predicting dynamic responses for nonlinear continuous elastic periodic structures. Specifically, the effects of weak nonlinearity on the dispersion re-lation and frequency band-gaps of a periodic Bernoulli-Euler beam performing bending os-cillations are analyzed......The analysis of the behaviour of linear periodic structures can be traced back over 300 years, to Sir Isaac Newton, and still attracts much attention. An essential feature of periodic struc-tures is the presence of frequency band-gaps, i.e. frequency ranges in which waves cannot propagate...

Low band gap frequencies and multiplexing properties in 1D and 2D mass spring structures

International Nuclear Information System (INIS)

Aly, Arafa H; Mehaney, Ahmed

2016-01-01

This study reports on the propagation of elastic waves in 1D and 2D mass spring structures. An analytical and computation model is presented for the 1D and 2D mass spring systems with different examples. An enhancement in the band gap values was obtained by modeling the structures to obtain low frequency band gaps at small dimensions. Additionally, the evolution of the band gap as a function of mass value is discussed. Special attention is devoted to the local resonance property in frequency ranges within the gaps in the band structure for the corresponding infinite periodic lattice in the 1D and 2D mass spring system. A linear defect formed of a row of specific masses produces an elastic waveguide that transmits at the narrow pass band frequency. The frequency of the waveguides can be selected by adjusting the mass and stiffness coefficients of the materials constituting the waveguide. Moreover, we pay more attention to analyze the wave multiplexer and DE-multiplexer in the 2D mass spring system. We show that two of these tunable waveguides with alternating materials can be employed to filter and separate specific frequencies from a broad band input signal. The presented simulation data is validated through comparison with the published research, and can be extended in the development of resonators and MEMS verification. (paper)

The Electronic Band Structure of Platinum Oxide (PtO) | Omehe ...

African Journals Online (AJOL)

We have performed the electronic band structure of the bulk and monolayer of PtO using the full potential linear muffin-tin orbital and the projector augmented wave method with the density functional theory. We applied the LDA and LDA+U scheme to both methods. It was found out that the LDA calculation of bulk PtO ...

Band structure properties of (BGa)P semiconductors for lattice matched integration on (001) silicon

Energy Technology Data Exchange (ETDEWEB)

Hossain, Nadir; Sweeney, Stephen [Advanced Technology Institute and Department of Physics, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Hosea, Jeff [Advanced Technology Institute and Department of Physics, University of Surrey, Guildford, Surrey GU2 7XH, UK and Ibnu Sina Institute for Fundamental Science Studies, Universiti Teknologi Malaysia, Johor Bahru 81310 (Malaysia); Liebich, Sven; Zimprich, Martin; Volz, Kerstin; Stolz, Wolfgang [Material Sciences Center and Faculty of Physics, Philipps-University, 35032 Marburg (Germany); Kunert, Bernerdette [NAsP III/V GmbH, Am Knechtacker 19, 35041 Marburg (Germany)

2013-12-04

We report the band structure properties of (BGa)P layers grown on silicon substrate using metal-organic vapour-phase epitaxy. Using surface photo-voltage spectroscopy we find that both the direct and indirect band gaps of (BGa)P alloys (strained and unstrained) decrease with Boron content. Our experimental results suggest that the band gap of (BGa)P layers up to 6% Boron is large and suitable to be used as cladding and contact layers in GaP-based quantum well heterostructures on silicon substrates.

Limits to Nonlinear Inversion

DEFF Research Database (Denmark)

Mosegaard, Klaus

2012-01-01

For non-linear inverse problems, the mathematical structure of the mapping from model parameters to data is usually unknown or partly unknown. Absence of information about the mathematical structure of this function prevents us from presenting an analytical solution, so our solution depends on our......-heuristics are inefficient for large-scale, non-linear inverse problems, and that the 'no-free-lunch' theorem holds. We discuss typical objections to the relevance of this theorem. A consequence of the no-free-lunch theorem is that algorithms adapted to the mathematical structure of the problem perform more efficiently than...... pure meta-heuristics. We study problem-adapted inversion algorithms that exploit the knowledge of the smoothness of the misfit function of the problem. Optimal sampling strategies exist for such problems, but many of these problems remain hard. © 2012 Springer-Verlag....

Low frequency phononic band structures in two-dimensional arc-shaped phononic crystals

International Nuclear Information System (INIS)

Xu, Zhenlong; Wu, Fugen; Guo, Zhongning

2012-01-01

The low frequency phononic band structures of two-dimensional arc-shaped phononic crystals (APCs) were studied by the transfer matrix method in cylindrical coordinates. The results showed the first phononic band gaps (PBGs) of APCs from zero Hz with low modes. Locally resonant (LR) gaps were obtained with higher-order rotation symmetry, due to LR frequencies corresponding to the speeds of acoustic waves in the materials. These properties can be efficiently used in a structure for low frequencies that are forbidden, or in a device that permits a narrow window of frequencies. -- Highlights: ► We report a new class of quasi-periodic hetero-structures, arc-shaped phononic crystals (APCs). ► The results show the first PBGs start with zero Hz with low modes. ► Locally resonant (LR) gaps were obtained with higher-order rotation symmetry, due to LR frequencies corresponding to the speeds of acoustic waves in the materials.

Are Pericentric Inversions Reorganizing Wedge Shell Genomes?

Directory of Open Access Journals (Sweden)

Daniel García-Souto

2017-12-01

Full Text Available Wedge shells belonging to the Donacidae family are the dominant bivalves in exposed beaches in almost all areas of the world. Typically, two or more sympatric species of wedge shells differentially occupy intertidal, sublittoral, and offshore coastal waters in any given locality. A molecular cytogenetic analysis of two sympatric and closely related wedge shell species, Donax trunculus and Donax vittatus, was performed. Results showed that the karyotypes of these two species were both strikingly different and closely alike; whilst metacentric and submetacentric chromosome pairs were the main components of the karyotype of D. trunculus, 10–11 of the 19 chromosome pairs were telocentric in D. vittatus, most likely as a result of different pericentric inversions. GC-rich heterochromatic bands were present in both species. Furthermore, they showed coincidental 45S ribosomal RNA (rRNA, 5S rRNA and H3 histone gene clusters at conserved chromosomal locations, although D. trunculus had an additional 45S rDNA cluster. Intraspecific pericentric inversions were also detected in both D. trunculus and D. vittatus. The close genetic similarity of these two species together with the high degree of conservation of the 45S rRNA, 5S rRNA and H3 histone gene clusters, and GC-rich heterochromatic bands indicate that pericentric inversions contribute to the karyotype divergence in wedge shells.

Two-band tariff for domestic use: Italian Electricity Board rate structure

International Nuclear Information System (INIS)

Barteselli, R.

1992-01-01

ENEL (the Italian National Electricity Board) has begun to introduce a new rate structure for households: the 'two-band tariff'. This article is an effort to examine in principle how the new tariff could optimize load management when applied to the whole household sector

Observations of Multi-band Structures in Double Star TC-1 PEACE Electron and HIA Ion Data

Science.gov (United States)

Mohan Narasimhan, K.; Fazakerley, A. N.; Grimald, S.; Dandouras, I. S.; Mihaljcic, B.; Kistler, L. M.; Owen, C. J.

2015-12-01

Several authors have reported inner magnetosphere observations of proton distributions confined to narrow energy bands in the range 1 - 25 keV (Smith and Hoffman (1974), etc). These structures have been described as "nose structures", with reference to their appearance in energy-time spectrograms and are also known as "bands" if they occur for extended periods of time. Multi-nose structures have been observed if 2 or more noses appear at the same time (Vallat et al., 2007). Gaps between "noses" (or "bands") have been explained in terms of the competing corotation, convection and magnetic gradient drifts. Charge exchange losses in slow drift paths for steady state scenarios and the role of substorm injections have also been considered (Li et al., 2000; Ebihara et al., 2004). We analyse observations of electron and ion multi-band structures frequently seen in Double-Star TC1 PEACE and HIA data. We present results from statistical surveys conducted using data from the duration of the mission. Furthermore, using a combination of both statistics and simulations, we test previous theories as to possible formation mechanisms and explore other possible explanations.

Electronic band structure and optical properties of the cubic, Sc, Y and La hydride systems

International Nuclear Information System (INIS)

Peterman, D.J.

1980-01-01

Electronic band structure calculations are used to interpret the optical spectra of the cubic Sc, Y and La hydride systems. Self-consistent band calculations of ScH 2 and YH 2 were carried out. The respective joint densities of states are computed and compared to the dielectric functions determined from the optical measurements. Additional calculations were performed in which the Fermi level or band gap energies are rigidly shifted by a small energy increment. These calculations are then used to simulate the derivative structure in thermomodulation spectra and relate the origin of experimental interband features to the calculated energy bands. While good systematic agreement is obtained for several spectral features, the origin of low-energy interband transitions in YH 2 cannot be explained by these calculated bands. A lattice-size-dependent premature occupation of octahedral sites by hydrogen atoms in the fcc metal lattice is suggested to account for this discrepancy. Various non-self-consistent calculations are used to examine the effect of such a premature occupation. Measurements of the optical absorptivity of LaH/sub x/ with 1.6 2 lattice. These experimental results also suggest that, in contrast to recent calculations, LaH 3 is a small-band-gap semiconductor

Correlation of Photocatalytic Activity with Band Structure of Low-dimensional Semiconductor Nanostructures

Science.gov (United States)

Meng, Fanke

Photocatalytic hydrogen generation by water splitting is a promising technique to produce clean and renewable solar fuel. The development of effective semiconductor photocatalysts to obtain efficient photocatalytic activity is the key objective. However, two critical reasons prevent wide applications of semiconductor photocatalysts: low light usage efficiency and high rates of charge recombination. In this dissertation, several low-dimensional semiconductors were synthesized with hydrothermal, hydrolysis, and chemical impregnation methods. The band structures of the low-dimensional semiconductor materials were engineered to overcome the above mentioned two shortcomings. In addition, the correlation between the photocatalytic activity of the low-dimensional semiconductor materials and their band structures were studied. First, we studied the effect of oxygen vacancies on the photocatalytic activity of one-dimensional anatase TiO2 nanobelts. Given that the oxygen vacancy plays a significant role in band structure and photocatalytic performance of semiconductors, oxygen vacancies were introduced into the anatase TiO2 nanobelts during reduction in H2 at high temperature. The oxygen vacancies of the TiO2 nanobelts boosted visible-light-responsive photocatalytic activity but weakened ultraviolet-light-responsive photocatalytic activity. As oxygen vacancies are commonly introduced by dopants, these results give insight into why doping is not always beneficial to the overall photocatalytic performance despite increases in absorption. Second, we improved the photocatalytic performance of two-dimensional lanthanum titanate (La2Ti2 O7) nanosheets, which are widely studied as an efficient photocatalyst due to the unique layered crystal structure. Nitrogen was doped into the La2Ti2O7 nanosheets and then Pt nanoparticles were loaded onto the La2Ti2O7 nanosheets. Doping nitrogen narrowed the band gap of the La2Ti 2O7 nanosheets by introducing a continuum of states by the valence

An Optimized, Grid Independent, Narrow Band Data Structure for High Resolution Level Sets

DEFF Research Database (Denmark)

Nielsen, Michael Bang; Museth, Ken

2004-01-01

enforced by the convex boundaries of an underlying cartesian computational grid. Here we present a novel very memory efficient narrow band data structure, dubbed the Sparse Grid, that enables the representation of grid independent high resolution level sets. The key features our new data structure are...

Band structure and orbital character of monolayer MoS2 with eleven-band tight-binding model

Science.gov (United States)

Shahriari, Majid; Ghalambor Dezfuli, Abdolmohammad; Sabaeian, Mohammad

2018-02-01

In this paper, based on a tight-binding (TB) model, first we present the calculations of eigenvalues as band structure and then present the eigenvectors as probability amplitude for finding electron in atomic orbitals for monolayer MoS2 in the first Brillouin zone. In these calculations we are considering hopping processes between the nearest-neighbor Mo-S, the next nearest-neighbor in-plan Mo-Mo, and the next nearest-neighbor in-plan and out-of-plan S-S atoms in a three-atom based unit cell of two-dimensional rhombic MoS2. The hopping integrals have been solved in terms of Slater-Koster and crystal field parameters. These parameters are calculated by comparing TB model with the density function theory (DFT) in the high-symmetry k-points (i.e. the K- and Γ-points). In our TB model all the 4d Mo orbitals and the 3p S orbitals are considered and detailed analysis of the orbital character of each energy level at the main high-symmetry points of the Brillouin zone is described. In comparison with DFT calculations, our results of TB model show a very good agreement for bands near the Fermi level. However for other bands which are far from the Fermi level, some discrepancies between our TB model and DFT calculations are observed. Upon the accuracy of Slater-Koster and crystal field parameters, on the contrary of DFT, our model provide enough accuracy to calculate all allowed transitions between energy bands that are very crucial for investigating the linear and nonlinear optical properties of monolayer MoS2.

Metal-induced gap states in ferroelectric capacitors and its relationship with complex band structures

Science.gov (United States)

Junquera, Javier; Aguado-Puente, Pablo

2013-03-01

At metal-isulator interfaces, the metallic wave functions with an energy eigenvalue within the band gap decay exponentially inside the dielectric (metal-induced gap states, MIGS). These MIGS can be actually regarded as Bloch functions with an associated complex wave vector. Usually only real values of the wave vectors are discussed in text books, since infinite periodicity is assumed and, in that situation, wave functions growing exponentially in any direction would not be physically valid. However, localized wave functions with an exponential decay are indeed perfectly valid solution of the Schrodinger equation in the presence of defects, surfaces or interfaces. For this reason, properties of MIGS have been typically discussed in terms of the complex band structure of bulk materials. The probable dependence on the interface particulars has been rarely taken into account explicitly due to the difficulties to include them into the model or simulations. We aim to characterize from first-principles simulations the MIGS in realistic ferroelectric capacitors and their connection with the complex band structure of the ferroelectric material. We emphasize the influence of the real interface beyond the complex band structure of bulk materials. Financial support provided by MICINN Grant FIS2009-12721-C04-02, and by the European Union Grant No. CP-FP 228989-2 ``OxIDes''. Computer resources provided by the RES.

High power experimental studies of hybrid photonic band gap accelerator structures

Directory of Open Access Journals (Sweden)

JieXi Zhang

2016-08-01

Full Text Available This paper reports the first high power tests of hybrid photonic band gap (PBG accelerator structures. Three hybrid PBG (HPBG structures were designed, built and tested at 17.14 GHz. Each structure had a triangular lattice array with 60 inner sapphire rods and 24 outer copper rods sandwiched between copper disks. The dielectric PBG band gap map allows the unique feature of overmoded operation in a TM_{02} mode, with suppression of both lower order modes, such as the TM_{11} mode, as well as higher order modes. The use of sapphire rods, which have negligible dielectric loss, required inclusion of the dielectric birefringence in the design. The three structures were designed to sequentially reduce the peak surface electric field. Simulations showed relatively high surface fields at the triple point as well as in any gaps between components in the clamped assembly. The third structure used sapphire rods with small pin extensions at each end and obtained the highest gradient of 19  MV/m, corresponding to a surface electric field of 78  MV/m, with a breakdown probability of 5×10^{-1} per pulse per meter for a 100-ns input power pulse. Operation at a gradient above 20  MV/m led to runaway breakdowns with extensive light emission and eventual damage. For all three structures, multipactor light emission was observed at gradients well below the breakdown threshold. This research indicated that multipactor triggered at the triple point limited the operational gradient of the hybrid structure.

Investigation of the Band Structure of Graphene-Based Plasmonic Photonic Crystals.

Science.gov (United States)

Qiu, Pingping; Qiu, Weibin; Lin, Zhili; Chen, Houbo; Tang, Yixin; Wang, Jia-Xian; Kan, Qiang; Pan, Jiao-Qing

2016-09-09

In this paper, one-dimensional (1D) and two-dimensional (2D) graphene-based plasmonic photonic crystals (PhCs) are proposed. The band structures and density of states (DOS) have been numerically investigated. Photonic band gaps (PBGs) are found in both 1D and 2D PhCs. Meanwhile, graphene-based plasmonic PhC nanocavity with resonant frequency around 175 THz, is realized by introducing point defect, where the chemical potential is from 0.085 to 0.25 eV, in a 2D PhC. Also, the bending wvaguide and the beam splitter are realized by introducing the line defect into the 2D PhC.

Optical properties of Nb and Mo calculated from augmented-plane-wave band structures

International Nuclear Information System (INIS)

Pickett, W.E.; Allen, P.B.

1975-01-01

Nonrelativistic band calculations of Mattheiss for Nb and Petroff and Viswanathan for Mo are used to calculate the imaginary part epsilon 2 of the dielectric function for these metals. The structure resulting from interband transitions in the frequency range 0.1--0.5 Ry is found to give fairly good agreement with experiment. The calculation indicates that structure in epsilon 2 can arise from transitions away from symmetry points and lines in the Brillouin zone. The difficulty in distinguishing between the direct and indirect transition models for epsilon 2 is shown to arise from a lack of strong optical critical points. Predictions of the rigid-band model for the optical properties of Nb-Mo alloys are presented

Harnessing the bistable composite shells to design a tunable phononic band gap structure

Science.gov (United States)

Li, Yi; Xu, Yanlong

2018-02-01

By proposing a system composed of an array of bistable composite shells immersed in air, we develop a new class of periodic structure to control the propagation of sound. Through numerical investigation, we find that the acoustic band gap of this system can be switched on and off by triggering the snap through deformation of the bistable composite shells. The shape of cross section and filling fraction of unit cell can be altered by different number of bistable composite shells, and they have strong impact on the position and width of the band gap. The proposed concept paves the way of using the bistable structures to design a new class of metamaterials that can be enable to manipulate sound.

Tight binding electronic band structure calculation of achiral boron nitride single wall nanotubes

International Nuclear Information System (INIS)

Saxena, Prapti; Sanyal, Sankar P

2006-01-01

In this paper we report the Tight-Binding method, for the electronic structure calculations of achiral single wall Boron Nitride nanotubes. We have used the contribution of π electron only to define the electronic band structure for the solid. The Zone-folding method is used for the Brillouin Zone definition. Calculation of tight binding model parameters is done by fitting them to available experimental results of two-dimensional hexagonal monolayers of Boron Nitride. It has been found that all the boron nitride nanotubes (both zigzag and armchair) are constant gap semiconductors with a band gap of 5.27eV. All zigzag BNNTs are found to be direct gap semiconductors while all armchair nanotubes are indirect gap semiconductors. (author)

Infrared to visible upconversion luminescence in Er3+/Yb3+ co-doped CeO2 inverse opal

International Nuclear Information System (INIS)

Yang, Zhengwen; Wu, Hangjun; Liao, Jiayan; Li, Wucai; Song, Zhiguo; Yang, Yong; Zhou, Dacheng; Wang, Rongfei; Qiu, Jianbei

2013-01-01

Highlights: • UC emission of Er 3+ was modified by introducing the structure of inverse opal. • Color tuning of CeO 2 :Yb, Er inverse opal was realized by inhibition of UC emission. • Two-photon excitation processes were observed in CeO 2 :Yb, Er inverse opal. -- Abstract: Infrared to visible upconversion luminescence has been investigated in Er 3+ /Yb 3+ co-doped CeO 2 inverse opal. Under the excitation of 980 nm diode lasers, visible emissions centered at 525, 547, 561, 660 and 680 nm are observed, which are assigned to the Er 3+ transitions of 2 H 11/2 → 4 I 15/2 (525 nm), 4 S 3/2 → 4 I 15/2 (547, 561 nm), 4 F 9/2 → 4 I 15/2 (660 and 680 nm), respectively. The effect of photonic band gap on the upconversion luminescence intensity was also obtained. Additionally, the upconversion luminescence mechanism was studied. The dependence of Er 3+ upconversion emission intensity on pump power reveals that it is a two-photon excitation process

An attempt to estimate isotropic and anisotropic lateral structure of the Earth by spectral inversion incorporating mixed coupling

Science.gov (United States)

Oda, Hitoshi

2005-02-01

We present a way to calculate free oscillation spectra for an aspherical earth model, which is constructed by adding isotropic and anisotropic velocity perturbations to the seismic velocity parameters of a reference earth model, and examine the effect of the velocity perturbations on the free oscillation spectrum. Lateral variations of the velocity perturbations are parametrized as an expansion in generalized spherical harmonics. We assume weak hexagonal anisotropy for the seismic wave anisotropy in the upper mantle, where the hexagonal symmetry axes are horizontally distributed. The synthetic spectra show that the velocity perturbations cause not only strong self-coupling among singlets of a multiplet but also mixed coupling between toroidal and spheroidal multiplets. Both the couplings give rise to an amplitude anomaly on the vertical component spectrum. In this study, we identify the amplitude anomaly resulting from the mixed coupling as quasi-toroidal mode. Excitation of the quasi-toroidal mode by a vertical strike-slip fault is largest on nodal lines of the Rayleigh wave, decreases with increasing azimuth angle and becomes smallest on loop lines. This azimuthal dependence of the spectral amplitude is quite similar to the Love wave radiation pattern. In addition, the amplitude spectrum of the quasi-toroidal mode is more sensitive to the anisotropic velocity perturbation than to the isotropic velocity perturbation. This means that the mode spectrum allowing for the mixed-coupling effect may provide constraints on the anisotropic lateral structure as well as the isotropic lateral structure. An inversion method, called mixed-coupling spectral inversion, is devised to retrieve the isotropic and anisotropic velocity perturbations from the free oscillation spectra incorporating the quasi-toroidal mode. We confirm that the spectral inversion method correctly recovers the isotropic and anisotropic lateral structure. Moreover introducing the mixed-coupling effect in the

Making Sense of Abstract Algebra: Exploring Secondary Teachers' Understandings of Inverse Functions in Relation to Its Group Structure

Science.gov (United States)

Wasserman, Nicholas H.

2017-01-01

This article draws on semi-structured, task-based interviews to explore secondary teachers' (N = 7) understandings of inverse functions in relation to abstract algebra. In particular, a concept map task is used to understand the degree to which participants, having recently taken an abstract algebra course, situated inverse functions within its…

Importance of doping, dopant distribution, and defects on electronic band structure alteration of metal oxide nanoparticles: Implications for reactive oxygen species

International Nuclear Information System (INIS)

Saleh, Navid B.; Milliron, Delia J.; Aich, Nirupam; Katz, Lynn E.; Liljestrand, Howard M.; Kirisits, Mary Jo

2016-01-01

Metal oxide nanoparticles (MONPs) are considered to have the potency to generate reactive oxygen species (ROS), one of the key mechanisms underlying nanotoxicity. However, the nanotoxicology literature demonstrates a lack of consensus on the dominant toxicity mechanism(s) for a particular MONP. Moreover, recent literature has studied the correlation between band structure of pristine MONPs to their ability to introduce ROS and thus has downplayed the ROS-mediated toxicological relevance of a number of such materials. On the other hand, material science can control the band structure of these materials to engineer their electronic and optical properties and thereby is constantly modulating the pristine electronic structure. Since band structure is the fundamental material property that controls ROS-producing ability, band tuning via introduction of dopants and defects needs careful consideration in toxicity assessments. This commentary critically evaluates the existing material science and nanotoxicity literature and identifies the gap in our understanding of the role of important crystal structure features (i.e., dopants and defects) on MONPs' electronic structure alteration as well as their ROS-generation capability. Furthermore, this commentary provides suggestions on characterization techniques to evaluate dopants and defects on the crystal structure and identifies research needs for advanced theoretical predictions of their electronic band structures and ROS-generation abilities. Correlation of electronic band structure and ROS will not only aid in better mechanistic assessment of nanotoxicity but will be impactful in designing and developing ROS-based applications ranging from water disinfection to next-generation antibiotics and even cancer therapeutics. - Highlights: • Metal oxide nanoparticles (MONPs) produce reactive oxygen species (ROS) • Band structure of pristine MONPs is different than those with dopants/defects • Dopants/defects modulate

Importance of doping, dopant distribution, and defects on electronic band structure alteration of metal oxide nanoparticles: Implications for reactive oxygen species

Energy Technology Data Exchange (ETDEWEB)

Saleh, Navid B., E-mail: navid.saleh@utexas.edu [Department of Civil, Architectural, and Environmental Engineering, University of Texas, Austin, TX 78712 (United States); Milliron, Delia J. [McKetta Department of Chemical Engineering, University of Texas, Austin, TX 78712 (United States); Aich, Nirupam [Department of Civil, Structural and Environmental Engineering, University at Buffalo, The State University of New York, Buffalo, NY, 14260 (United States); Katz, Lynn E.; Liljestrand, Howard M.; Kirisits, Mary Jo [Department of Civil, Architectural, and Environmental Engineering, University of Texas, Austin, TX 78712 (United States)

2016-10-15

Metal oxide nanoparticles (MONPs) are considered to have the potency to generate reactive oxygen species (ROS), one of the key mechanisms underlying nanotoxicity. However, the nanotoxicology literature demonstrates a lack of consensus on the dominant toxicity mechanism(s) for a particular MONP. Moreover, recent literature has studied the correlation between band structure of pristine MONPs to their ability to introduce ROS and thus has downplayed the ROS-mediated toxicological relevance of a number of such materials. On the other hand, material science can control the band structure of these materials to engineer their electronic and optical properties and thereby is constantly modulating the pristine electronic structure. Since band structure is the fundamental material property that controls ROS-producing ability, band tuning via introduction of dopants and defects needs careful consideration in toxicity assessments. This commentary critically evaluates the existing material science and nanotoxicity literature and identifies the gap in our understanding of the role of important crystal structure features (i.e., dopants and defects) on MONPs' electronic structure alteration as well as their ROS-generation capability. Furthermore, this commentary provides suggestions on characterization techniques to evaluate dopants and defects on the crystal structure and identifies research needs for advanced theoretical predictions of their electronic band structures and ROS-generation abilities. Correlation of electronic band structure and ROS will not only aid in better mechanistic assessment of nanotoxicity but will be impactful in designing and developing ROS-based applications ranging from water disinfection to next-generation antibiotics and even cancer therapeutics. - Highlights: • Metal oxide nanoparticles (MONPs) produce reactive oxygen species (ROS) • Band structure of pristine MONPs is different than those with dopants/defects • Dopants/defects modulate

Lateral energy band profile modulation in tunnel field effect transistors based on gate structure engineering

Directory of Open Access Journals (Sweden)

Ning Cui

2012-06-01

Full Text Available Choosing novel materials and structures is important for enhancing the on-state current in tunnel field-effect transistors (TFETs. In this paper, we reveal that the on-state performance of TFETs is mainly determined by the energy band profile of the channel. According to this interpretation, we present a new concept of energy band profile modulation (BPM achieved with gate structure engineering. It is believed that this approach can be used to suppress the ambipolar effect. Based on this method, a Si TFET device with a symmetrical tri-material-gate (TMG structure is proposed. Two-dimensional numerical simulations demonstrated that the special band profile in this device can boost on-state performance, and it also suppresses the off-state current induced by the ambipolar effect. These unique advantages are maintained over a wide range of gate lengths and supply voltages. The BPM concept can serve as a guideline for improving the performance of nanoscale TFET devices.

Modelling the metal–semiconductor band structure in implanted ohmic contacts to GaN and SiC

International Nuclear Information System (INIS)

Pérez-Tomás, A; Fontserè, A; Placidi, M; Jennings, M R; Gammon, P M

2013-01-01

Here we present a method to model the metal–semiconductor (M–S) band structure to an implanted ohmic contact to a wide band gap semiconductor (WBG) such as GaN and SiC. The performance and understanding of the M–S contact to a WBG semiconductor is of great importance as it influences the overall performance of a semiconductor device. In this work we explore in a numerical fashion the ohmic contact properties to a WBG semiconductor taking into account the partial ionization of impurities and analysing its dependence on the temperature, the barrier height, the impurity level band energy and carrier concentration. The effect of the M–S Schottky barrier lowering and the Schottky barrier inhomogeneities are discussed. The model is applied to a fabricated ohmic contact to GaN where the M–S band structure can be completely determined. (paper)

A class of non-symmetric band determinants with the Gaussian q ...

African Journals Online (AJOL)

A class of symmetric band matrices of bandwidth 2r+1 with the binomial coefficients entries was studied earlier. We consider a class of non-symmetric band matrices with the Gaussian q-binomial coefficients whose upper bandwith is s and lower bandwith is r. We give explicit formulæ for the determinant, the inverse (along ...

Observation of dark-current signals from the S-band structures of the SLAC linac

International Nuclear Information System (INIS)

Assmann, R.; Decker, F.J.; Seidel, M.; Siemann, R.H.; Whittum, D.

1997-07-01

It is well known that the electro-magnetic fields in high-gradient RF structures can cause electron emission from the metallic structure walls. If the emitted electrons are captured and accelerated by the accelerating fields so-called dark-current is induced. Dark-currents have been measured and studied for various RF-structures. In this paper the authors present measurements of RF induced signals for the SLC S-band structures. For nominal gradients of 17 MV/m it is shown that the dark-current can be strong enough to significantly reduce the signal-to-noise ratio of the SLC beam wire scanners. They also show results from RF measurements in the dipole band. The measurements are compared to more direct observations of dark-current and it is tried to connect the results to possible effects on the accelerated particle beam

Multi-subject hierarchical inverse covariance modelling improves estimation of functional brain networks.

Science.gov (United States)

Colclough, Giles L; Woolrich, Mark W; Harrison, Samuel J; Rojas López, Pedro A; Valdes-Sosa, Pedro A; Smith, Stephen M

2018-05-07

A Bayesian model for sparse, hierarchical inverse covariance estimation is presented, and applied to multi-subject functional connectivity estimation in the human brain. It enables simultaneous inference of the strength of connectivity between brain regions at both subject and population level, and is applicable to fmri, meg and eeg data. Two versions of the model can encourage sparse connectivity, either using continuous priors to suppress irrelevant connections, or using an explicit description of the network structure to estimate the connection probability between each pair of regions. A large evaluation of this model, and thirteen methods that represent the state of the art of inverse covariance modelling, is conducted using both simulated and resting-state functional imaging datasets. Our novel Bayesian approach has similar performance to the best extant alternative, Ng et al.'s Sparse Group Gaussian Graphical Model algorithm, which also is based on a hierarchical structure. Using data from the Human Connectome Project, we show that these hierarchical models are able to reduce the measurement error in meg beta-band functional networks by 10%, producing concomitant increases in estimates of the genetic influence on functional connectivity. Copyright © 2018. Published by Elsevier Inc.

Optical properties and electronic band structure of AgInSe2

International Nuclear Information System (INIS)

Ozaki, Shunji; Adachi, Sadao

2006-01-01

Optical properties of a chalcopyrite semiconductor AgInSe 2 have been studied by optical absorption, spectroscopic ellipsometry (SE), and thermoreflectance (TR) measurements. The measurements reveal distinct structures at energies of the critical points in the Brillouin zone. By performing the band-structure calculation, these critical points have been successfully assigned to specific points in the Brillouin zone. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2006], Wiley Periodicals, Inc.)

Using measurable dosimetric quantities to characterize the inter-structural tradeoff in inverse planning

Science.gov (United States)

Liu, Hongcheng; Dong, Peng; Xing, Lei

2017-08-01

Traditional inverse planning relies on the use of weighting factors to balance the conflicting requirements of different structures. Manual trial-and-error determination of weighting factors has long been recognized as a time-consuming part of treatment planning. The purpose of this work is to develop an inverse planning framework that parameterizes the dosimetric tradeoff among the structures with physically meaningful quantities to simplify the search for clinically sensible plans. In this formalism, instead of using weighting factors, the permissible variation range of the prescription dose or dose volume histogram (DVH) of the involved structures are used to characterize the ‘importance’ of the structures. The inverse planning is then formulated into a convex feasibility problem, called the dosimetric variation-controlled model (DVCM), whose goal is to generate plans with dosimetric or DVH variations of the structures consistent with the pre-specified values. For simplicity, the dosimetric variation range for a structure is extracted from a library of previous cases which possess similar anatomy and prescription. A two-phase procedure (TPP) is designed to solve the model. The first phase identifies a physically feasible plan to satisfy the prescribed dosimetric variation, and the second phase automatically improves the plan in case there is room for further improvement. The proposed technique is applied to plan two prostate cases and two head-and-neck cases and the results are compared with those obtained using a conventional CVaR approach and with a moment-based optimization scheme. Our results show that the strategy is able to generate clinically sensible plans with little trial and error. In all cases, the TPP generates a very competitive plan as compared to those obtained using the alternative approaches. Particularly, in the planning of one of the head-and-neck cases, the TPP leads to a non-trivial improvement in the resultant dose distribution�

Characterization of electronic structure of Cu2ZnSn(SxSe1−x)4 absorber layer and CdS/Cu2ZnSn(SxSe1−x)4 interfaces by in-situ photoemission and inverse photoemission spectroscopies

International Nuclear Information System (INIS)

Terada, Norio; Yoshimoto, Sho; Chochi, Kosuke; Fukuyama, Takayuki; Mitsunaga, Masahiro; Tampo, Hitoshi; Shibata, Hajime; Matsubara, Koji; Niki, Shigeru; Sakai, Noriyuki; Katou, Takuya; Sugimoto, Hiroki

2015-01-01

The dependences of electronic structure of CZTS x Se 1−x (CZTSSe) layers synthesized by sulfurization and/or selenization of the vacuum-deposited metal precursors on the anion mixing ratio x = S/(S + Se) have been studied by in-situ ultraviolet and X-ray photoemission spectroscopies (UPS, XPS) and inverse photoemission spectroscopy (IPES). The band alignment at interfaces between the CdS buffer by the sequential evaporation and the CZTSSe (x = 0.28 and 1.0) has also been investigated by the in-situ measurements of these spectroscopies. The UPS/IPES results of the CZTSSe surfaces have revealed linear expansion of band gap energy E g with an increase of x: E g(CZTSe;x=0) = 0.9-1.0 eV and E g(CZTS;x=1) = 1.5-1.6 eV. This expansion mainly originates in the rise of conduction band minimum CBM: CBM (CZTSe;x=0) = 0.45-0.50 eV and CBM (CZTS;x=1) = 0.95-1.05 eV. The in-situ measurements of the interface electronic structure have revealed that the CdS/CZTSSe (x = 0.28) interface has a so-called “type I” band alignment with a conduction band offset CBO about + 0.2 eV which is favorable to high cell performance. A negative CBO was distinguished for the CdS/CZTS (x = 1.0) interface, and the observed change in the band alignment with the anion mixing ratio was consistent with that of the variation in cell-performances. - Highlights: • The variation of electronic structure of CZTSSe films with S/(S + Se) ratio x is studied. • The monotonous rise of the conduction band minimum with x is clarified. • The band alignment at the CdS/CZTSSe interface is clarified by in-situ PES/IPES. • The change of the conduction band offset from positive to negative as an increase of x is observed. • The consistency between the band alignment and the cell performance is confirmed

Weakly nonlinear dispersion and stop-band effects for periodic structures

DEFF Research Database (Denmark)

Sorokin, Vladislav; Thomsen, Jon Juel

of frequency band-gaps, i.e. frequency ranges in which elastic waves cannot propagate. Most existing analytical methods in the field are based on Floquet theory [1]; e.g. this holds for the classical Hill’s method of infinite determinants [1,2], and themethod of space-harmonics [3]. However, application...... of these methods for studying nonlinear problems isimpossible or cumbersome, since Floquet theory is applicable only for linear systems. Thus the nonlinear effects for periodic structures are not yet fully uncovered, while at the same time applications may demand effects of nonlinearity on structural response...... to be accounted for.The paper deals with analytically predicting dynamic response for nonlinear elastic structures with a continuous periodic variation in structural properties. Specifically, for a Bernoulli-Euler beam with aspatially continuous modulation of structural properties in the axial direction...

Multiscale Phase Inversion of Seismic Data

KAUST Repository

Fu, Lei

2017-12-02

We present a scheme for multiscale phase inversion (MPI) of seismic data that is less sensitive to the unmodeled physics of wave propagation and a poor starting model than standard full waveform inversion (FWI). To avoid cycle-skipping, the multiscale strategy temporally integrates the traces several times, i.e. high-order integration, to produce low-boost seismograms that are used as input data for the initial iterations of MPI. As the iterations proceed, higher frequencies in the data are boosted by using integrated traces of lower order as the input data. The input data are also filtered into different narrow frequency bands for the MPI implementation. At low frequencies, we show that MPI with windowed reflections approximates wave equation inversion of the reflection traveltimes, except no traveltime picking is needed. Numerical results with synthetic acoustic data show that MPI is more robust than conventional multiscale FWI when the initial model is far from the true model. Results from synthetic viscoacoustic and elastic data show that MPI is less sensitive than FWI to some of the unmodeled physics. Inversion of marine data shows that MPI is more robust and produces modestly more accurate results than FWI for this data set.

Band gap structure modification of amorphous anodic Al oxide film by Ti-alloying

DEFF Research Database (Denmark)

Canulescu, Stela; Rechendorff, K.; Borca, C. N.

2014-01-01

The band structure of pure and Ti-alloyed anodic aluminum oxide has been examined as a function of Ti concentration varying from 2 to 20 at. %. The band gap energy of Ti-alloyed anodic Al oxide decreases with increasing Ti concentration. X-ray absorption spectroscopy reveals that Ti atoms...... are not located in a TiO2 unit in the oxide layer, but rather in a mixed Ti-Al oxide layer. The optical band gap energy of the anodic oxide layers was determined by vacuum ultraviolet spectroscopy in the energy range from 4.1 to 9.2 eV (300–135 nm). The results indicate that amorphous anodic Al2O3 has a direct...

Constructing Repairable Meta-Structures of Ultra-Broad-Band Electromagnetic Absorption from Three-Dimensional Printed Patterned Shells.

Science.gov (United States)

Song, Wei-Li; Zhou, Zhili; Wang, Li-Chen; Cheng, Xiao-Dong; Chen, Mingji; He, Rujie; Chen, Haosen; Yang, Yazheng; Fang, Daining

2017-12-13

Ultra-broad-band electromagnetic absorption materials and structures are increasingly attractive for their critical role in competing with the advanced broad-band electromagnetic detection systems. Mechanically soft and weak wax-based materials composites are known to be insufficient to serve in practical electromagnetic absorption applications. To break through such barriers, here we developed an innovative strategy to enable the wax-based composites to be robust and repairable meta-structures by employing a three-dimensional (3D) printed polymeric patterned shell. Because of the integrated merits from both the dielectric loss wax-based composites and mechanically robust 3D printed shells, the as-fabricated meta-structures enable bear mechanical collision and compression, coupled with ultra-broad-band absorption (7-40 and 75-110 GHz, reflection loss  smaller than -10 dB) approaching state-of-the-art electromagnetic absorption materials. With the assistance of experiment and simulation methods, the design advantages and mechanism of employing such 3D printed shells for substantially promoting the electromagnetic absorption performance have been demonstrated. Therefore, such universal strategy that could be widely extended to other categories of wax-based composites highlights a smart stage on which high-performance practical multifunction meta-structures with ultra-broad-band electromagnetic absorption could be envisaged.

Design, realization and test of C-band accelerating structures for the SPARC-LAB linac energy upgrade

International Nuclear Information System (INIS)

Alesini, D.; Bellaveglia, M.; Biagini, M.E.; Boni, R.; Brönnimann, M.; Cardelli, F.; Chimenti, P.; Clementi, R.; Di Pirro, G.; Di Raddo, R.; Ferrario, M.; Ficcadenti, L.; Gallo, A.; Kalt, R.; Lollo, V.; Palumbo, L.; Piersanti, L.; Schilcher, T.

2016-01-01

The energy upgrade of the SPARC-LAB photo-injector at LNF-INFN (Frascati, Italy) has been originally conceived replacing one low gradient (13 MV/m) 3 m long SLAC type S-band traveling wave (TW) section with two 1.4 m long C-band accelerating sections. Due to the higher gradients reached by such structures, a higher energy beam can be obtained within the same accelerator footprint length. The use of C-band structures for electron acceleration has been adopted in a few FEL linacs in the world, among others, the Japanese Free Electron Laser at SPring-8 and the SwissFEL at Paul Scherrer Institute (PSI). The C-band sections are traveling wave, constant impedance structures with symmetric input and output axial couplers. Their design has been optimized for the operation with a SLED RF pulse compressor. In this paper we briefly review their design criteria and we focus on the construction, tuning, low and high-power RF tests. We also illustrate the design and realization of the dedicated low level RF system that has been done in collaboration with PSI in the framework of the EU TIARA project. Preliminary experimental results appear to confirm the operation of such structures with accelerating gradients larger than 35 MV/m.

Design, realization and test of C-band accelerating structures for the SPARC-LAB linac energy upgrade

Energy Technology Data Exchange (ETDEWEB)

Alesini, D.; Bellaveglia, M.; Biagini, M.E.; Boni, R. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Brönnimann, M. [Paul Scherrer Institut, 5232 Villigen (Switzerland); Cardelli, F. [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Chimenti, P.; Clementi, R.; Di Pirro, G.; Di Raddo, R.; Ferrario, M. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Ficcadenti, L. [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Gallo, A. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Kalt, R. [Paul Scherrer Institut, 5232 Villigen (Switzerland); Lollo, V. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Palumbo, L. [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Piersanti, L., E-mail: luca.piersanti@lnf.infn.it [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Schilcher, T. [Paul Scherrer Institut, 5232 Villigen (Switzerland)

2016-11-21

The energy upgrade of the SPARC-LAB photo-injector at LNF-INFN (Frascati, Italy) has been originally conceived replacing one low gradient (13 MV/m) 3 m long SLAC type S-band traveling wave (TW) section with two 1.4 m long C-band accelerating sections. Due to the higher gradients reached by such structures, a higher energy beam can be obtained within the same accelerator footprint length. The use of C-band structures for electron acceleration has been adopted in a few FEL linacs in the world, among others, the Japanese Free Electron Laser at SPring-8 and the SwissFEL at Paul Scherrer Institute (PSI). The C-band sections are traveling wave, constant impedance structures with symmetric input and output axial couplers. Their design has been optimized for the operation with a SLED RF pulse compressor. In this paper we briefly review their design criteria and we focus on the construction, tuning, low and high-power RF tests. We also illustrate the design and realization of the dedicated low level RF system that has been done in collaboration with PSI in the framework of the EU TIARA project. Preliminary experimental results appear to confirm the operation of such structures with accelerating gradients larger than 35 MV/m.

Ballistic-electron-emission spectroscopy of AlxGa1-xAs/GaAs heterostructures: Conduction-band offsets, transport mechanisms, and band-structure effects

International Nuclear Information System (INIS)

OShea, J.J.; Brazel, E.G.; Rubin, M.E.; Bhargava, S.; Chin, M.A.; Narayanamurti, V.

1997-01-01

We report an extensive investigation of semiconductor band-structure effects in single-barrier Al x Ga 1-x As/GaAs heterostructures using ballistic-electron-emission spectroscopy (BEES). The transport mechanisms in these single-barrier structures were studied systematically as a function of temperature and Al composition over the full compositional range (0≤x≤1). The initial (Γ) BEES thresholds for Al x Ga 1-x As single barriers with 0≤x≤0.42 were extracted using a model which includes the complete transmission probability of the metal-semiconductor interface and the semiconductor heterostructure. Band offsets measured by BEES are in good agreement with previous measurements by other techniques which demonstrates the accuracy of this technique. BEES measurements at 77 K give the same band-offset values as at room temperature. When a reverse bias is applied to the heterostructures, the BEES thresholds shift to lower voltages in good agreement with the expected bias-induced band-bending. In the indirect band-gap regime (x>0.45), spectra show a weak ballistic-electron-emission microscopy current contribution due to intervalley scattering through Al x Ga 1-x As X valley states. Low-temperature spectra show a marked reduction in this intervalley current component, indicating that intervalley phonon scattering at the GaAs/Al x Ga 1-x As interface produces a significant fraction of thisX valley current. A comparison of the BEES thresholds with the expected composition dependence of the Al x Ga 1-x As Γ, L, and X points yields good agreement over the entire composition range. copyright 1997 The American Physical Society

Effects of thermo-order-mechanical coupling on band structures in liquid crystal nematic elastomer porous phononic crystals.

Science.gov (United States)

Yang, Shuai; Liu, Ying

2018-08-01

Liquid crystal nematic elastomers are one kind of smart anisotropic and viscoelastic solids simultaneously combing the properties of rubber and liquid crystals, which is thermal sensitivity. In this paper, the wave dispersion in a liquid crystal nematic elastomer porous phononic crystal subjected to an external thermal stimulus is theoretically investigated. Firstly, an energy function is proposed to determine thermo-induced deformation in NE periodic structures. Based on this function, thermo-induced band variation in liquid crystal nematic elastomer porous phononic crystals is investigated in detail. The results show that when liquid crystal elastomer changes from nematic state to isotropic state due to the variation of the temperature, the absolute band gaps at different bands are opened or closed. There exists a threshold temperature above which the absolute band gaps are opened or closed. Larger porosity benefits the opening of the absolute band gaps. The deviation of director from the structural symmetry axis is advantageous for the absolute band gap opening in nematic state whist constrains the absolute band gap opening in isotropic state. The combination effect of temperature and director orientation provides an added degree of freedom in the intelligent tuning of the absolute band gaps in phononic crystals. Copyright © 2018 Elsevier B.V. All rights reserved.

Signature effects in 2qp bands of doubly even rare-earth nuclei

Energy Technology Data Exchange (ETDEWEB)

Kalra, Kawalpreet [Amity University, AUUP, Department of Physics, Amity Institute of Applied Sciences (AIAS), Noida (India); Goel, Alpana [Amity University, AUUP, Amity Institute of Nuclear Science and Technology (AINST), Noida (India); Jain, A.K. [Indian Institute of Technology (IIT), Department of Physics, Roorkee (India)

2016-12-15

The two-quasiparticle rotational bands in deformed doubly even nuclei in the rare-earth region have been studied in detail. A number of interesting features like odd-even staggering and signature inversion have been observed. The phenomenon of signature inversion/reversal is observed experimentally in {sup 162}{sub 66}Dy, {sup 170}{sub 70}Yb and {sup 170}{sub 74}W in even-even nuclei. Two quasiparticle plus rotor model (TQPRM) calculations are carried out to explain the reverse pattern of signature in {sup 170}{sub 74}W for the rotational band having configuration {(h_1_1_/_2)_p x (d_5_/_2)_p}. (orig.)

Terahertz emission from CdHgTe/HgTe quantum wells with an inverted band structure

Energy Technology Data Exchange (ETDEWEB)

Vasilyev, Yu. B., E-mail: Yu.Vasilyev@mail.ioffe.ru [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Mikhailov, N. N. [Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation); Vasilyeva, G. Yu.; Ivánov, Yu. L.; Zakhar’in, A. O.; Andrianov, A. V. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Vorobiev, L. E.; Firsov, D. A. [Peter the Great Saint-Petersburg Polytechnic University (Russian Federation); Grigoriev, M. N. [Ustinov Baltic State Technical University “VOENMEKh” (Russian Federation); Antonov, A. V.; Ikonnikov, A. V.; Gavrilenko, V. I. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation)

2016-07-15

The terahertz electroluminescence from Cd{sub 0.7}Hg{sub 0.3}Te/HgTe quantum wells with an inverted band structure in lateral electric fields is experimentally detected and studied. The emission-spectrum maximum for wells 6.5 and 7 nm wide is near 6 meV which corresponds to interband optical transitions. The emission is explained by state depletion in the valence band and conduction band filling due to Zener tunneling, which is confirmed by power-law current–voltage characteristics.

Electronic band structure of TiFese2 in ferromagnetic phase

International Nuclear Information System (INIS)

Jahangirli, Z.A.; Mimura, K.; Shim, Y.; Mamedov, N.T.; Wakita, K.; Orudzhev, G.S.; Jahangirli, Z.A.

2011-01-01

Electronic band structure of crystalline TiFeSe 2 has been calculated using full-potential method of Linear Augmented Plane Wave (LAPW) in density-functional approach with exchange-correlation potential taken in Generalized Gradient Approximation (GGA). The chemical bond in TiFeSe 2 is shown to be metallic because energies of 3d-electrons localized at iron atoms are close to Fermi energy level

Importance of complex band structure and resonant states for tunneling

Czech Academy of Sciences Publication Activity Database

Dederichs, P. H.; Mavropoulos, Ph.; Wunnicke, O.; Papanikolaou, N.; Bellini, V.; Zeller, R.; Drchal, Václav; Kudrnovský, Josef

2002-01-01

Roč. 240, - (2002), s. 108-113 ISSN 0304-8853 R&D Projects: GA AV ČR IAA1010829; GA ČR GA202/00/0122; GA MŠk OC P5.30 Grant - others:TSR(XX) 01398 Institutional research plan: CEZ:AV0Z1010914 Keywords : magnetoresistance * tunneling * band structure * interface effects Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.046, year: 2002

Band structures in a two-dimensional phononic crystal with rotational multiple scatterers

Science.gov (United States)

Song, Ailing; Wang, Xiaopeng; Chen, Tianning; Wan, Lele

2017-03-01

In this paper, the acoustic wave propagation in a two-dimensional phononic crystal composed of rotational multiple scatterers is investigated. The dispersion relationships, the transmission spectra and the acoustic modes are calculated by using finite element method. In contrast to the system composed of square tubes, there exist a low-frequency resonant bandgap and two wide Bragg bandgaps in the proposed structure, and the transmission spectra coincide with band structures. Specially, the first bandgap is based on locally resonant mechanism, and the simulation results agree well with the results of electrical circuit analogy. Additionally, increasing the rotation angle can remarkably influence the band structures due to the transfer of sound pressure between the internal and external cavities in low-order modes, and the redistribution of sound pressure in high-order modes. Wider bandgaps are obtained in arrays composed of finite unit cells with different rotation angles. The analysis results provide a good reference for tuning and obtaining wide bandgaps, and hence exploring the potential applications of the proposed phononic crystal in low-frequency noise insulation.

Compton profiles and band structure calculations of CdS and CdTe

International Nuclear Information System (INIS)

Heda, N.L.; Mathur, S.; Ahuja, B.L.; Sharma, B.K.

2007-01-01

In this paper we present the isotropic Compton profiles of zinc-blende CdS and CdTe measured at an intermediate resolution of 0.39 a.u. using our 20 Ci 137 Cs Compton spectrometer. The electronic band structure calculations for both the zinc-blende structure compounds and also wurtzite CdS have been undertaken using various schemes of ab-initio linear combination of atomic orbitals calculations implemented in CRYSTAL03 code. The band structure and Mulliken's populations are reported using density functional scheme. In case of wurtzite CdS, our theoretical anisotropies in directional Compton profiles are compared with available experimental data. In case of both the zinc-blende compounds, the isotropic experimental profiles are found to be in better agreement with the present Hartree-Fock calculations. A study of the equal-valence-electron-density experimental profiles of zinc-blende CdS and CdTe shows that the CdS is more ionic than CdTe. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Complex band structures of transition metal dichalcogenide monolayers with spin–orbit coupling effects

International Nuclear Information System (INIS)

Szczęśniak, Dominik; Ennaoui, Ahmed; Ahzi, Saïd

2016-01-01

Recently, the transition metal dichalcogenides have attracted renewed attention due to the potential use of their low-dimensional forms in both nano- and opto-electronics. In such applications, the electronic and transport properties of monolayer transition metal dichalcogenides play a pivotal role. The present paper provides a new insight into these essential properties by studying the complex band structures of popular transition metal dichalcogenide monolayers (MX 2 , where M   =  Mo, W; X   =  S, Se, Te) while including spin–orbit coupling effects. The conducted symmetry-based tight-binding calculations show that the analytical continuation from the real band structures to the complex momentum space leads to nonlinear generalized eigenvalue problems. Herein an efficient method for solving such a class of nonlinear problems is presented and yields a complete set of physically relevant eigenvalues. Solutions obtained by this method are characterized and classified into propagating and evanescent states, where the latter states manifest not only monotonic but also oscillatory decay character. It is observed that some of the oscillatory evanescent states create characteristic complex loops at the direct band gap of MX 2 monolayers, where electrons can directly tunnel between the band gap edges. To describe these tunneling currents, decay behavior of electronic states in the forbidden energy region is elucidated and their importance within the ballistic transport regime is briefly discussed. (paper)

Complex band structures of transition metal dichalcogenide monolayers with spin-orbit coupling effects

Science.gov (United States)

Szczęśniak, Dominik; Ennaoui, Ahmed; Ahzi, Saïd

2016-09-01

Recently, the transition metal dichalcogenides have attracted renewed attention due to the potential use of their low-dimensional forms in both nano- and opto-electronics. In such applications, the electronic and transport properties of monolayer transition metal dichalcogenides play a pivotal role. The present paper provides a new insight into these essential properties by studying the complex band structures of popular transition metal dichalcogenide monolayers (MX 2, where M  =  Mo, W; X  =  S, Se, Te) while including spin-orbit coupling effects. The conducted symmetry-based tight-binding calculations show that the analytical continuation from the real band structures to the complex momentum space leads to nonlinear generalized eigenvalue problems. Herein an efficient method for solving such a class of nonlinear problems is presented and yields a complete set of physically relevant eigenvalues. Solutions obtained by this method are characterized and classified into propagating and evanescent states, where the latter states manifest not only monotonic but also oscillatory decay character. It is observed that some of the oscillatory evanescent states create characteristic complex loops at the direct band gap of MX 2 monolayers, where electrons can directly tunnel between the band gap edges. To describe these tunneling currents, decay behavior of electronic states in the forbidden energy region is elucidated and their importance within the ballistic transport regime is briefly discussed.

Transfer and Dynamic Inversion of Coassembled Supramolecular Chirality through 2D-Sheet to Rolled-Up Tubular Structure.

Science.gov (United States)

Choi, Heekyoung; Cho, Kang Jin; Seo, Hyowon; Ahn, Junho; Liu, Jinying; Lee, Shim Sung; Kim, Hyungjun; Feng, Chuanliang; Jung, Jong Hwa

2017-12-13

Transfer and inversion of supramolecular chirality from chiral calix[4]arene analogs (3D and 3L) with an alanine moiety to an achiral bipyridine derivative (1) with glycine moieties in a coassembled hydrogel are demonstrated. Molecular chirality of 3D and 3L could transfer supramolecular chirality to an achiral bipyridine derivative 1. Moreover, addition of 0.6 equiv of 3D or 3L to 1 induced supramolecular chirality inversion of 1. More interestingly, the 2D-sheet structure of the coassembled hydrogels formed with 0.2 equiv of 3D or 3L changed to a rolled-up tubular structure in the presence of 0.6 equiv of 3D or 3L. The chirality inversion and morphology change are mainly mediated by intermolecular hydrogen-bonding interactions between the achiral and chiral molecules, which might be induced by reorientations of the assembled molecules, confirmed by density functional theory calculations.

Required Accuracy of Structural Constraints in the Inversion of Electrical Resistivity Data for Improved Water Content Estimation

Science.gov (United States)

Heinze, T.; Budler, J.; Weigand, M.; Kemna, A.

2017-12-01

Water content distribution in the ground is essential for hazard analysis during monitoring of landslide prone hills. Geophysical methods like electrical resistivity tomography (ERT) can be utilized to determine the spatial distribution of water content using established soil physical relationships between bulk electrical resistivity and water content. However, often more dominant electrical contrasts due to lithological structures outplay these hydraulic signatures and blur the results in the inversion process. Additionally, the inversion of ERT data requires further constraints. In the standard Occam inversion method, a smoothness constraint is used, assuming that soil properties change softly in space. While this applies in many scenarios, sharp lithological layers with strongly divergent hydrological parameters, as often found in landslide prone hillslopes, are typically badly resolved by standard ERT. We use a structurally constrained ERT inversion approach for improving water content estimation in landslide prone hills by including a-priori information about lithological layers. The smoothness constraint is reduced along layer boundaries identified using seismic data. This approach significantly improves water content estimations, because in landslide prone hills often a layer of rather high hydraulic conductivity is followed by a hydraulic barrier like clay-rich soil, causing higher pore pressures. One saturated layer and one almost drained layer typically result also in a sharp contrast in electrical resistivity, assuming that surface conductivity of the soil does not change in similar order. Using synthetic data, we study the influence of uncertainties in the a-priori information on the inverted resistivity and estimated water content distribution. We find a similar behavior over a broad range of models and depths. Based on our simulation results, we provide best-practice recommendations for field applications and suggest important tests to obtain reliable

Structure design for a 500 GeV S-band linear collider

International Nuclear Information System (INIS)

Hahne, P.; Holtkamp, N.; Klatt, R.; Weiland, T.

1991-01-01

Constant gradient structures with an accelerating gradient of 20 MeV per meter are commonly used with S-band frequency. The well known features of these travelling wave tubes provide a dedicated design for their use in the next generation linear collider. Some of the required design parameters for this tubes are presented within the whole concept of this collider with an active length of about 30 km. The choice of these parameters is explained and calculations concerning the structure are presented

Complex layered materials and periodic electromagnetic band-gap structures: Concepts, characterizations, and applications

Science.gov (United States)

Mosallaei, Hossein

The main objective of this dissertation is to characterize and create insight into the electromagnetic performances of two classes of composite structures, namely, complex multi-layered media and periodic Electromagnetic Band-Gap (EBG) structures. The advanced and diversified computational techniques are applied to obtain their unique propagation characteristics and integrate the results into some novel applications. In the first part of this dissertation, the vector wave solution of Maxwell's equations is integrated with the Genetic Algorithm (GA) optimization method to provide a powerful technique for characterizing multi-layered materials, and obtaining their optimal designs. The developed method is successfully applied to determine the optimal composite coatings for Radar Cross Section (RCS) reduction of canonical structures. Both monostatic and bistatic scatterings are explored. A GA with hybrid planar/curved surface implementation is also introduced to efficiently obtain the optimal absorbing materials for curved structures. Furthermore, design optimization of the non-uniform Luneburg and 2-shell spherical lens antennas utilizing modal solution/GA-adaptive-cost function is presented. The lens antennas are effectively optimized for both high gain and suppressed grating lobes. The second part demonstrates the development of an advanced computational engine, which accurately computes the broadband characteristics of challenging periodic electromagnetic band-gap structures. This method utilizes the Finite Difference Time Domain (FDTD) technique with Periodic Boundary Condition/Perfectly Matched Layer (PBC/PML), which is efficiently integrated with the Prony scheme. The computational technique is successfully applied to characterize and present the unique propagation performances of different classes of periodic structures such as Frequency Selective Surfaces (FSS), Photonic Band-Gap (PBG) materials, and Left-Handed (LH) composite media. The results are

Transmuted Generalized Inverse Weibull Distribution

OpenAIRE

Merovci, Faton; Elbatal, Ibrahim; Ahmed, Alaa

2013-01-01

A generalization of the generalized inverse Weibull distribution so-called transmuted generalized inverse Weibull dis- tribution is proposed and studied. We will use the quadratic rank transmutation map (QRTM) in order to generate a flexible family of probability distributions taking generalized inverse Weibull distribution as the base value distribution by introducing a new parameter that would offer more distributional flexibility. Various structural properties including explicit expression...

Developments in inverse photoemission spectroscopy

International Nuclear Information System (INIS)

Sheils, W.; Leckey, R.C.G.; Riley, J.D.

1996-01-01

In the 1950's and 1960's, Photoemission Spectroscopy (PES) established itself as the major technique for the study of the occupied electronic energy levels of solids. During this period the field divided into two branches: X-ray Photoemission Spectroscopy (XPS) for photon energies greater than ∼l000eV, and Ultra-violet Photoemission Spectroscopy (UPS) for photon energies below ∼100eV. By the 1970's XPS and UPS had become mature techniques. Like XPS, BIS (at x-ray energies) does not have the momentum-resolving ability of UPS that has contributed much to the understanding of the occupied band structures of solids. BIS moved into a new energy regime in 1977 when Dose employed a Geiger-Mueller tube to obtain density of unoccupied states data from a tantalum sample at a photon energy of ∼9.7eV. At similar energies, the technique has since become known as Inverse Photoemission Spectroscopy (IPS), in acknowledgment of its complementary relationship to UPS and to distinguish it from the higher energy BIS. Drawing on decades of UPS expertise, IPS has quickly moved into areas of interest where UPS has been applied; metals, semiconductors, layer compounds, adsorbates, ferromagnets, and superconductors. At La Trobe University an IPS facility has been constructed. This presentation reports on developments in the experimental and analytical techniques of IPS that have been made there. The results of a study of the unoccupied bulk and surface bands of GaAs are presented

A Parameterized Inversion Model for Soil Moisture and Biomass from Polarimetric Backscattering Coefficients

Science.gov (United States)

Truong-Loi, My-Linh; Saatchi, Sassan; Jaruwatanadilok, Sermsak

2012-01-01

A semi-empirical algorithm for the retrieval of soil moisture, root mean square (RMS) height and biomass from polarimetric SAR data is explained and analyzed in this paper. The algorithm is a simplification of the distorted Born model. It takes into account the physical scattering phenomenon and has three major components: volume, double-bounce and surface. This simplified model uses the three backscattering coefficients ( sigma HH, sigma HV and sigma vv) at low-frequency (P-band). The inversion process uses the Levenberg-Marquardt non-linear least-squares method to estimate the structural parameters. The estimation process is entirely explained in this paper, from initialization of the unknowns to retrievals. A sensitivity analysis is also done where the initial values in the inversion process are varying randomly. The results show that the inversion process is not really sensitive to initial values and a major part of the retrievals has a root-mean-square error lower than 5% for soil moisture, 24 Mg/ha for biomass and 0.49 cm for roughness, considering a soil moisture of 40%, roughness equal to 3cm and biomass varying from 0 to 500 Mg/ha with a mean of 161 Mg/ha

Photonic band structures solved by a plane-wave-based transfer-matrix method.

Science.gov (United States)

Li, Zhi-Yuan; Lin, Lan-Lan

2003-04-01

Transfer-matrix methods adopting a plane-wave basis have been routinely used to calculate the scattering of electromagnetic waves by general multilayer gratings and photonic crystal slabs. In this paper we show that this technique, when combined with Bloch's theorem, can be extended to solve the photonic band structure for 2D and 3D photonic crystal structures. Three different eigensolution schemes to solve the traditional band diagrams along high-symmetry lines in the first Brillouin zone of the crystal are discussed. Optimal rules for the Fourier expansion over the dielectric function and electromagnetic fields with discontinuities occurring at the boundary of different material domains have been employed to accelerate the convergence of numerical computation. Application of this method to an important class of 3D layer-by-layer photonic crystals reveals the superior convergency of this different approach over the conventional plane-wave expansion method.

Photonic band structures solved by a plane-wave-based transfer-matrix method

International Nuclear Information System (INIS)

Li Zhiyuan; Lin Lanlan

2003-01-01

Transfer-matrix methods adopting a plane-wave basis have been routinely used to calculate the scattering of electromagnetic waves by general multilayer gratings and photonic crystal slabs. In this paper we show that this technique, when combined with Bloch's theorem, can be extended to solve the photonic band structure for 2D and 3D photonic crystal structures. Three different eigensolution schemes to solve the traditional band diagrams along high-symmetry lines in the first Brillouin zone of the crystal are discussed. Optimal rules for the Fourier expansion over the dielectric function and electromagnetic fields with discontinuities occurring at the boundary of different material domains have been employed to accelerate the convergence of numerical computation. Application of this method to an important class of 3D layer-by-layer photonic crystals reveals the superior convergency of this different approach over the conventional plane-wave expansion method

QUANTUM-MECHANICAL MODELING OF SPATIAL AND BAND STRUCTURE OF Y3AL5O12 SCINTILLATION CRYSTAL

Directory of Open Access Journals (Sweden)

I. I. Vrubel

2016-05-01

Full Text Available Spatial and electronic structures of a unit cell of yttrium-aluminum garnet have been studied. Quantum-mechanical model have been presented. Semi-empirical methods PM6 and PM7 have been used for geometry optimization of the crystal unit cell. Band structure has been calculated within density functional theory with the use of PBE exchange-correlation functional. Histograms of metal-oxygen distances for equilibrium geometry have been constructed. Comparison of the used methods has been carried out and recommendation about their applicability for such problems was given. The single-particle wave functions and energies have been calculated. The bandgap was estimated. The band structure was plotted. It was shown that the method gives reliable results for spatial and band structure of Y3Al5O12 scintillation crystal. The results of this work can be used for improvement of characteristics of garnet scintillation crystals.

Design for a Crane Metallic Structure Based on Imperialist Competitive Algorithm and Inverse Reliability Strategy

Science.gov (United States)

Fan, Xiao-Ning; Zhi, Bo

2017-07-01

Uncertainties in parameters such as materials, loading, and geometry are inevitable in designing metallic structures for cranes. When considering these uncertainty factors, reliability-based design optimization (RBDO) offers a more reasonable design approach. However, existing RBDO methods for crane metallic structures are prone to low convergence speed and high computational cost. A unilevel RBDO method, combining a discrete imperialist competitive algorithm with an inverse reliability strategy based on the performance measure approach, is developed. Application of the imperialist competitive algorithm at the optimization level significantly improves the convergence speed of this RBDO method. At the reliability analysis level, the inverse reliability strategy is used to determine the feasibility of each probabilistic constraint at each design point by calculating its α-percentile performance, thereby avoiding convergence failure, calculation error, and disproportionate computational effort encountered using conventional moment and simulation methods. Application of the RBDO method to an actual crane structure shows that the developed RBDO realizes a design with the best tradeoff between economy and safety together with about one-third of the convergence speed and the computational cost of the existing method. This paper provides a scientific and effective design approach for the design of metallic structures of cranes.

Structural, electronic and magnetic properties of partially inverse spinel CoFe2O4: a first-principles study

International Nuclear Information System (INIS)

Hou, Y H; Liu, Z W; Yu, H Y; Zhong, X C; Qiu, W Q; Zeng, D C; Wen, L S; Zhao, Y J

2010-01-01

Partially inverse spinel CoFe 2 O 4 , which may be prepared through various heat treatments, differs remarkably from the ideal inverse spinel in many properties. The structure of partially inverse spinel CoFe 2 O 4 as well as its electronic and magnetic properties through a systemic theoretical calculation of (Co 1-x Fe x ) Tet (Co x Fe 2-x ) Oct O 4 (x = 0, 0.25, 0.5, 0.75 and 1.0) have been investigated by the generalized gradient approximation (GGA) + U approach. It is found that the Co and Fe ions prefer their high spin configurations with higher spin moments at octahedral sites in all the studied cases, in line with experimental observations. The Co ions at the octahedral sites favour being far away from each other in the partial inverse spinels, which also show half metallicity at certain inversion degrees.

Engineered band structure for an enhanced performance on quantum dot-sensitized solar cells

Energy Technology Data Exchange (ETDEWEB)

Jin, Bin Bin [Key Laboratory of Macromolecular Science of Shaanxi Province and School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Department of Chemical Engineering, Institute of Chemical Industry, Shaanxi Institute of Technology, Xi' an 710300 (China); Wang, Ye Feng [School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi' an 710062 (China); Wei, Dong; Chen, Yu; Zeng, Jing Hui, E-mail: jhzeng@ustc.edu [Key Laboratory of Macromolecular Science of Shaanxi Province and School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Cui, Bin [School of Chemistry and Materials Science, Northwestern University, Xi' an 710620 (China)

2016-06-20

A photon-to-current efficiency of 2.93% is received for the Mn-doped CdS (MCdS)-quantum dot sensitized solar cells (QDSSCs) using Mn:ZnO (MZnO) nanowire as photoanode. Hydrothermal synthesized MZnO are spin-coated on fluorine doped tin oxide (FTO) glass with P25 paste to serve as photoanode after calcinations. MCdS was deposited on the MZnO film by the successive ionic layer adsorption and reaction method. The long lived excitation energy state of Mn{sup 2+} is located inside the conduction band in the wide bandgap ZnO and under the conduction band of CdS, which increases the energetic overlap of donor and acceptor states, reducing the “loss-in-potential,” inhibiting charge recombination, and accelerating electron injection. The engineered band structure is well reflected by the electrochemical band detected using cyclic voltammetry. Cell performances are evidenced by current density-voltage (J-V) traces, diffuse reflectance spectra, transient PL spectroscopy, and incident photon to current conversion efficiency characterizations. Further coating of CdSe on MZnO/MCdS electrode expands the light absorption band of the sensitizer, an efficiency of 4.94% is received for QDSSCs.

First-principles study on band structures and electrical transports of doped-SnTe

Directory of Open Access Journals (Sweden)

Xiao Dong

2016-06-01

Full Text Available Tin telluride is a thermoelectric material that enables the conversion of thermal energy to electricity. SnTe demonstrates a great potential for large-scale applications due to its lead-free nature and the similar crystal structure to PbTe. In this paper, the effect of dopants (i.e., Mg, Ca, Sr, Ba, Eu, Yb, Zn, Cd, Hg, and In on the band structures and electrical transport properties of SnTe was investigated based on the first-principles density functional theory including spin–orbit coupling. The results show that Zn and Cd have a dominant effect of band convergence, leading to power factor enhancement. Indium induces obvious resonant states, while Hg-doped SnTe exhibits a different behavior with defect states locating slightly above the Fermi level.

Uncertainty Estimation of Shear-wave Velocity Structure from Bayesian Inversion of Microtremor Array Dispersion Data

Science.gov (United States)

Dosso, S. E.; Molnar, S.; Cassidy, J.

2010-12-01

Bayesian inversion of microtremor array dispersion data is applied, with evaluation of data errors and model parameterization, to produce the most-probable shear-wave velocity (VS) profile together with quantitative uncertainty estimates. Generally, the most important property characterizing earthquake site response is the subsurface VS structure. The microtremor array method determines phase velocity dispersion of Rayleigh surface waves from multi-instrument recordings of urban noise. Inversion of dispersion curves for VS structure is a non-unique and nonlinear problem such that meaningful evaluation of confidence intervals is required. Quantitative uncertainty estimation requires not only a nonlinear inversion approach that samples models proportional to their probability, but also rigorous estimation of the data error statistics and an appropriate model parameterization. A Bayesian formulation represents the solution of the inverse problem in terms of the posterior probability density (PPD) of the geophysical model parameters. Markov-chain Monte Carlo methods are used with an efficient implementation of Metropolis-Hastings sampling to provide an unbiased sample from the PPD to compute parameter uncertainties and inter-relationships. Nonparametric estimation of a data error covariance matrix from residual analysis is applied with rigorous a posteriori statistical tests to validate the covariance estimate and the assumption of a Gaussian error distribution. The most appropriate model parameterization is determined using the Bayesian information criterion (BIC), which provides the simplest model consistent with the resolving power of the data. Parameter uncertainties are found to be under-estimated when data error correlations are neglected and when compressional-wave velocity and/or density (nuisance) parameters are fixed in the inversion. Bayesian inversion of microtremor array data is applied at two sites in British Columbia, the area of highest seismic risk in

SLAC High Gradient Testing of a KEK X-Band Accelerator Structure

International Nuclear Information System (INIS)

Loewen, Rod

2000-01-01

The high accelerating gradients required for future linear colliders demands a better study of field emission and RF breakdown in accelerator structures. Changes in structure geometry, vacuum pumping, fabrication methods, and surface finish can all potentially impact the conditioning process, dark current emission, and peak RF power handling capability. Recent tests at SLAC of KEK's ''M2'' travelling wave x-band accelerator section provides an opportunity to investigate some of these effects by comparing its performance to previously high power tested structures at SLAC. In addition to studying ultimate power limitations, this test also demonstrates the use of computer automated conditioning to reach practical, achievable gradients

STATUS OF X-BAND STANDING WAVE STRUCTURE STUDIES AT SLAC

International Nuclear Information System (INIS)

Dolgashev, Valery A.

2003-01-01

The linacs proposed for the Next Linear Collider (NLC) and Japanese Linear Collider (JLC) would contain several thousand X-Band accelerator structures that would operate at a loaded gradient of 50 MV/m. An extensive experimental and theoretical program is underway at SLAC, FNAL and KEK to develop structures that reliably operate at this gradient. The development of standing wave structures is a part of this program. The properties of standing wave structures allow them to operate at the loaded gradient in contrast to traveling wave structures that need conditioning to the unloaded gradient (65 MV/m for NLC/JLC). The gradients in the standing structures tested thus far have been limited by input coupler breakdowns. The behavior of these breakdowns is consistent with a model of pulsed heating due to high magnetic fields. New input couplers have been designed to reduce maximum magnetic fields. This paper discusses design considerations related to high power performance, wakefield suppression and results of high power tests of prototype standing wave structures

Breakdown Characteristics Study on an 18 Cell X-band Structure

International Nuclear Information System (INIS)

Wang, F

2008-01-01

A CLIC designed 18 cells, low group velocity (2.4% to 1.0% c), X-band (11.4 GHz) accelerator structure (denoted T18) was designed at CERN, its cells were built at KEK, and it was assembled and tested at SLAC. An interesting feature of this structure is that the gradient in the last cell is about 50% higher than that in the first cell. This structure has been RF conditioned at SLAC NLCTA for about 1400 hours where it incurred about 2200 breakdowns. This paper presents the characteristics of these breakdowns, including (1) the breakdown rate dependence on gradient, pulse width and conditioning time, (2) the breakdown distribution along the structure, (3) relation between breakdown and pulsed heating dependence study and (4) electric field decay time for breakdown changing over the whole conditioning time. Overall, this structure performed very well, having a final breakdown rate of less than 1e-6/pulse/m at 106 MV/m with 230 ns pulse width

Breakdown Characteristics Study on an 18 Cell X-band Structure

International Nuclear Information System (INIS)