Tunable Band Gap and Conductivity Type of ZnSe/Si Core-Shell Nanowire Heterostructures

Directory of Open Access Journals (Sweden)

Yijie Zeng

2014-10-01

Full Text Available The electronic properties of zincblende ZnSe/Si core-shell nanowires (NWs with a diameter of 1.1–2.8 nm are calculated by means of the first principle calculation. Band gaps of both ZnSe-core/Si-shell and Si-core/ZnSe-shell NWs are much smaller than those of pure ZnSe or Si NWs. Band alignment analysis reveals that the small band gaps of ZnSe/Si core-shell NWs are caused by the interface state. Fixing the ZnSe core size and enlarging the Si shell would turn the NWs from intrinsic to p-type, then to metallic. However, Fixing the Si core and enlarging the ZnSe shell would not change the band gap significantly. The partial charge distribution diagram shows that the conduction band maximum (CBM is confined in Si, while the valence band maximum (VBM is mainly distributed around the interface. Our findings also show that the band gap and conductivity type of ZnSe/Si core-shell NWs can be tuned by the concentration and diameter of the core-shell material, respectively.

Quantum conductance of 4,4-bipyridine molecular junctions: Role of electrode work function and local d band

DEFF Research Database (Denmark)

Rauba, J.M.C.; Strange, Mikkel; Thygesen, Kristian Sommer

2008-01-01

conductance than the Pt-BPD junction due to the smaller work function of Au as compared to Pt. On the other hand, coupling to the local d band is stronger in the case of Pt and this broadens the LUMO resonance. We find that these effects largely outbalance each other leading to conductances of 0.01G(0) and 0......-principles results within a simple single-level model....

Multi-band Modelling of Appearance

DEFF Research Database (Denmark)

Stegmann, Mikkel Bille; Larsen, Rasmus

2003-01-01

the appearance of both derived feature bands and an intensity band. As a special case of feature-band augmented appearance modelling we propose a dedicated representation with applications to face segmentation. The representation addresses a major problem within face recognition by lowering the sensitivity...

Multi-band Modelling of Appearance

DEFF Research Database (Denmark)

Stegmann, Mikkel Bille; Larsen, Rasmus

2002-01-01

the appearance of both derived feature bands and an intensity band. As a special case of feature-band augmented appearance modelling we propose a dedicated representation with applications to face segmentation. The representation addresses a major problem within face recognition by lowering the sensitivity...

Effects of Conducting Instruction on the Musical Performance of Beginning Band Students.

Science.gov (United States)

Kelly, Steven N.

1997-01-01

Investigates the effects of conducting instruction on beginning band students' individual rhythmic performance, group rhythmic performance, group performance of legato and staccato, and group performance of phrasing and dynamics. The students represented diverse ethnic and cultural backgrounds. Concludes the conducting instruction is a useful tool…

Comparison of band-to-band tunneling models in Si and Si—Ge junctions

International Nuclear Information System (INIS)

Jiao Yipeng; Wang Taihuan; Wei Kangliang; Du Gang; Liu Xiaoyan

2013-01-01

We compared several different band-to-band tunneling (BTBT) models with both Sentaurus and the two-dimensional full-band Monte Carlo simulator in Si homo-junctions and Si—Ge hetero-junctions. It was shown that in Si homo-junctions, different models could achieve similar results. However, in the Si—Ge hetero-junctions, there were significant differences among these models at high reverse biases (over 2 V). Compared to the nonlocal model, the local models in Sentaurus underrated the BTBT rate distinctly, and the Monte Carlo method was shown to give a better approximation. Additionally, it was found that in the Si region near the interface of the Si—Ge hetero-junctions, the direct tunneling rates increased largely due to the interaction of the band structures of Si and Ge. (semiconductor physics)

Electron correlations in narrow energy bands: modified polar model approach

Directory of Open Access Journals (Sweden)

L. Didukh

2008-09-01

Full Text Available The electron correlations in narrow energy bands are examined within the framework of the modified form of polar model. This model permits to analyze the effect of strong Coulomb correlation, inter-atomic exchange and correlated hopping of electrons and explain some peculiarities of the properties of narrow-band materials, namely the metal-insulator transition with an increase of temperature, nonlinear concentration dependence of Curie temperature and peculiarities of transport properties of electronic subsystem. Using a variant of generalized Hartree-Fock approximation, the single-electron Green's function and quasi-particle energy spectrum of the model are calculated. Metal-insulator transition with the change of temperature is investigated in a system with correlated hopping. Processes of ferromagnetic ordering stabilization in the system with various forms of electronic DOS are studied. The static conductivity and effective spin-dependent masses of current carriers are calculated as a function of electron concentration at various DOS forms. The correlated hopping is shown to cause the electron-hole asymmetry of transport and ferromagnetic properties of narrow band materials.

Collapse and revival in inter-band oscillations of a two-band Bose-Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Ploetz, Patrick; Wimberger, Sandro [Institut fuer Theoretische Physik, Universitaet Heidelberg, Philosophenweg 19, 69120 Heidelberg (Germany); Madronero, Javier, E-mail: ploetz@thphys.uni-heidelberg.d [Physik Department, Technische Universitaet Muenchen, James-Franck-Str. 1, 85748 Garching (Germany)

2010-04-28

We study the effect of a many-body interaction on inter-band oscillations in a two-band Bose-Hubbard model with an external Stark force. Weak and strong inter-band oscillations are observed, where the latter arise from a resonant coupling of the bands. These oscillations collapse and revive due to a weak two-body interaction between the atoms. Effective models for oscillations in and out of resonance are introduced that provide predictions for the system's behaviour, particularly for the time scales for the collapse and revival of the resonant inter-band oscillations. (fast track communication)

Simultaneous Conduction and Valence Band Quantization in Ultrashallow High-Density Doping Profiles in Semiconductors

Science.gov (United States)

Mazzola, F.; Wells, J. W.; Pakpour-Tabrizi, A. C.; Jackman, R. B.; Thiagarajan, B.; Hofmann, Ph.; Miwa, J. A.

2018-01-01

We demonstrate simultaneous quantization of conduction band (CB) and valence band (VB) states in silicon using ultrashallow, high-density, phosphorus doping profiles (so-called Si:P δ layers). We show that, in addition to the well-known quantization of CB states within the dopant plane, the confinement of VB-derived states between the subsurface P dopant layer and the Si surface gives rise to a simultaneous quantization of VB states in this narrow region. We also show that the VB quantization can be explained using a simple particle-in-a-box model, and that the number and energy separation of the quantized VB states depend on the depth of the P dopant layer beneath the Si surface. Since the quantized CB states do not show a strong dependence on the dopant depth (but rather on the dopant density), it is straightforward to exhibit control over the properties of the quantized CB and VB states independently of each other by choosing the dopant density and depth accordingly, thus offering new possibilities for engineering quantum matter.

Conduction band mass determinations for n-type InGaAs/InAlAs single quantum wells

Energy Technology Data Exchange (ETDEWEB)

Jones, E.D.; Reno, J.L. [Sandia National Labs., Albuquerque, NM (United States); Kotera, Nobuo [Kyushu Inst. of Tech., Iizuka, Fukuoka (Japan); Wang, Y. [Florida State Univ., Tallahassee, FL (United States). National High Magnetic Field Lab.

1998-05-01

The authors report the measurement of the conduction band mass in n-type single 27-ML-wide InGaAs/InAlAs quantum well lattice matched to InP using two methods: (1) Magnetoluminescence spectroscopy and (2) far-infrared cyclotron resonance. The magnetoluminescence method utilizes Landau level transitions between 0 and 14 T at 1.4 K. The far infrared cyclotron resonance measurements were made at 4.2 K and to fields as large up to 18 T. The 2D-carrier density N{sub 2D} = 3 {times} 10{sup 11} cm{sup {minus}2} at low temperatures. The magnetoluminescence technique yielded an effective conduction-band mass of m{sub c} = 0.062m{sub 0} while the far infrared cyclotron resonance measurements gave m{sub c} = 0.056m{sub 0}, where m{sub 0} is the free electron mass. Both measurements show no evidence for any significant conduction-band nonparabolicity.

Role of electrostatic fluctuations in doped semiconductors upon the transition from band to hopping conduction (by the example of p-Ge:Ga)

Energy Technology Data Exchange (ETDEWEB)

Poklonski, N. A., E-mail: poklonski@bsu.by; Vyrko, S. A.; Poklonskaya, O. N. [Belarusian State University (Belarus); Zabrodskii, A. G. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

2016-06-15

The electrostatic model of ionization equilibrium between hydrogen-like acceptors and v-band holes in crystalline covalent p-type semiconductors is developed. The range of applicability of the model is the entire insulator side of the insulator–metal (Mott) phase transition. The density of the spatial distribution of acceptor- and donor-impurity atoms and holes over a crystal was assumed to be Poissonian and the fluctuations of their electrostatic potential energy, to be Gaussian. The model takes into account the effect of a decrease in the energy of affinity of an ionized acceptor to a v-band hole due to Debye–Hückel ion screening by both free v-band holes and localized holes hopping over charge states (0) and (–1) of acceptors in the acceptor band. All donors are in charge state (+1) and are not directly involved in the screening, but ensure the total electroneutrality of a sample. In the quasiclassical approximation, analytical expressions for the root-mean-square fluctuation of the v-band hole energy W{sub p} and effective acceptor bandwidth W{sub a} are obtained. In calculating W{sub a}, only fluctuations caused by the Coulomb interaction between two nearest point charges (impurity ions and holes) are taken into account. It is shown that W{sub p} is lower than W{sub a}, since electrostatic fluctuations do not manifest themselves on scales smaller than the average de Broglie wavelength of a free hole. The delocalization threshold for v-band holes is determined as the sum of the diffusive-percolation threshold and exchange energy of holes. The concentration of free v-band holes is calculated at the temperature T{sub j} of the transition from dc band conductivity to conductivity implemented via hopping over acceptor states, which is determined from the virial theorem. The dependence of the differential energy of the thermal ionization of acceptors at the temperature 3T{sub j}/2 on their concentration N and degree of compensation K (the ratio between the

Model Development for MODIS Thermal Band Electronic Crosstalk

Science.gov (United States)

Chang, Tiejun; Wu, Aisheng; Geng, Xu; Li, Yonghonh; Brinkman, Jake; Keller, Graziela; Xiong, Xiaoxiong

2016-01-01

MODerate-resolution Imaging Spectroradiometer (MODIS) has 36 bands. Among them, 16 thermal emissive bands covering a wavelength range from 3.8 to 14.4 m. After 16 years on-orbit operation, the electronic crosstalk of a few Terra MODIS thermal emissive bands developed substantial issues that cause biases in the EV brightness temperature measurements and surface feature contamination. The crosstalk effects on band 27 with center wavelength at 6.7 m and band 29 at 8.5 m increased significantly in recent years, affecting downstream products such as water vapor and cloud mask. The crosstalk effect is evident in the near-monthly scheduled lunar measurements, from which the crosstalk coefficients can be derived. The development of an alternative approach is very helpful for independent verification.In this work, a physical model was developed to assess the crosstalk impact on calibration as well as in Earth view brightness temperature retrieval. This model was applied to Terra MODIS band 29 empirically to correct the Earth brightness temperature measurements. In the model development, the detectors nonlinear response is considered. The impact of the electronic crosstalk is assessed in two steps. The first step consists of determining the impact on calibration using the on-board blackbody (BB). Due to the detectors nonlinear response and large background signal, both linear and nonlinear coefficients are affected by the crosstalk from sending bands. The second step is to calculate the effects on the Earth view brightness temperature retrieval. The effects include those from affected calibration coefficients and the contamination of Earth view measurements. This model links the measurement bias with crosstalk coefficients, detector non-linearity, and the ratio of Earth measurements between the sending and receiving bands. The correction of the electronic cross talk can be implemented empirically from the processed bias at different brightness temperature. The implementation

A tight binding model study of tunneling conductance spectra of spin and orbitally ordered CMR manganites

Science.gov (United States)

Panda, Saswati; Sahoo, D. D.; Rout, G. C.

2018-04-01

We report here a tight binding model for colossal magnetoresistive (CMR) manganites to study the pseudo gap (PG) behavior near Fermi level. In the Kubo-Ohata type DE model, we consider first and second nearest neighbor interactions for transverse spin fluctuations in core band and hopping integrals in conduction band, in the presence of static band Jahn-Teller distortion. The model Hamiltonian is solved using Zubarev's Green's function technique. The electron density of states (DOS) is found out from the Green's functions. We observe clear PG near Fermi level in the electron DOS.

Conduction-band valley spin splitting in single-layer H-T l2O

Science.gov (United States)

Ma, Yandong; Kou, Liangzhi; Du, Aijun; Huang, Baibiao; Dai, Ying; Heine, Thomas

2018-02-01

Despite numerous studies, coupled spin and valley physics is currently limited to two-dimensional (2D) transition-metal dichalcogenides (TMDCs). Here, we predict an exceptional 2D valleytronic material associated with the spin-valley coupling phenomena beyond 2D TMDCs—single-layer (SL) H-T l2O . It displays large valley spin splitting (VSS), significantly larger than that of 2D TMDCs, and a finite band gap, which are both critically attractive for the integration of valleytronics and spintronics. More importantly, in sharp contrast to all the experimentally confirmed 2D valleytronic materials, where the strong valence-band VSS (0.15-0.46 eV) supports the spin-valley coupling, the VSS in SL H-T l2O is pronounced in its conduction band (0.61 eV), but negligibly small in its valence band (21 meV), thus opening a way for manipulating the coupled spin and valley physics. Moreover, SL H-T l2O possesses extremely high carrier mobility, as large as 9.8 ×103c m2V-1s-1 .

Controlling the conduction band offset for highly efficient ZnO nanorods based perovskite solar cell

International Nuclear Information System (INIS)

Dong, Juan; Shi, Jiangjian; Li, Dongmei; Luo, Yanhong; Meng, Qingbo

2015-01-01

The mechanism of charge recombination at the interface of n-type electron transport layer (n-ETL) and perovskite absorber on the carrier properties in the perovskite solar cell is theoretically studied. By solving the one dimensional diffusion equation with different boundary conditions, it reveals that the interface charge recombination in the perovskite solar cell can be suppressed by adjusting the conduction band offset (ΔE C ) at ZnO ETL/perovskite absorber interface, thus leading to improvements in cell performance. Furthermore, Mg doped ZnO nanorods ETL has been designed to control the energy band levels. By optimizing the doping amount of Mg, the conduction band minimum of the Mg doped ZnO ETL has been raised up by 0.29 eV and a positive ΔE C of about 0.1 eV is obtained. The photovoltage of the cell is thus significantly increased due to the relatively low charge recombination

Conduction band-edge d-states in high-k dielectrics due to Jahn-Teller term splittings

International Nuclear Information System (INIS)

Lucovsky, G.; Fulton, C.C.; Zhang, Y.; Luning, J.; Edge, L.; Whitten, J.L.; Nemanich, R.J.; Schlom, D.G.; Afanase'v, V.V.

2005-01-01

X-ray absorption spectroscopy (XAS) is used to study conduction band edge electronic structure of high-k transition metal (TM) and trivalent lanthanide series rare earth (RE) oxide dielectrics. Empty TM/RE d-states are studied by intra-atomic transitions originating in core level spin-orbit split p-states, and conduction band states are studied in inter-atomic transitions which originate in the oxygen atom 1s core level state. In non-crystalline Zr and Hf silicate alloys, the local bonding symmetry, or crystal field splits these d-states into doubly and triply degenerate features. In nano-crystalline oxides, there are additional d-state splittings due to contributions of more distant neighbors that completely remove d-state degeneracies via the Jahn-Teller effect mechanism. This gives rise to highly localized band edge states that are electronically active in photoconductivity, internal photoemission, and act as bulk traps in metal oxide semiconductor (MOS) devices

Modelling band-to-band tunneling current in InP-based heterostructure photonic devices

NARCIS (Netherlands)

van Engelen, J.P.; Shen, L.; van der Tol, J.J.G.M.; Smit, M.K.; Kockaert, P.; Emplit, P.; Gorza, S.-P.; Massar, S.

2015-01-01

Some semiconductor photonic devices show large discontinuities in the band structure. Short tunnel paths caused by this band structure may lead to an excessive tunneling current, especially in highly doped layers. Modelling of this tunnelling current is therefore important when designing photonic

Enhanced modeling of band nonparabolicity with application to a mid-IR quantum cascade laser structure

International Nuclear Information System (INIS)

Vukovic, N; Radovanovic, J; Milanovic, V

2014-01-01

We analyze the influence of conduction-band nonparabolicity on bound electronic states in the active region of a quantum cascade laser (QCL). Our model assumes expansion of the conduction-band dispersion relation up to a fourth order in wavevector and use of a suitable second boundary condition at the interface of two III-V semiconductor layers. Numerical results, obtained by the transfer matrix method, are presented for two mid-infrared GaAs/Al 0.33 Ga 0.67 As QCL active regions, and they are in very good agreement with experimental data found in the literature. Comparison with a different nonparabolicity model is presented for the example of a GaAs/Al 0.38 Ga 0.62 As-based mid-IR QCL. Calculations have also been carried out for one THz QCL structure to illustrate the possible application of the model in the terahertz part of the spectrum. (paper)

Determination of conduction and valence band electronic structure ...

Indian Academy of Sciences (India)

shifts in the rutile Ti d-band to lower energy with respect to anatase, i.e., ... requires excitation with UV light due to its wide band ... RIXS maps were compared to the theoretical results .... optical methods are insufficient, such as dark samples.

A model study of tunneling conductance spectra of ferromagnetically ordered manganites

Science.gov (United States)

Panda, Saswati; Kar, J. K.; Rout, G. C.

2018-02-01

We report here the interplay of ferromagnetism (FM) and charge density wave (CDW) in manganese oxide systems through the study of tunneling conductance spectra. The model Hamiltonian consists of strong Heisenberg coupling in core t2g band electrons within mean-field approximation giving rise to ferromagnetism. Ferromagnetism is induced in the itinerant eg electrons due to Kubo-Ohata type double exchange (DE) interaction among the t2g and eg electrons. The charge ordering (CO) present in the eg band giving rise to CDW interaction is considered as the extra-mechanism to explain the colossal magnetoresistance (CMR) property of manganites. The magnetic and CDW order parameters are calculated using Zubarev's Green's function technique and solved self-consistently and numerically. The eg electron density of states (DOS) calculated from the imaginary part of the Green's function explains the experimentally observed tunneling conductance spectra. The DOS graph exhibits a parabolic gap near the Fermi energy as observed in tunneling conductance spectra experiments.

Interplay of Coulomb interactions and disorder in three-dimensional quadratic band crossings without time-reversal symmetry and with unequal masses for conduction and valence bands

Science.gov (United States)

Mandal, Ipsita; Nandkishore, Rahul M.

2018-03-01

Coulomb interactions famously drive three-dimensional quadratic band crossing semimetals into a non-Fermi liquid phase of matter. In a previous work [Nandkishore and Parameswaran, Phys. Rev. B 95, 205106 (2017), 10.1103/PhysRevB.95.205106], the effect of disorder on this non-Fermi liquid phase was investigated, assuming that the band structure was isotropic, assuming that the conduction and valence bands had the same band mass, and assuming that the disorder preserved exact time-reversal symmetry and statistical isotropy. It was shown that the non-Fermi liquid fixed point is unstable to disorder and that a runaway flow to strong disorder occurs. In this paper, we extend that analysis by relaxing the assumption of time-reversal symmetry and allowing the electron and hole masses to differ (but continuing to assume isotropy of the low energy band structure). We first incorporate time-reversal symmetry breaking disorder and demonstrate that there do not appear any new fixed points. Moreover, while the system continues to flow to strong disorder, time-reversal-symmetry-breaking disorder grows asymptotically more slowly than time-reversal-symmetry-preserving disorder, which we therefore expect should dominate the strong-coupling phase. We then allow for unequal electron and hole masses. We show that whereas asymmetry in the two masses is irrelevant in the clean system, it is relevant in the presence of disorder, such that the `effective masses' of the conduction and valence bands should become sharply distinct in the low-energy limit. We calculate the RG flow equations for the disordered interacting system with unequal band masses and demonstrate that the problem exhibits a runaway flow to strong disorder. Along the runaway flow, time-reversal-symmetry-preserving disorder grows asymptotically more rapidly than both time-reversal-symmetry-breaking disorder and the Coulomb interaction.

A Combined Theoretical and Experimental View on Valence and Conduction Band Densities of States of Lead Halide Perovskites

Science.gov (United States)

Kronik, Leeor; Endres, James; Egger, David A.; Kulbak, Michael; Kerner, Ross A.; Zhao, Lianfeng; Silver, Scott H.; Hodes, Gary; Rand, Barry P.; Cahen, David; Kahn, Antoine

We present results for the valence and conduction band density of states (DOS), measured via ultraviolet and inverse photoemission spectroscopies for three lead halide perovskites. Specifically, the DOS of MAPbI3, MAPbBr3, and CsPbBr3, grown on different substrates, are compared. Theoretical DOS, calculated via hybrid density functional theory and including spin-orbit coupling, are compared to experimental data. The agreement between experiment and theory, obtained after correcting the latter for quantitative discrepancies, leads to the identification of valence and conduction band spectral features. In particular, this comparison allows for precise determination of the energy position of the band edges, namely ionization energies and electron affinities of these materials. We find an unusually low DOS at the valence band maximum (VBM) of these systems, which confirms and generalizes previous findings of strong band dispersion and low DOS at the VBM of MAPbI3. This calls for special attention when using electron spectroscopy to determine the frontier electronic states of lead halide perovskites.

On averaging the Kubo-Hall conductivity of magnetic Bloch bands leading to Chern numbers

International Nuclear Information System (INIS)

Riess, J.

1997-01-01

The authors re-examine the topological approach to the integer quantum Hall effect in its original form where an average of the Kubo-Hall conductivity of a magnetic Bloch band has been considered. For the precise definition of this average it is crucial to make a sharp distinction between the discrete Bloch wave numbers k 1 , k 2 and the two continuous integration parameters α 1 , α 2 . The average over the parameter domain 0 ≤ α j 1 , k 2 . They show how this can be transformed into a single integral over the continuous magnetic Brillouin zone 0 ≤ α j j , j = 1, 2, n j = number of unit cells in j-direction, keeping k 1 , k 2 fixed. This average prescription for the Hall conductivity of a magnetic Bloch band is exactly the same as the one used for a many-body system in the presence of disorder

Extended two-temperature model for ultrafast thermal response of band gap materials upon impulsive optical excitation

Energy Technology Data Exchange (ETDEWEB)

Shin, Taeho [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Samsung Advanced Institute of Technology, Suwon 443-803 (Korea, Republic of); Teitelbaum, Samuel W.; Wolfson, Johanna; Nelson, Keith A., E-mail: kanelson@mit.edu [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Kandyla, Maria [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Athens 116-35 (Greece)

2015-11-21

Thermal modeling and numerical simulations have been performed to describe the ultrafast thermal response of band gap materials upon optical excitation. A model was established by extending the conventional two-temperature model that is adequate for metals, but not for semiconductors. It considers the time- and space-dependent density of electrons photoexcited to the conduction band and accordingly allows a more accurate description of the transient thermal equilibration between the hot electrons and lattice. Ultrafast thermal behaviors of bismuth, as a model system, were demonstrated using the extended two-temperature model with a view to elucidating the thermal effects of excitation laser pulse fluence, electron diffusivity, electron-hole recombination kinetics, and electron-phonon interactions, focusing on high-density excitation.

Absorption band Q model for the earth

International Nuclear Information System (INIS)

Anderson, D.L.; Given, J.W.

1982-01-01

Body wave, surface wave, and normal mode data are used to place constraints on the frequency dependence of Q in the mantle. With a simple absorption band model it is possible to satisfy the shear sensitive data over a broad frequency range. The quality factor Q/sub s/(ω) is proportional to ω/sup α/ in the band and to ω and ω -1 at higher and lower frequencies, respectively, as appropriate for a relaxation mechanism with a spectrum of relaxation time. The parameters of the band are Q(min) = 80, α = 0.15, and width, 5 decades. The center of the band varies from 10 1 seconds in the upper mantle, to 1.6 x 10 3 seconds in the lower mantle. The shift of the band with depth is consistent with the expected effects of temperature, pressure and stress. High Q, regions of the mantle are attributed to a shift of the absorption band to longer periods. To satisfy the gravest fundamental spheroidal modes and the ScS data, the absorption band must shift back into the short-period seismic band at the base of the mantle. This may be due to a high temperature gradient or high shear stresses. A preliminary attempt is also made to specify bulk dissipation in the mantle and core. Specific features of the absorption band model are low Q in the body wave band at both the top and the base of the mantle, low Q for long-period body waves in the outer core, an inner core Q 2 that increases with period, and low Q/sub p//Q/sub s/ at short periods in the middle mantel. The short-period Q/sub s/ increases rapidly at 400 km and is relatively constant from this depth to 2400 km. The deformational Q of the earth at a period of 14 months is predicted to be 463

Hydrostatic pressure and conduction band non-parabolicity effects on the impurity binding energy in a spherical quantum dot

International Nuclear Information System (INIS)

Sivakami, A.; Mahendran, M.

2010-01-01

The binding energy of a shallow hydrogenic impurity in a spherical quantum dot under hydrostatic pressure with square well potential is calculated using a variational approach within the effective mass approximation. The effect of conduction band non-parabolicity on these energies is also estimated. The binding energy is computed for GaAs spherical quantum dot as a function of dot size, hydrostatic pressure both in the presence and absence of the band non-parabolicity effect. Our results show that (i) the hydrostatic pressure increases the impurity binding energy when dot radius increases for a given pressure, (ii) the hydrostatic pressure with the band non-parabolicity effect effectively increases the binding energy such that the variation is large for smaller dots and (iii) the maximum contribution by the non-parabolicity effect is about 15% for narrow dots. Our results are in good agreement with Perez-Merchancano et al. [J. Phys. Condens. Matter 19 (2007) 026225] who have not considered the conduction band non-parabolicity effect.

Confidence bands for inverse regression models

International Nuclear Information System (INIS)

Birke, Melanie; Bissantz, Nicolai; Holzmann, Hajo

2010-01-01

We construct uniform confidence bands for the regression function in inverse, homoscedastic regression models with convolution-type operators. Here, the convolution is between two non-periodic functions on the whole real line rather than between two periodic functions on a compact interval, since the former situation arguably arises more often in applications. First, following Bickel and Rosenblatt (1973 Ann. Stat. 1 1071–95) we construct asymptotic confidence bands which are based on strong approximations and on a limit theorem for the supremum of a stationary Gaussian process. Further, we propose bootstrap confidence bands based on the residual bootstrap and prove consistency of the bootstrap procedure. A simulation study shows that the bootstrap confidence bands perform reasonably well for moderate sample sizes. Finally, we apply our method to data from a gel electrophoresis experiment with genetically engineered neuronal receptor subunits incubated with rat brain extract

Analysis of the electrical conduction in CdHgTe crystals

International Nuclear Information System (INIS)

Dziuba, Z.

1987-01-01

The electrical conduction versus magnetic field in p-like CdHgTe samples at 77 K is investigated by analysing the conductivity tensor components. The electrical conduction is mainly due to electrons in the conduction band and low-mobility carriers in an impurity band. In the investigated samples Cd/sub x/Hg/sub 1-x/Te with the composition x approximately 0.17 the concentration of electrons in the conduction band is higher than the intrinsic one and in samples with the composition close to HgTe the concentration of electrons in the conduction band is equal to or lower than the intrinsic one. The model of a half-filled impurity band situated close to the bottom of the conduction band is proposed to account for the concentration of electrons in the conduction band. (author)

Transparent Conducting Oxides for Photovoltaics: Manipulation of Fermi Level, Work Function and Energy Band Alignment

Directory of Open Access Journals (Sweden)

Diana E. Proffit

2010-11-01

Full Text Available Doping limits, band gaps, work functions and energy band alignments of undoped and donor-doped transparent conducting oxides Zn0, In2O3, and SnO2 as accessed by X-ray and ultraviolet photoelectron spectroscopy (XPS/UPS are summarized and compared. The presented collection provides an extensive data set of technologically relevant electronic properties of photovoltaic transparent electrode materials and illustrates how these relate to the underlying defect chemistry, the dependence of surface dipoles on crystallographic orientation and/or surface termination, and Fermi level pinning.

X-ray absorption and reflection as probes of the GaN conduction bands: Theory and experiments

Energy Technology Data Exchange (ETDEWEB)

Lambrecht, W.R.L.; Rashkeev, S.N.; Segall, B. [Case Western Reserve Univ., Cleveland, OH (United States)] [and others

1997-04-01

X-ray absorption measurements are a well-known probe of the unoccupied states in a material. The same information can be obtained by using glancing angle X-ray reflectivity. In spite of several existing band structure calculations of the group III nitrides and previous optical studies in UV range, a direct probe of their conduction band densities of states is of interest. The authors performed a joint experimental and theoretical investigation using both of these experimental techniques for wurtzite GaN.

Experimental determination of conduction and valence bands of semiconductor nanoparticles using Kelvin probe force microscopy

International Nuclear Information System (INIS)

Zhang Wen; Chen Yongsheng

2013-01-01

The ability to determine a semiconductor’s band edge positions is important for the design of new photocatalyst materials. In this paper, we introduced an experimental method based on Kelvin probe force microscopy to determine the conduction and valence band edge energies of semiconductor nanomaterials, which has rarely been demonstrated. We tested the method on six semiconductor nanoparticles (α-Fe 2 O 3 , CeO 2 , Al 2 O 3 , CuO, TiO 2 , and ZnO) with known electronic structures. The experimentally determined band edge positions for α-Fe 2 O 3 , Al 2 O 3 , and CuO well matched the literature values with no statistical difference. Except CeO 2 , all other metal oxides had a consistent upward bias in the experimental measurements of band edge positions because of the shielding effect of the adsorbed surface water layer. This experimental approach may outstand as a unique alternative way of probing the band edge energy positions of semiconductor materials to complement the current computational methods, which often find limitations in new synthetic or complex materials. Ultimately, this work provides scientific foundation for developing experimental tools to probe nanoscale electronic properties of photocatalytic materials, which will drive breakthroughs in the design of novel photocatalytic systems and advance the fundamental understanding of material properties.

Periodic Anderson model with correlated conduction electrons: Variational and exact diagonalization study

Science.gov (United States)

Hagymási, I.; Itai, K.; Sólyom, J.

2012-06-01

We investigate an extended version of the periodic Anderson model (the so-called periodic Anderson-Hubbard model) with the aim to understand the role of interaction between conduction electrons in the formation of the heavy-fermion and mixed-valence states. Two methods are used: (i) variational calculation with the Gutzwiller wave function optimizing numerically the ground-state energy and (ii) exact diagonalization of the Hamiltonian for short chains. The f-level occupancy and the renormalization factor of the quasiparticles are calculated as a function of the energy of the f orbital for a wide range of the interaction parameters. The results obtained by the two methods are in reasonably good agreement for the periodic Anderson model. The agreement is maintained even when the interaction between band electrons, Ud, is taken into account, except for the half-filled case. This discrepancy can be explained by the difference between the physics of the one- and higher-dimensional models. We find that this interaction shifts and widens the energy range of the bare f level, where heavy-fermion behavior can be observed. For large-enough Ud this range may lie even above the bare conduction band. The Gutzwiller method indicates a robust transition from Kondo insulator to Mott insulator in the half-filled model, while Ud enhances the quasiparticle mass when the filling is close to half filling.

Band model for d- and f-metals

International Nuclear Information System (INIS)

Koelling, D.D.

1982-01-01

The application of band theory to metallic systems with d- and f-orbitals in the valence and conduction bands is discussed. Because such an application pushes theory and technique to their limits, several important features are briefly recapitulated. Within the transition metal systems, the elemental systems are used to discuss the fundamental formalism being applied and the newer directions into more complex systems are mentioned. Here we focus more on anisotropic properties and Fermi surface properties. Within the f-orbital systems, the focus is more on Ce and its compounds because of current interest with a relatively brief discussion of the actinides. the point of view advanced, however, has its origins in actinide research

A multi-band, multi-level, multi-electron model for efficient FDTD simulations of electromagnetic interactions with semiconductor quantum wells

Science.gov (United States)

Ravi, Koustuban; Wang, Qian; Ho, Seng-Tiong

2015-08-01

We report a new computational model for simulations of electromagnetic interactions with semiconductor quantum well(s) (SQW) in complex electromagnetic geometries using the finite-difference time-domain method. The presented model is based on an approach of spanning a large number of electron transverse momentum states in each SQW sub-band (multi-band) with a small number of discrete multi-electron states (multi-level, multi-electron). This enables accurate and efficient two-dimensional (2-D) and three-dimensional (3-D) simulations of nanophotonic devices with SQW active media. The model includes the following features: (1) Optically induced interband transitions between various SQW conduction and heavy-hole or light-hole sub-bands are considered. (2) Novel intra sub-band and inter sub-band transition terms are derived to thermalize the electron and hole occupational distributions to the correct Fermi-Dirac distributions. (3) The terms in (2) result in an explicit update scheme which circumvents numerically cumbersome iterative procedures. This significantly augments computational efficiency. (4) Explicit update terms to account for carrier leakage to unconfined states are derived, which thermalize the bulk and SQW populations to a common quasi-equilibrium Fermi-Dirac distribution. (5) Auger recombination and intervalence band absorption are included. The model is validated by comparisons to analytic band-filling calculations, simulations of SQW optical gain spectra, and photonic crystal lasers.

Evaluation of Empirical Ray-Tracing Model for an Urban Outdoor Scenario at 73 GHz E-Band

DEFF Research Database (Denmark)

Nguyen, Huan Cong; R. MacCartney Jr., George; Thomas, Timothy

2014-01-01

In the summer of 2013, a wideband propagation measurement campaign using rotating directional antennas at 73 GHz was conducted at the New York University (NYU) campus, in order to collect extensive field measurements for use in a millimeter wave (mmWave) E-band statistical channel model. While...

Band nesting, massive Dirac fermions, and valley Landé and Zeeman effects in transition metal dichalcogenides: A tight-binding model

Science.gov (United States)

Bieniek, Maciej; Korkusiński, Marek; Szulakowska, Ludmiła; Potasz, Paweł; Ozfidan, Isil; Hawrylak, Paweł

2018-02-01

We present here the minimal tight-binding model for a single layer of transition metal dichalcogenides (TMDCs) MX 2(M , metal; X , chalcogen) which illuminates the physics and captures band nesting, massive Dirac fermions, and valley Landé and Zeeman magnetic field effects. TMDCs share the hexagonal lattice with graphene but their electronic bands require much more complex atomic orbitals. Using symmetry arguments, a minimal basis consisting of three metal d orbitals and three chalcogen dimer p orbitals is constructed. The tunneling matrix elements between nearest-neighbor metal and chalcogen orbitals are explicitly derived at K ,-K , and Γ points of the Brillouin zone. The nearest-neighbor tunneling matrix elements connect specific metal and sulfur orbitals yielding an effective 6 ×6 Hamiltonian giving correct composition of metal and chalcogen orbitals but not the direct gap at K points. The direct gap at K , correct masses, and conduction band minima at Q points responsible for band nesting are obtained by inclusion of next-neighbor Mo-Mo tunneling. The parameters of the next-nearest-neighbor model are successfully fitted to MX 2(M =Mo ; X =S ) density functional ab initio calculations of the highest valence and lowest conduction band dispersion along K -Γ line in the Brillouin zone. The effective two-band massive Dirac Hamiltonian for MoS2, Landé g factors, and valley Zeeman splitting are obtained.

Human vision model in relation to characteristics of shapes for the Mach band effect.

Science.gov (United States)

Wu, Bo-Wen; Fang, Yi-Chin

2015-10-01

For human vision to recognize the contours of objects means that, as the contrast variation at the object's edges increases, so will the Mach band effect of human vision. This paper more deeply investigates the relationship between changes in the contours of an object and the Mach band effect of human vision. Based on lateral inhibition and the Mach band effect, we studied subjects' eyes as they watched images of different shapes under a fixed brightness at 34  cd/m2, with changes of contrast and spatial frequency. Three types of display were used: a television, a computer monitor, and a projector. For each display used, we conducted a separate experiment for each shape. Although the maximum values for the contrast sensitivity function curves of the displays were different, their variations were minimal. As the spatial frequency changed, the diminishing effect of the different lines also was minimal. However, as the shapes at the contour intersections were modified by the Mach band effect, a greater degree of variation occurred. In addition, as the spatial frequency at a contour intersection increased, the Mach band effect became lower, along with changes in the corresponding contrast sensitivity function curve. Our experimental results on the characteristics of human vision have led to what we believe is a new vision model based on tests with different shapes. This new model may be used for future development and implementation of an artificial vision system.

H-tailored surface conductivity in narrow band gap In(AsN)

Energy Technology Data Exchange (ETDEWEB)

Velichko, A. V., E-mail: amalia.patane@nottingham.ac.uk, E-mail: anton.velychko@nottingham.ac.uk; Patanè, A., E-mail: amalia.patane@nottingham.ac.uk, E-mail: anton.velychko@nottingham.ac.uk; Makarovsky, O. [School of Physics and Astronomy, The University of Nottingham, Nottingham NG7 2RD (United Kingdom); Capizzi, M.; Polimeni, A. [Dipartimento di Fisica, Sapienza Università di Roma, Piazzale A. Moro 2, 00185 Roma (Italy); Sandall, I. C.; Tan, C. H. [Department of Electronic and Electrical Engineering, The University of Sheffield, Sheffield S1 3JD (United Kingdom); Giubertoni, D. [Center for Materials and Microsystems—Fondazione Bruno Kessler, via Sommarive 18, 38123 Povo, Trento (Italy); Krier, A.; Zhuang, Q. [Physics Department, Lancaster University, Lancaster LA1 4YB (United Kingdom)

2015-01-12

We show that the n-type conductivity of the narrow band gap In(AsN) alloy can be increased within a thin (∼100 nm) channel below the surface by the controlled incorporation of H-atoms. This channel has a large electron sheet density of ∼10{sup 18 }m{sup −2} and a high electron mobility (μ > 0.1 m{sup 2}V{sup −1}s{sup −1} at low and room temperature). For a fixed dose of impinging H-atoms, its width decreases with the increase in concentration of N-atoms that act as H-traps thus forming N-H donor complexes near the surface.

Optical model with multiple band couplings using soft rotator structure

Science.gov (United States)

Martyanov, Dmitry; Soukhovitskii, Efrem; Capote, Roberto; Quesada, Jose Manuel; Chiba, Satoshi

2017-09-01

A new dispersive coupled-channel optical model (DCCOM) is derived that describes nucleon scattering on 238U and 232Th targets using a soft-rotator-model (SRM) description of the collective levels of the target nucleus. SRM Hamiltonian parameters are adjusted to the observed collective levels of the target nucleus. SRM nuclear wave functions (mixed in K quantum number) have been used to calculate coupling matrix elements of the generalized optical model. Five rotational bands are coupled: the ground-state band, β-, γ-, non-axial- bands, and a negative parity band. Such coupling scheme includes almost all levels below 1.2 MeV of excitation energy of targets. The "effective" deformations that define inter-band couplings are derived from SRM Hamiltonian parameters. Conservation of nuclear volume is enforced by introducing a monopolar deformed potential leading to additional couplings between rotational bands. The present DCCOM describes the total cross section differences between 238U and 232Th targets within experimental uncertainty from 50 keV up to 200 MeV of neutron incident energy. SRM couplings and volume conservation allow a precise calculation of the compound-nucleus (CN) formation cross sections, which is significantly different from the one calculated with rigid-rotor potentials with any number of coupled levels.

Geophysical exploration to estimate the surface conductivity of residual argillaceous bands in the groundwater repositories of coastal sediments of EOLGA, Nigeria

Directory of Open Access Journals (Sweden)

N.J. George

2017-06-01

Full Text Available Electrical geophysical applications exploit a petrophysical relationship governing the electrical properties of rocks/sediments when field data are coupled with laboratory data. Given the robust analytical techniques of electrical method and the interrelationship with laboratory measurements, it seems natural to classify, and hence simplify, the spatially aggregated conductivity information on the basis of rock/sediment lithology. This provides a unique link between lithological sediment/rock parameters and the physical parameters controlling bulk conductivity. In this work vertical electrical sounding (VES technique employing Schlumberger configuration integrated with sediment and water analysis have been used to determine the conductivity of argillaceous bands of aquifer sands (fine- coarse sands in Eastern Obolo Local Government Area (EOLGA. The analysis of the data shows that the aquifer systems composing of fine sands, siltstones and coarse sand have bulk and pore-water resistivities ranging from 40.1–2049.4 Ω m (average = 995.18 Ω m to 2.7–256.9 Ω m (average = 91.2 Ω m respectively. These ranges respectively correspond to porosity and formation factor of (19.5–40.6%; average = 29.2% and (7.1–19.7%; average = 12.95%. Within the limit of experimental errors clearly specified in the work, the intrinsic (clay-free formation factor (Fi was estimated to be 16.34 while the intrinsic porosity and the conductivity of the pore-scale clay (σA were respectively estimated to be 20.4% and 3.2679 mS/m. Accounting for this conductivity magnitude of argillaceous bands from bulk conductivity (σb of aquifer sands makes the aquifer systems in the area to be consistent with Archie’s law that is valid only in clay-free sandy formation. The graphical deductions and contour distribution of parameters realised from data processing could be used to derive input parameters for contaminant migration modelling and to improve the

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.

On the electrical conductivity for the mixed-valence model with d-f correlations

International Nuclear Information System (INIS)

Borgiel, W.; Matlak, M.

1984-08-01

The static electrical conductivity of mixed-valence systems is calculated in the model of Matlak and Nolting [Solid State Commun., 47, 11 (1983); Z. Phys., B55, 103 (1984)]. The method takes into account the atomic properties more exactly than those connected with bands, and hence emphasizes the ionic aspect of the problem in some way; indeed, the calculations overestimate the atomic properties. Some results are presented in a graph. It is found that the electrical conductivity depends strongly on temperature and the electron-hole attraction constant

Seven-parameter statistical model for BRDF in the UV band.

Science.gov (United States)

Bai, Lu; Wu, Zhensen; Zou, Xiren; Cao, Yunhua

2012-05-21

A new semi-empirical seven-parameter BRDF model is developed in the UV band using experimentally measured data. The model is based on the five-parameter model of Wu and the fourteen-parameter model of Renhorn and Boreman. Surface scatter, bulk scatter and retro-reflection scatter are considered. An optimizing modeling method, the artificial immune network genetic algorithm, is used to fit the BRDF measurement data over a wide range of incident angles. The calculation time and accuracy of the five- and seven-parameter models are compared. After fixing the seven parameters, the model can well describe scattering data in the UV band.

Comparison and fit of the two and six band k.p models for the band edge structure of Pbsub(1-x)Snsub(x)Te

International Nuclear Information System (INIS)

Weissman, Y.

1975-10-01

The band edge structure of Pbsub(1-x)Snsub(x)Te is derived in detail using a two band ellipsoidal model and compared with a more rigorous calculation based on six bands. A quantitative comparison is made for two values of the energy gap, corresponding to the cases where x=0 and x=0.17. It was found that, for the occupied states in nondegenerate materials, both models are practically equivalent. Discrepancies may occur only in high degeneracies or deep inversion layers. The agreement between both models was significantly improved by introducing an effective energy gap in the two band model. It is suggested that the use of the effective energy gap may improve the agreement between the two band model and experiment whenever the details of the band edge structure enter the interpretation of the experimental results. (author)

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

Broad-band conductivity and dielectric spectroscopy of composites of multiwalled carbon nanotubes and poly(ethylene terephthalate) around their low percolation threshold

Science.gov (United States)

Nuzhnyy, D.; Savinov, M.; Bovtun, V.; Kempa, M.; Petzelt, J.; Mayoral, B.; McNally, T.

2013-02-01

Composites of multiwalled carbon nanotubes with poly(ethylene terephthalate) (PET-MWCNT) with up to 3 vol% MWCNTs were prepared and characterized by broad-band AC conductivity and dielectric spectroscopy up to the infrared range using several techniques. A very low electrical percolation threshold of 0.07 vol% MWCNTs was revealed from the low-frequency conductivity plateau as well as from DC conductivity, whose values show the same critical power dependence on MWCNT concentration with the exponent t = 4.3. Above the plateau, the AC conductivity increases with frequency up to the THz range, where it becomes overlapped with the absorption of vibrational modes. The temperature dependence down to ˜5 K has shown semiconductor behaviour with a concentration-independent but weakly temperature-dependent small activation energy of ˜3 meV. The behaviour is compatible with the previously suggested fluctuation-induced tunnelling conductivity model through a thin (˜1 nm) polymer contact layer among the adjacent MWCNTs within percolated clusters. At higher frequencies, deviations from the simple universal conductivity behaviour are observed, indicating some distribution of energy barriers for an electron hopping mechanism.

Modeling of Wide-Band-Gap Semiconductor Alloys

National Research Council Canada - National Science Library

Lambrecht, W

1998-01-01

.... The band structure and the total energy properties of LiGaO2 were studied in relation to its possible role as a substrate for GaN growth and as a model system for cation ordering on wurtzite based lattices...

Madelung and Hubbard interactions in polaron band model of doped organic semiconductors

Science.gov (United States)

Png, Rui-Qi; Ang, Mervin C.Y.; Teo, Meng-How; Choo, Kim-Kian; Tang, Cindy Guanyu; Belaineh, Dagmawi; Chua, Lay-Lay; Ho, Peter K.H.

2016-01-01

The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π–π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine–fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals. These interactions lower the singly-occupied molecular orbital band below the valence band edge and give rise to an empty low-lying counterpart band. The Fermi level, and hence workfunction, is determined by conjunction of the bottom edge of this empty band and the top edge of the valence band. Calculations are consistent with the observed Fermi-level downshift with counter-anion size and the observed dependence of workfunction on doping level in the strongly doped regime. PMID:27582355

Infrared and dc conductivity in metals with strong scattering: Nonclassical behavior from a generalized Boltzmann equation containing band-mixing effects

International Nuclear Information System (INIS)

Allen, P.B.; Chakraborty, B.

1981-01-01

Metals with high resistivity (approx.100 μΩ cm) seem to show weaker variation of resistivity (as a function of temperature and perhaps also static disorder) than predicted by semiclassical (Bloch-Boltzmann) theory (SBT). We argue that the effect is not closely related to Anderson localization, and therefore does not necessarily signify a failure of the independent collision approximation. Instead we propose a failure of the semiclassical acceleration and conduction approximations. A generalization of Boltzmann theory is made which includes quantum (interband) acceleration and conduction, as well as a complete treatment of interband-collision effects (within the independent-collision approximation). The interband terms enhance short-time response to E fields (because the theory satisfies the exact f-sum rule instead of the semiclassical approximation to it). This suggests that the additional conductivity, as expressed phenomenologically by the shunt resistor model, is explained by interband effects. The scattering operator is complex, its imaginary parts being related to energy-band renormalization caused by the disorder. Charge conservation is respected and thermal equilibrium is restored by the collision operator. The theory is formally solved for the leading corrections to SBT, which have the form of a shunt resistor model. At infrared frequencies, the conductivity mostly obeys the Drude law sigma(ω)approx.sigma(0)(1-iωtau) -1 , except for one term which goes as (1-iωtau) -2

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

Two band model for the cuprates

Science.gov (United States)

Liu, Shiu; White, Steven

2009-03-01

We use a numerical canonical transformation approach to derive an effective two-band model for the hole-doped cuprates, which keeps both oxygen and copper orbitals but removes double occupancy from each. A similar model was considered previously by Frenkel, Gooding, Shraiman, and Siggia (PRB 41, number 1, page 350). We compare the numerically derived model with previously obtained analytical results. In addition to the usual hopping terms between oxygens tpp and Cu-Cu exchange terms Jdd, the model also includes a strong copper-oxygen exchange interaction Jpd and a Kondo-like spin-flip oxygen-oxygen hopping term Kpdp. We use the density matrix renormalization group to study the charge, spin, and pairing properties of the derived model on ladder systems.

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

Superconducting correlations in the one- and two-band Hubbard models

International Nuclear Information System (INIS)

Jain, K.P.; Ramakumar, R.; Chancey, C.C.

1989-01-01

An approximate expression is derived for the generalized energy gap function Δ kμ for a system of interacting electrons in a narrow s-band. This function has the virtue that it interpolates between the weak interaction limit (BCS) and the intermediate coupling regime. Starting from the Cooper pairing state, the authors investigate the build-up of pairing correlations and study the properties of the generalized gap in these two regimes as a function of the band filling. The coupled equations for the gap and the band filling define the self-consistency conditions. A recent extension of this analysis to the two-band model is also discussed

Photoelectric emission from negative-electron-affinity diamond (111) surfaces: Exciton breakup versus conduction-band emission

International Nuclear Information System (INIS)

Bandis, C.; Pate, B.B.

1995-01-01

We have recently reported that bound electron-hole pairs (Mott-Wannier excitons) are the dominant source of photoelectron emission from specially prepared [''as-polished'' C(111)-(1x1):H] negative-electron-affinity diamond surfaces for near-band-gap excitation up to 0.5 eV above threshold [C. Bandis and B. B. Pate, Phys. Rev. Lett. 74, 777 (1995)]. It was found that photoexcited excitons transport to the surface, break up, and emit their electron. In this paper, we extend the study of exciton-derived emission to include partial yield (constant final-state) analysis as well as angular distribution measurements of the photoelectric emission. In addition, we find that exciton-derived emission does not always dominate. Photoelectric emission properties of the in situ ''rehydrogenated'' (111)-(1x1):H diamond surface are characteristically different than emission observed from the as-polished (111)-(1x1):H surface. The rehydrogenated surface has additional downward band bending as compared to the as-polished surface. In confirmation of the assignment of photoelectric yield to exciton breakup emission, we find a significant enhancement of the total electron yield when the downward band bending of the hydrogenated surface is increased. The functional form of the observed total electron yield demonstrates that, in contrast to the as-polished surface, conduction-band electrons are a significant component of the observed photoelectric yield from the in situ hydrogenated (111)-(1x1):H surface. Furthermore, electron emission characteristics of the rehydrogenated surface confirms our assignment of a Fan phonon-cascade mechanism for thermalization of excitons

Anomalies in the 1D Anderson model: Beyond the band-centre and band-edge cases

Science.gov (United States)

Tessieri, L.; Izrailev, F. M.

2018-03-01

We consider the one-dimensional Anderson model with weak disorder. Using the Hamiltonian map approach, we analyse the validity of the random-phase approximation for resonant values of the energy, E = 2 cos(πr) , with r a rational number. We expand the invariant measure of the phase variable in powers of the disorder strength and we show that, contrary to what happens at the centre and at the edges of the band, for all other resonant energies the leading term of the invariant measure is uniform. When higher-order terms are taken into account, a modulation of the invariant measure appears for all resonant values of the energy. This implies that, when the localisation length is computed within the second-order approximation in the disorder strength, the Thouless formula is valid everywhere except at the band centre and at the band edges.

Explaining electric conductivity using the particle-in-a-box model: quantum superposition is the key

Science.gov (United States)

Sivanesan, Umaseh; Tsang, Kin; Izmaylov, Artur F.

2017-12-01

Most of the textbooks explaining electric conductivity in the context of quantum mechanics provide either incomplete or semi-classical explanations that are not connected with the elementary concepts of quantum mechanics. We illustrate the conduction phenomena using the simplest model system in quantum dynamics, a particle in a box (PIB). To induce the particle dynamics, a linear potential tilting the bottom of the box is introduced, which is equivalent to imposing a constant electric field for a charged particle. Although the PIB model represents a closed system that cannot have a flow of electrons through the system, we consider the oscillatory dynamics of the particle probability density as the analogue of the electric current. Relating the amplitude and other parameters of the particle oscillatory dynamics with the gap between the ground and excited states of the PIB model allows us to demonstrate one of the most basic dependencies of electric conductivity on the valence-conduction band gap of the material.

The effect of density-of-state tails on band-to-band tunneling: Theory and application to tunnel field effect transistors

Science.gov (United States)

Sant, S.; Schenk, A.

2017-10-01

It is demonstrated how band tail states in the semiconductor influence the performance of a Tunnel Field Effect Transistor (TFET). As a consequence of the smoothened density of states (DOS) around the band edges, the energetic overlap of conduction and valence band states occurs gradually at the onset of band-to-band tunneling (BTBT), thus degrading the sub-threshold swing (SS) of the TFET. The effect of the band tail states on the current-voltage characteristics is modelled quantum-mechanically based on the idea of zero-phonon trap-assisted tunneling between band and tail states. The latter are assumed to arise from a 3-dimensional pseudo-delta potential proposed by Vinogradov [1]. This model potential allows the derivation of analytical expressions for the generation rate covering the whole range from very strong to very weak localization of the tail states. Comparison with direct BTBT in the one-band effective mass approximation reveals the essential features of tail-to-band tunneling. Furthermore, an analytical solution for the problem of tunneling from continuum states of the disturbed DOS to states in the opposite band is found, and the differences to direct BTBT are worked out. Based on the analytical expressions, a semi-classical model is implemented in a commercial device simulator which involves numerical integration along the tunnel paths. The impact of the tail states on the device performance is analyzed for a nanowire Gate-All-Around TFET. The simulations show that tail states notably impact the transfer characteristics of a TFET. It is found that exponentially decaying band tails result in a stronger degradation of the SS than tail states with a Gaussian decay of their density. The developed model allows more realistic simulations of TFETs including their non-idealities.

Atomic-Monolayer MoS2 Band-to-Band Tunneling Field-Effect Transistor

KAUST Repository

Lan, Yann Wen

2016-09-05

The experimental observation of band-to-band tunneling in novel tunneling field-effect transistors utilizing a monolayer of MoS2 as the conducting channel is demonstrated. Our results indicate that the strong gate-coupling efficiency enabled by two-dimensional materials, such as monolayer MoS2, results in the direct manifestation of a band-to-band tunneling current and an ambipolar transport.

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.

Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation

KAUST Repository

Silver, Scott

2018-02-13

This study presents a combined experimental and theoretical study of the electronic structure of two 2D metal halide perovskite films. Ultraviolet and inverse photoemission spectroscopies are performed on solution-processed thin films of the n = 1 layered perovskite butylammonium lead iodide and bromide, BA2PbI4 and BA2PbBr4, characterized by optical absorption and X-ray diffraction, to determine their valence and conduction band densities of states, transport gaps, and exciton binding energies. The electron spectroscopy results are compared with the densities of states determined by density functional theory calculations. The remarkable agreement between experiment and calculation enables a detailed identification and analysis of the organic and inorganic contributions to the valence and conduction bands of these two hybrid perovskites. The electron affinity and ionization energies are found to be 3.1 and 5.8 eV for BA2PbI4, and 3.1 and 6.5 eV for BA2PbBr4. The exciton binding energies are estimated to be 260 and 300 meV for the two materials, respectively. The 2D lead iodide and bromide perovskites exhibit significantly less band dispersion and a larger density of states at the band edges than the 3D analogs. The effects of using various organic ligands are also discussed.

Theoretical evaluation of maximum electric field approximation of direct band-to-band tunneling Kane model for low bandgap semiconductors

Science.gov (United States)

Dang Chien, Nguyen; Shih, Chun-Hsing; Hoa, Phu Chi; Minh, Nguyen Hong; Thi Thanh Hien, Duong; Nhung, Le Hong

2016-06-01

The two-band Kane model has been popularly used to calculate the band-to-band tunneling (BTBT) current in tunnel field-effect transistor (TFET) which is currently considered as a promising candidate for low power applications. This study theoretically clarifies the maximum electric field approximation (MEFA) of direct BTBT Kane model and evaluates its appropriateness for low bandgap semiconductors. By analysing the physical origin of each electric field term in the Kane model, it has been elucidated in the MEFA that the local electric field term must be remained while the nonlocal electric field terms are assigned by the maximum value of electric field at the tunnel junction. Mathematical investigations have showed that the MEFA is more appropriate for low bandgap semiconductors compared to high bandgap materials because of enhanced tunneling probability in low field regions. The appropriateness of the MEFA is very useful for practical uses in quickly estimating the direct BTBT current in low bandgap TFET devices.

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

Cranking model interpretation of weakly coupled bands in Hg isotopes

International Nuclear Information System (INIS)

Guttormsen, M.; Huebel, H.

1982-01-01

The positive-parity yrast states of the transitional sup(189-198)Hg isotopes are interpreted within the Bengtsson and Frauendorf version of the cranking model. The very sharp backbendings can be explained by small interaction matrix elements between the ground and s-bands. The experimentally observed large aligned angular momenta and the low band-crossing frequencies are well reproduced in the calculations. (orig.)

Bidirectional reflectance distribution function modeling of one-dimensional rough surface in the microwave band

International Nuclear Information System (INIS)

Guo Li-Xin; Gou Xue-Yin; Zhang Lian-Bo

2014-01-01

In this study, the bidirectional reflectance distribution function (BRDF) of a one-dimensional conducting rough surface and a dielectric rough surface are calculated with different frequencies and roughness values in the microwave band by using the method of moments, and the relationship between the bistatic scattering coefficient and the BRDF of a rough surface is expressed. From the theory of the parameters of the rough surface BRDF, the parameters of the BRDF are obtained using a genetic algorithm. The BRDF of a rough surface is calculated using the obtained parameter values. Further, the fitting values and theoretical calculations of the BRDF are compared, and the optimization results are in agreement with the theoretical calculation results. Finally, a reference for BRDF modeling of a Gaussian rough surface in the microwave band is provided by the proposed method. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Contributions of conduction band offset to the enhanced separation efficiency of photoinduced charges for SrTiO3/Bi2O3 heterojunction semiconductor

International Nuclear Information System (INIS)

Zhang, Zhenlong; Zhu, Jichun; Li, Shengjun; Mao, Yanli

2014-01-01

SrTiO 3 /Bi 2 O 3 heterojunction semiconductor was prepared and characterized by X-ray diffraction, UV–vis absorption spectrum, and scanning electron microscope, surface photovoltage spectroscopy, and photoluminescence spectroscopy. The surface photovoltage spectra indicate that the separation efficiency of photoinduced charges for SrTiO 3 /Bi 2 O 3 was enhanced compared with that of SrTiO 3 or Bi 2 O 3 . The energy band diagram of SrTiO 3 /Bi 2 O 3 heterojunction was directly determined with X-ray photoelectron spectroscopy, and the conduction band offset between SrTiO 3 and Bi 2 O 3 was quantified to be 0.28±0.03 eV. The photoluminescence spectra display that the recombination rate of photoinduced carriers for SrTiO 3 /Bi 2 O 3 decreases compared with that of SrTiO 3 or Bi 2 O 3 , which is mainly due to the energy levels matching between them. Therefore the enhanced separation efficiency of photoinduced charges is resulting from the energy difference between the conduction band edges of SrTiO 3 and Bi 2 O 3 . -- Graphical abstract: Enhanced separation efficiency for SrTiO 3 /Bi 2 O 3 is resulting from the energy difference between the conduction band edges. Highlights: ●Heterojunction semiconductor of SrTiO 3 /Bi 2 O 3 was prepared. ●SrTiO 3 /Bi 2 O 3 presents enhanced separation efficiency. ●Conduction band offset between SrTiO 3 and Bi 2 O 3 is quantified. ●Recombination rate of SrTiO 3 /Bi 2 O 3 decreases compared with single phases

Some Effective Tight-Binding Models for Electrons in DNA Conduction: A Review

International Nuclear Information System (INIS)

Yamada, H.; Iguchi, K.

2010-01-01

Quantum transport for DNA conduction has been widely studied with interest in application as a candidate in making nanowires as well as interest in the scientific mechanism. In this paper, we review recent works concerning the electronic states and the conduction/transfer in DNA polymers. We have mainly investigated the energy-band structure and the correlation effects of localization property in the two- and three-chain systems (ladder model) with long-range correlation as a simple model for electronic property in a double strand of DNA by using the tight-bindingmodel. In addition, we investigated the localization properties of electronic states in several actual DNA sequences such as bacteriophages of Escherichia coli, human-chromosome 22, compared with those of the artificial disordered sequences with correlation. The charge-transfer properties for poly(dA)-poly(dT) and poly(dG)-poly(dC) DNA polymers are also presented in terms of localization lengths within the frameworks of the polaron models due to the coupling between the charge carriers and the lattice vibrations of the double strand of DNA

Conduction band structure and electron mobility in uniaxially strained Si via externally applied strain in nanomembranes

Energy Technology Data Exchange (ETDEWEB)

Chen Feng [Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China); Euaruksakul, Chanan; Himpsel, F J; Lagally, Max G [University of Wisconsin-Madison, Madison, WI 53706 (United States); Liu Zheng; Liu Feng, E-mail: lagally@engr.wisc.edu [University of Utah, Salt Lake City, UT 84112 (United States)

2011-08-17

Strain changes the band structure of semiconductors. We use x-ray absorption spectroscopy to study the change in the density of conduction band (CB) states when silicon is uniaxially strained along the [1 0 0] and [1 1 0] directions. High stress can be applied to silicon nanomembranes, because their thinness allows high levels of strain without fracture. Strain-induced changes in both the sixfold degenerate {Delta} valleys and the eightfold degenerate L valleys are determined quantitatively. The uniaxial deformation potentials of both {Delta} and L valleys are directly extracted using a strain tensor appropriate to the boundary conditions, i.e., confinement in the plane in the direction orthogonal to the straining direction, which correspond to those of strained CMOS in commercial applications. The experimentally determined deformation potentials match the theoretical predictions well. We predict electron mobility enhancement created by strain-induced CB modifications.

Band Jahn-Teller effect on the density of states of the magnetic high-Tc superconductors: A model study

International Nuclear Information System (INIS)

Pradhan, B.; Mohanta, K.L.; Rout, G.C.

2012-01-01

We report here a mean-field study of competing antiferromagnetism, superconductivity and lattice strain phases and their effect on the local density of states of the cuprate system. Our model Hamiltonian incorporating these interactions is reported earlier [G.C. Rout et al., Physica C, 2007]. The analytic expression for superconducting, antiferromagnetism and lattice strain order parameters are calculated and solved self-consistently. The interplay of these order parameters is investigated considering the calculated density of states (DOSs) of the conduction electrons. The DOS displays multiple gap structures with multiple peaks. It is suggested that the tunneling conductance data obtained from the scanning tunneling microscopy (STM) measurements could be interpreted by using the quasi-particle bands calculated from our model Hamiltonian. We have discussed the mechanism to calculate the order parameters from the conductance data.

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.

Projected Shell Model Description of Positive Parity Band of 130Pr Nucleus

Science.gov (United States)

Singh, Suram; Kumar, Amit; Singh, Dhanvir; Sharma, Chetan; Bharti, Arun; Bhat, G. H.; Sheikh, J. A.

2018-02-01

Theoretical investigation of positive parity yrast band of odd-odd 130Pr nucleus is performed by applying the projected shell model. The present study is undertaken to investigate and verify the very recently observed side band in 130Pr theoretically in terms of quasi-particle (qp) configuration. From the analysis of band diagram, the yrast as well as side band are found to arise from two-qp configuration πh 11/2 ⊗ νh 11/2. The present calculations are viewed to have qualitatively reproduced the known experimental data for yrast states, transition energies, and B( M1) / B( E2) ratios of this nucleus. The recently observed positive parity side band is also reproduced by the present calculations. The energy states of the side band are predicted up to spin 25+, which is far above the known experimental spin of 18+ and this could serve as a motivational factor for future experiments. In addition, the reduced transition probability B( E2) for interband transitions has also been calculated for the first time in projected shell model, which would serve as an encouragement for other research groups in the future.

Discovery of high-performance low-cost n-type Mg3Sb2-based thermoelectric materials with multi-valley conduction bands

DEFF Research Database (Denmark)

Zhang, Jiawei; Song, Lirong; Pedersen, Steffen Hindborg

2017-01-01

Widespread application of thermoelectric devices for waste heat recovery requires low-cost high-performance materials. The currently available n-type thermoelectric materials are limited either by their low efficiencies or by being based on expensive, scarce or toxic elements. Here we report a low-cost...... because of the multi-valley band behaviour dominated by a unique near-edge conduction band with a sixfold valley degeneracy. This makes Te-doped Mg3Sb1.5Bi0.5 a promising candidate for the low- and intermediate-temperature thermoelectric applications....

Valence and conduction band offsets of β-Ga2O3/AlN heterojunction

Science.gov (United States)

Sun, Haiding; Torres Castanedo, C. G.; Liu, Kaikai; Li, Kuang-Hui; Guo, Wenzhe; Lin, Ronghui; Liu, Xinwei; Li, Jingtao; Li, Xiaohang

2017-10-01

Both β-Ga2O3 and wurtzite AlN have wide bandgaps of 4.5-4.9 and 6.1 eV, respectively. We calculated the in-plane lattice mismatch between the (-201) plane of β-Ga2O3 and the (0002) plane of AlN, which was found to be 2.4%. This is the smallest mismatch between β-Ga2O3 and binary III-nitrides which is beneficial for the formation of a high quality β-Ga2O3/AlN heterojunction. However, the valence and conduction band offsets (VBO and CBO) at the β-Ga2O3/AlN heterojunction have not yet been identified. In this study, a very thin (less than 2 nm) β-Ga2O3 layer was deposited on an AlN/sapphire template to form the heterojunction by pulsed laser deposition. High-resolution X-ray photoelectron spectroscopy revealed the core-level (CL) binding energies of Ga 3d and Al 2p with respect to the valence band maximum in individual β-Ga2O3 and AlN layers, respectively. The separation between Ga 3d and Al 2p CLs at the β-Ga2O3/AlN interface was also measured. Eventually, the VBO was found to be -0.55 ± 0.05 eV. Consequently, a staggered-gap (type II) heterojunction with a CBO of -1.75 ± 0.05 eV was determined. The identification of the band alignment of the β-Ga2O3/AlN heterojunction could facilitate the design of optical and electronic devices based on these and related alloys.

Lithium-modulated conduction band edge shifts and charge-transfer dynamics in dye-sensitized solar cells based on a dicyanamide ionic liquid.

Science.gov (United States)

Bai, Yu; Zhang, Jing; Wang, Yinghui; Zhang, Min; Wang, Peng

2011-04-19

Lithium ions are known for their potent function in modulating the energy alignment at the oxide semiconductor/dye/electrolyte interface in dye-sensitized solar cells (DSCs), offering the opportunity to control the associated multichannel charge-transfer dynamics. Herein, by optimizing the lithium iodide content in 1-ethyl-3-methylimidazolium dicyanamide-based ionic liquid electrolytes, we present a solvent-free DSC displaying an impressive 8.4% efficiency at 100 mW cm(-2) AM1.5G conditions. We further scrutinize the origins of evident impacts of lithium ions upon current density-voltage characteristics as well as photocurrent action spectra of DSCs based thereon. It is found that, along with a gradual increase of the lithium content in ionic liquid electrolytes, a consecutive diminishment of the open-circuit photovoltage arises, primarily owing to a noticeable downward movement of the titania conduction band edge. The conduction band edge displacement away from vacuum also assists the formation of a more favorable energy offset at the titania/dye interface, and thereby leads to a faster electron injection rate and a higher exciton dissociation yield as implied by transient emission measurements. We also notice that the adverse influence of the titania conduction band edge downward shift arising from lithium addition upon photovoltage is partly compensated by a concomitant suppression of the triiodide involving interfacial charge recombination. © 2011 American Chemical Society

Accurate Energy Consumption Modeling of IEEE 802.15.4e TSCH Using Dual-BandOpenMote Hardware.

Science.gov (United States)

Daneels, Glenn; Municio, Esteban; Van de Velde, Bruno; Ergeerts, Glenn; Weyn, Maarten; Latré, Steven; Famaey, Jeroen

2018-02-02

The Time-Slotted Channel Hopping (TSCH) mode of the IEEE 802.15.4e amendment aims to improve reliability and energy efficiency in industrial and other challenging Internet-of-Things (IoT) environments. This paper presents an accurate and up-to-date energy consumption model for devices using this IEEE 802.15.4e TSCH mode. The model identifies all network-related CPU and radio state changes, thus providing a precise representation of the device behavior and an accurate prediction of its energy consumption. Moreover, energy measurements were performed with a dual-band OpenMote device, running the OpenWSN firmware. This allows the model to be used for devices using 2.4 GHz, as well as 868 MHz. Using these measurements, several network simulations were conducted to observe the TSCH energy consumption effects in end-to-end communication for both frequency bands. Experimental verification of the model shows that it accurately models the consumption for all possible packet sizes and that the calculated consumption on average differs less than 3% from the measured consumption. This deviation includes measurement inaccuracies and the variations of the guard time. As such, the proposed model is very suitable for accurate energy consumption modeling of TSCH networks.

Room temperature Compton profiles of conduction electrons in α-Ga ...

Indian Academy of Sciences (India)

Room temperature Compton profiles of momentum distribution of conduction electrons in -Ga metal are calculated in band model. For this purpose, the conduction electron wave functions are determined in a temperature-dependent non-local model potential. The profiles calculated along the crystallographic directions, ...

Conductivity-limiting bipolar thermal conductivity in semiconductors

Science.gov (United States)

Wang, Shanyu; Yang, Jiong; Toll, Trevor; Yang, Jihui; Zhang, Wenqing; Tang, Xinfeng

2015-01-01

Intriguing experimental results raised the question about the fundamental mechanisms governing the electron-hole coupling induced bipolar thermal conduction in semiconductors. Our combined theoretical analysis and experimental measurements show that in semiconductors bipolar thermal transport is in general a “conductivity-limiting” phenomenon, and it is thus controlled by the carrier mobility ratio and by the minority carrier partial electrical conductivity for the intrinsic and extrinsic cases, respectively. Our numerical method quantifies the role of electronic band structure and carrier scattering mechanisms. We have successfully demonstrated bipolar thermal conductivity reduction in doped semiconductors via electronic band structure modulation and/or preferential minority carrier scatterings. We expect this study to be beneficial to the current interests in optimizing thermoelectric properties of narrow gap semiconductors. PMID:25970560

Specific heat of MgB2 in a one- and a two-band model from first-principles calculations

International Nuclear Information System (INIS)

Golubov, A.A.; Dolgov, O.V.; Jepsen, O.; Kong, Y.; Andersen, O.K.; Gibson, B.J.; Ahn, K.; Kremer, R.K.; Kortus, J.

2002-01-01

The heat capacity anomaly at the transition to superconductivity of the layered superconductor MgB 2 is compared to first-principles calculations with the Coulomb repulsion, μ*, as the only parameter which is fixed to give the measured T c . We solve the Eliashberg equations for both an isotropic one-band model and a two-band model with different superconducting gaps on the π-band anσd-band Fermi surfaces. The agreement with experiments is considerably better for the two-band model than for the one-band model. (author)

Arbitrary Chern number generation in the three-band model from momentum space

International Nuclear Information System (INIS)

Lee, Soo-Yong; Go, Gyungchoon; Han, Jung Hoon; Park, Jin-Hong

2015-01-01

A simple, general rule for generating a three-band model with arbitrary Chern numbers is given. The rule is based on the idea of monopole charge-changing unitary operations and can be realized by two types of simple unitary operations on the original Hamiltonian. A pair of monopole charges are required to produce desired topological numbers in the three-band model. The set of rules presented here offers a way to produce lattice models of any desired Chern numbers for three-sublattice situations. (author)

Dual Band Magnonic Crystals: Model System and Basic Spin Wave Dynamics

Directory of Open Access Journals (Sweden)

Federico Montoncello

2016-01-01

Full Text Available We investigate a special design of two-dimensional magnonic crystal, consisting of two superimposed lattices with different lattice constants, such that spin waves (SWs can propagate either in one or the other sublattice, depending on which of the two frequency bands they belong to. The SW bands are separated by a very large bandgap (in our model system, 6 GHz, easily tunable by changing the direction of an applied magnetic field, and the overlap of their spatial distribution, for any frequency of their bands, is always negligible. These properties make the designed system an ideal test system for a magnonic dual band waveguide, where the simultaneous excitation and subsequent propagation of two independent SW signals are allowed, with no mutual interference.

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.

Valence and conduction band offsets of β-Ga2O3/AlN heterojunction

KAUST Repository

Sun, Haiding

2017-10-16

Both β-Ga2O3 and wurtzite AlN have wide bandgaps of 4.5–4.9 and 6.1 eV, respectively. We calculated the in-plane lattice mismatch between the (−201) plane of β-Ga2O3 and the (0002) plane of AlN, which was found to be 2.4%. This is the smallest mismatch between β-Ga2O3 and binary III-nitrides which is beneficial for the formation of a high quality β-Ga2O3/AlN heterojunction. However, the valence and conduction band offsets (VBO and CBO) at the β-Ga2O3/AlN heterojunction have not yet been identified. In this study, a very thin (less than 2 nm) β-Ga2O3 layer was deposited on an AlN/sapphire template to form the heterojunction by pulsed laser deposition. High-resolution X-ray photoelectron spectroscopy revealed the core-level (CL) binding energies of Ga 3d and Al 2p with respect to the valence band maximum in individual β-Ga2O3 and AlN layers, respectively. The separation between Ga 3d and Al 2p CLs at the β-Ga2O3/AlN interface was also measured. Eventually, the VBO was found to be −0.55 ± 0.05 eV. Consequently, a staggered-gap (type II) heterojunction with a CBO of −1.75 ± 0.05 eV was determined. The identification of the band alignment of the β-Ga2O3/AlN heterojunction could facilitate the design of optical and electronic devices based on these and related alloys.

Valence Band Structure of InAs1-xBix and InSb1-xBix Alloy Semiconductors Calculated Using Valence Band Anticrossing Model

Directory of Open Access Journals (Sweden)

D. P. Samajdar

2014-01-01

Full Text Available The valence band anticrossing model has been used to calculate the heavy/light hole and spin-orbit split-off energies in InAs1-xBix and InSb1-xBix alloy systems. It is found that both the heavy/light hole, and spin-orbit split E+ levels move upwards in energy with an increase in Bi content in the alloy, whereas the split E− energy for the holes shows a reverse trend. The model is also used to calculate the reduction of band gap energy with an increase in Bi mole fraction. The calculated values of band gap variation agree well with the available experimental data.

Influence of energy bands on the Hall effect in degenerate semiconductors

International Nuclear Information System (INIS)

Wu, Chhi-Chong; Tsai, Jensan

1989-01-01

The influence of energy bands on the Hall effect and transverse magnetoresistance has been investigated according to the scattering processes of carriers in degenerate semiconductors such as InSb. Results show that the Hall angle, Hall coefficient, and transverse magnetoresistance depend on the dc magnetic field for both parabolic and nonparabolic band structures of semiconductors and also depend on the scattering processes of carriers in semiconductors due to the energy-dependent relaxation time. From their numerical analysis for the Hall effect, it is shown that the conduction electrons in degenerate semiconductors play a major role for the carrier transport phenomenon. By comparing with experimental data of the transverse magnetoresistance, it shows that the nonparabolic band model is better in agreement with the experimental work than the parabolic band model of semiconductors

Magnetic field dependence of conductivity and effective mass of carriers in a model of Mott-Hubbard material

Directory of Open Access Journals (Sweden)

L.Didukh

2005-01-01

Full Text Available The effect of external magnetic field h on a static conductivity of Mott-Hubbard material which is described by the model with correlated hopping of electrons has been investigated. By means of canonical transformation, the effective Hamiltonian is obtained which takes into account strong intra-site Coulomb repulsion and correlated hopping. Using a variant of generalized Hartree-Fock approximation the single-electron Green function and quasiparticle energy spectrum of the model have been calculated. The static conductivity σ has been calculated as a function of h, electron concentration n and temperature T. The correlated hopping is shown to cause the electron-hole asymmetry of transport properties of narrow band materials.

Modeling cell elongation during germ band retraction: cell autonomy versus applied anisotropic stress

International Nuclear Information System (INIS)

Lynch, Holley E; Shane Hutson, M; Veldhuis, Jim; Wayne Brodland, G

2014-01-01

The morphogenetic process of germ band retraction in Drosophila embryos involves coordinated movements of two epithelial tissues—germ band and amnioserosa. The germ band shortens along its rostral–caudal or head-to-tail axis, widens along its perpendicular dorsal-ventral axis, and uncurls from an initial ‘U’ shape. The amnioserosa mechanically assists this process by pulling on the crook of the U-shaped germ band. The amnioserosa may also provide biochemical signals that drive germ band cells to change shape in a mechanically autonomous fashion. Here, we use a finite-element model to investigate how these two contributions reshape the germ band. We do so by modeling the response to laser-induced wounds in each of the germ band’s spatially distinct segments (T1–T3, A1–A9) during the middle of retraction when segments T1–A3 form the ventral arm of the ‘U’, A4–A7 form its crook, and A8–A9 complete the dorsal arm. We explore these responses under a range of externally applied stresses and internal anisotropy of cell edge tensions—akin to a planar cell polarity that can drive elongation of cells in a direction parallel to the minimum edge tension—and identify regions of parameter space (edge-tension anisotropy versus stress anisotropy) that best match previous experiments for each germ band segment. All but three germ band segments are best fit when the applied stress anisotropy and the edge-tension anisotropy work against one another—i.e., when the isolated effects would elongate cells in perpendicular directions. Segments in the crook of the germ band (A4–A7) have cells that elongate in the direction of maximum external stress, i.e., external stress anisotropy is dominant. In most other segments, the dominant factor is internal edge-tension anisotropy. These results are consistent with models in which the amnioserosa pulls on the crook of the germ band to mechanically assist retraction. In addition, they suggest a mechanical cue for

Channel Model on Various Frequency Bands for Wearable Body Area Network

Science.gov (United States)

Katayama, Norihiko; Takizawa, Kenichi; Aoyagi, Takahiro; Takada, Jun-Ichi; Li, Huan-Bang; Kohno, Ryuji

Body Area Network (BAN) is considered as a promising technology in supporting medical and healthcare services by combining with various biological sensors. In this paper, we look at wearable BAN, which provides communication links among sensors on body surface. In order to design a BAN that manages biological information with high efficiency and high reliability, the propagation characteristics of BAN must be thoroughly investigated. As a preliminary effort, we measured the propagation characteristics of BAN at frequency bands of 400MHz, 600MHz, 900MHz and 2400MHz respectively. Channel models for wearable BAN based on the measurement were derived. Our results show that the channel model can be described by using a path loss model for all frequency bands investigated.

Band Jahn-Teller effect on the density of states of the magnetic high-T{sub c} superconductors: A model study

Energy Technology Data Exchange (ETDEWEB)

Pradhan, B. [Department of Physics, Govt. Science College, Malkangiri 764 048 (India); Mohanta, K.L. [Department of Physics, ITER, Siksha ' O' Anusandhan University, Bhubaneswar 751 030 (India); Rout, G.C., E-mail: gcr@iopb.res.in [Condensed Matter Physics Group, Dept. of Applied Physics and Ballistics, F.M. University, Balasore 756 019 (India)

2012-05-15

We report here a mean-field study of competing antiferromagnetism, superconductivity and lattice strain phases and their effect on the local density of states of the cuprate system. Our model Hamiltonian incorporating these interactions is reported earlier [G.C. Rout et al., Physica C, 2007]. The analytic expression for superconducting, antiferromagnetism and lattice strain order parameters are calculated and solved self-consistently. The interplay of these order parameters is investigated considering the calculated density of states (DOSs) of the conduction electrons. The DOS displays multiple gap structures with multiple peaks. It is suggested that the tunneling conductance data obtained from the scanning tunneling microscopy (STM) measurements could be interpreted by using the quasi-particle bands calculated from our model Hamiltonian. We have discussed the mechanism to calculate the order parameters from the conductance data.

Energetics of discrete selectivity bands and mutation-induced transitions in the calcium-sodium ion channels family.

Science.gov (United States)

Kaufman, I; Luchinsky, D G; Tindjong, R; McClintock, P V E; Eisenberg, R S

2013-11-01

We use Brownian dynamics (BD) simulations to study the ionic conduction and valence selectivity of a generic electrostatic model of a biological ion channel as functions of the fixed charge Q(f) at its selectivity filter. We are thus able to reconcile the discrete calcium conduction bands recently revealed in our BD simulations, M0 (Q(f)=1e), M1 (3e), M2 (5e), with a set of sodium conduction bands L0 (0.5e), L1 (1.5e), thereby obtaining a completed pattern of conduction and selectivity bands vs Q(f) for the sodium-calcium channels family. An increase of Q(f) leads to an increase of calcium selectivity: L0 (sodium-selective, nonblocking channel) → M0 (nonselective channel) → L1 (sodium-selective channel with divalent block) → M1 (calcium-selective channel exhibiting the anomalous mole fraction effect). We create a consistent identification scheme where the L0 band is putatively identified with the eukaryotic sodium channel The scheme created is able to account for the experimentally observed mutation-induced transformations between nonselective channels, sodium-selective channels, and calcium-selective channels, which we interpret as transitions between different rows of the identification table. By considering the potential energy changes during permeation, we show explicitly that the multi-ion conduction bands of calcium and sodium channels arise as the result of resonant barrierless conduction. The pattern of periodic conduction bands is explained on the basis of sequential neutralization taking account of self-energy, as Q(f)(z,i)=ze(1/2+i), where i is the order of the band and z is the valence of the ion. Our results confirm the crucial influence of electrostatic interactions on conduction and on the Ca(2+)/Na(+) valence selectivity of calcium and sodium ion channels. The model and results could be also applicable to biomimetic nanopores with charged walls.

Two-band model with off-diagonal occupation dependent hopping rate

International Nuclear Information System (INIS)

Zawadowski, A.

1989-01-01

In this paper two-band hopping model is treated on a two-dimensional square lattice. The atoms are located at the corners and the middles of the edges of the squares. In addition to the strongly overlapping orbitals of the atoms, there are extra orbitals at the corners, which are weakly hybridized. The assumption is made that the Fermi level is inside the broad band and is every near to the narrow band formed by the extra orbitals. The hamiltonian is Hubbard type, but the off-diagonal part of the two-site interaction t is kept also where one creation or annihilation operator acts on the extra orbital and the others on one of its neighbors. The weak coupling t is enhanced by the on-site Coulomb repulsion at the corners, which enhancement is a power function of the ratio of the broad band width and the narrow bank position measured from the Fermi level. That enhancement is obtained by summation of logarithmic Kondo-type corrections of orbital origin, which reflects the formation of a ground state of new type with strong orbital and spin correlations. Interaction between the particles of the broad band is generated by processes with one heavy and one light particle in the intermediate state

Valence and conduction band offsets at low-k a-SiO{sub x}C{sub y}:H/a-SiC{sub x}N{sub y}:H interfaces

Energy Technology Data Exchange (ETDEWEB)

King, Sean W., E-mail: sean.king@intel.com; Brockman, Justin; French, Marc; Jaehnig, Milt; Kuhn, Markus [Logic Technology Development, Intel Corporation, Hillsboro, Oregon 97124 (United States); French, Benjamin [Ocotillo Materials Laboratory, Intel Corporation, Chandler, Arizona 85248 (United States)

2014-09-21

In order to understand the fundamental electrical leakage and reliability failure mechanisms in nano-electronic low-k dielectric/metal interconnect structures, we have utilized x-ray photoelectron spectroscopy and reflection electron energy loss spectroscopy to determine the valence and conduction band offsets present at interfaces between non-porous and porous low-k a-SiO{sub x}C{sub y}:H interlayer dielectrics and a-SiC{sub x}N{sub y}:H metal capping layers. The valence band offset for such interfaces was determined to be 2.7±0.2 eV and weakly dependent on the a-SiOC:H porosity. The corresponding conduction band offset was determined to be 2.1±0.2 eV. The large band offsets indicate that intra metal layer leakage is likely dominated by defects and trap states in the a-SiOC:H and a-SiCN:H dielectrics.

Mathematical Modeling of Dielectric Characteristics of the Metallic Band Inclusion Composite

Directory of Open Access Journals (Sweden)

V. S. Zarubin

2015-01-01

Full Text Available Among the desirable properties of functional materials used in various electrical and radio physical equipment and devices, dielectric characteristics, including relative permittivity (hereinafter, permittivity are of importance. The permittivity requirements can be met when a composite with a particular combination of its matrix characteristics and inclusions [1, 2, 3] is used as a functional material. The use of metallic inclusions extends a variation range of dielectric characteristics of the composite, and thereby enhances its application. The composite structure, form of inclusions, and their volume concentration has a significant impact on the permittivity.One of the composite structure embodiments is a dispersion system when in the dispersion medium (in this case | in the composite matrix a dispersed phase (inclusions with highly extended interface between them [4] is distributed. There can be various forms of dispersed inclusions. Band is one of the possible forms of inclusion when its dimensions in three orthogonal directions are significantly different among themselves. For such inclusion, a tri-axial ellipsoid can be taken as an acceptable geometric model to describe its form. This model can be used, in particular, to describe the form of nanostructured elements, which recently are considered as inclusions for advanced composites for various purposes [5].With raising volume concentration of metal inclusions in the dielectric matrix composite there is an increasing probability of direct contact between the inclusions resulting in continuous conductive cluster [3, 6]. In this paper, it is assumed that metal band inclusions are covered with a sufficiently thin layer of the electrically insulating material, eliminating the possibility of direct contact and precluding consideration of the so-called percolation effect [2, 7] in the entire interval of the expectedly changing volume concentration of electrically ellipsoidal inclusions. The

Theory of conductivity of chiral particles

International Nuclear Information System (INIS)

Kailasvuori, Janik; Šopík, Břetislav; Trushin, Maxim

2013-01-01

In this methodology focused paper we scrutinize the application of the band-coherent Boltzmann equation approach to calculating the conductivity of chiral particles. As the ideal testing ground we use the two-band kinetic Hamiltonian with an N-fold chiral twist that arises in a low-energy description of charge carriers in rhombohedrally stacked multilayer graphene. To understand the role of chirality in the conductivity of such particles we also consider the artificial model with the chiral winding number decoupled from the power of the dispersion. We first utilize the approximate but analytically solvable band-coherent Boltzmann approach including the ill-understood principal value terms that are a byproduct of several quantum many-body theory derivations of Boltzmann collision integrals. Further on, we employ the finite-size Kubo formula with the exact diagonalization of the total Hamiltonian perturbed by disorder. Finally, we compare several choices of Ansatz in the derivation of the Boltzmann equation according to the qualitative agreement between the Boltzmann and Kubo conductivities. We find that the best agreement can be reached in the approach where the principal value terms in the collision integral are absent. (paper)

Hetero-gate-dielectric double gate junctionless transistor (HGJLT) with reduced band-to-band tunnelling effects in subthreshold regime

International Nuclear Information System (INIS)

Ghosh, Bahniman; Mondal, Partha; Akram, M. W.; Bal, Punyasloka; Salimath, Akshay Kumar

2014-01-01

We propose a hetero-gate-dielectric double gate junctionless transistor (HGJLT), taking high-k gate insulator at source side and low-k gate insulator at drain side, which reduces the effects of band-to-band tunnelling (BTBT) in the sub-threshold region. A junctionless transistor (JLT) is turned off by the depletion of carriers in the highly doped thin channel (device layer) which results in a significant band overlap between the valence band of the channel region and the conduction band of the drain region, due to off-state drain bias, that triggers electrons to tunnel from the valence band of the channel region to the conduction band of the drain region leaving behind holes in the channel. These effects of band-to-band tunnelling increase the sub-threshold leakage current, and the accumulation of holes in the channel forms a parasitic bipolar junction transistor (n–p–n BJT for channel JLT) in the lateral direction by the source (emitter), channel (base) and drain (collector) regions in JLT structure in off-state. The proposed HGJLT reduces the subthreshold leakage current and suppresses the parasitic BJT action in off-state by reducing the band-to-band tunnelling probability. (semiconductor devices)

Conductivity and transport studies of plasticized chitosan-based proton conducting biopolymer electrolytes

Science.gov (United States)

Shukur, M. F.; Yusof, Y. M.; Zawawi, S. M. M.; Illias, H. A.; Kadir, M. F. Z.

2013-11-01

This paper focuses on the conductivity and transport properties of chitosan-based solid biopolymer electrolytes containing ammonium thiocyanate (NH4SCN). The sample containing 40 wt% NH4SCN exhibited the highest conductivity value of (1.81 ± 0.50) × 10-4 S cm-1 at room temperature. Conductivity has increased to (1.51 ± 0.12) × 10-3 S cm-1 with the addition of 25 wt% glycerol. The temperature dependence of conductivity for both salted and plasticized systems obeyed the Arrhenius rule. The activation energy (Ea) was calculated for both systems and it is found that the sample with 40 wt% NH4SCN in the salted system obtained an Ea value of 0.148 eV and that for the sample containing 25 wt% glycerol in the plasticized system is 0.139 eV. From the Fourier transform infrared studies, carboxamide and amine bands shifted to lower wavenumbers, indicating that chitosan has interacted with NH4SCN salt. Changes in the C-O stretching vibration band intensity are observed at 1067 cm-1 with the addition of glycerol. The Rice and Roth model was used to explain the transport properties of the salted and plasticized systems.

Band Offsets at the Interface between Crystalline and Amorphous Silicon from First Principles

Science.gov (United States)

Jarolimek, K.; Hazrati, E.; de Groot, R. A.; de Wijs, G. A.

2017-07-01

The band offsets between crystalline and hydrogenated amorphous silicon (a -Si ∶H ) are key parameters governing the charge transport in modern silicon heterojunction solar cells. They are an important input for macroscopic simulators that are used to further optimize the solar cell. Past experimental studies, using x-ray photoelectron spectroscopy (XPS) and capacitance-voltage measurements, have yielded conflicting results on the band offset. Here, we present a computational study on the band offsets. It is based on atomistic models and density-functional theory (DFT). The amorphous part of the interface is obtained by relatively long DFT first-principles molecular-dynamics runs at an elevated temperature on 30 statistically independent samples. In order to obtain a realistic conduction-band position the electronic structure of the interface is calculated with a hybrid functional. We find a slight asymmetry in the band offsets, where the offset in the valence band (0.29 eV) is larger than in the conduction band (0.17 eV). Our results are in agreement with the latest XPS measurements that report a valence-band offset of 0.3 eV [M. Liebhaber et al., Appl. Phys. Lett. 106, 031601 (2015), 10.1063/1.4906195].

Thermal evolution of the band edges of 6H-SiC: X-ray methods compared to the optical band gap

International Nuclear Information System (INIS)

Miedema, P.S.; Beye, M.; Könnecke, R.; Schiwietz, G.; Föhlisch, A.

2014-01-01

Highlights: • Conduction band minima (CBM) of 6H-SiC are estimated with Si 2p XAS. • Valence band maxima (VBM) of 6H-SiC are estimated with non-resonant Si 2p XES. • Temperature-dependent VBM and CBM of 6H-SiC show asymmetric band gap closing. • XAS, XES and RIXS band gap estimates are compared with the optical band gap. • XAS + XES versus optical band gap provides core-excitonic screening energies. - Abstract: The band gap of semiconductors like silicon and silicon carbide (SiC) is the key for their device properties. In this research, the band gap of 6H-SiC and its temperature dependence were analyzed with silicon 2p X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS) allowing for a separate analysis of the conduction-band minimum (CBM) and valence-band maximum (VBM) components of the band gap. The temperature-dependent asymmetric band gap shrinking of 6H-SiC was determined with a valence-band slope of +2.45 × 10 −4 eV/K and a conduction-band slope of −1.334 × 10 −4 eV/K. The apparent asymmetry, e.g., that two thirds of the band-gap shrinking with increasing temperature is due to the VBM evolution in 6H-SiC, is similar to the asymmetry obtained for pure silicon before. The overall band gap temperature-dependence determined with XAS and non-resonant XES is compared to temperature-dependent optical studies. The core-excitonic binding energy appearing in the Si 2p XAS is extracted as the main difference. In addition, the energy loss of the onset of the first band in RIXS yields to values similar to the optical band gap over the tested temperature range

A Continuum Damage Mechanics Model to Predict Kink-Band Propagation Using Deformation Gradient Tensor Decomposition

Science.gov (United States)

Bergan, Andrew C.; Leone, Frank A., Jr.

2016-01-01

A new model is proposed that represents the kinematics of kink-band formation and propagation within the framework of a mesoscale continuum damage mechanics (CDM) model. The model uses the recently proposed deformation gradient decomposition approach to represent a kink band as a displacement jump via a cohesive interface that is embedded in an elastic bulk material. The model is capable of representing the combination of matrix failure in the frame of a misaligned fiber and instability due to shear nonlinearity. In contrast to conventional linear or bilinear strain softening laws used in most mesoscale CDM models for longitudinal compression, the constitutive response of the proposed model includes features predicted by detailed micromechanical models. These features include: 1) the rotational kinematics of the kink band, 2) an instability when the peak load is reached, and 3) a nonzero plateau stress under large strains.

Summary and Analysis of the U.S. Government Bat Banding Program

Science.gov (United States)

Ellison, Laura E.

2008-01-01

This report summarizes the U.S. Government Bat Banding Program (BBP) from 1932 to 1972. More than 2 million bands were issued during the program, of which approximately 1.5 million bands were applied to 36 bat species by scientists in many locations in North America including the U.S., Canada, Mexico, and Central America. Throughout the BBP, banders noticed numerous and deleterious effects on bats, leading to a moratorium on bat banding by the U.S. Fish and Wildlife Service, and a resolution to cease banding by the American Society of Mammalogists in 1973. One of the main points of the memorandum written to justify the moratorium was to conduct a 'detailed evaluation of the files of the bat-banding program.' However, a critical and detailed evaluation of the BBP was never completed. In an effort to satisfy this need, I compiled a detailed history of the BBP by examining the files and conducting a literature review on bat banding activities during the program. I also provided a case study in managing data and applying current mark-recapture theory to estimate survival using the information from a series of bat bands issued to Clyde M. Senger during the BBP. The majority of bands applied by Senger were to Townsend's big-eared bat (Corynorhinus townsendii), a species of special concern for many states within its geographic range. I developed a database management system for the bat banding records and then analyzed and modeled survival of hibernating Townsend's big-eared bats at three main locations in Washington State using Cormack-Jolly-Seber (CJS) open models and the modeling capabilities of Program MARK. This analysis of a select dataset in the BBP files provided relatively precise estimates of survival for wintering Townsend's big-eared bats. However, this dataset is unique due to its well-maintained and complete state and because there were high recapture rates over the course of banding; it is doubtful that other unpublished datasets of the same quality exist

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.

Valence band structure of InAs(1-x)Bi(x) and InSb(1-x)Bi(x) alloy semiconductors calculated using valence band anticrossing model.

Science.gov (United States)

Samajdar, D P; Dhar, S

2014-01-01

The valence band anticrossing model has been used to calculate the heavy/light hole and spin-orbit split-off energies in InAs(1-x)Bi(x) and InSb(1-x)Bi(x) alloy systems. It is found that both the heavy/light hole, and spin-orbit split E + levels move upwards in energy with an increase in Bi content in the alloy, whereas the split E - energy for the holes shows a reverse trend. The model is also used to calculate the reduction of band gap energy with an increase in Bi mole fraction. The calculated values of band gap variation agree well with the available experimental data.

Conductivity and superconductivity in heavily vacant diamond

Directory of Open Access Journals (Sweden)

S A Jafari

2009-08-01

Full Text Available   Motivated by the idea of impurity band superconductivity in heavily Boron doped diamond, we investigate the doping of various elements into diamond to address the question, which impurity band can offer a better DOS at the Fermi level. Surprisingly, we find that the vacancy does the best job in producing the largest DOS at the Fermi surface. To investigate the effect of disorder in Anderson localization of the resulting impurity band, we use a simple tight-binding model. Our preliminary study based on the kernel polynomial method shows that the impurity band is already localized at the concentration of 10-3. Around the vacancy concentration of 0.006 the whole spectrum of diamond becomes localized and quantum percolation takes place. Therefore to achieve conducting bands at concentrations on the scale of 5-10 percent, one needs to introduce correlations such as hopping among the vacancies .

Physical properties and analytical models of band-to-band tunneling in low-bandgap semiconductors

International Nuclear Information System (INIS)

Shih, Chun-Hsing; Dang Chien, Nguyen

2014-01-01

Low-bandgap semiconductors, such as InAs and InSb, are widely considered to be ideal for use in tunnel field-effect transistors to ensure sufficient on-current boosting at low voltages. This work elucidates the physical and mathematical considerations of applying conventional band-to-band tunneling models in low-bandgap semiconductors, and presents a new analytical alternative for practical use. The high-bandgap tunneling generates most at maximum field region with shortest tunnel path, whereas the low-bandgap generations occur dispersedly because of narrow tunnel barrier. The local electrical field associated with tunneling-electron numbers dominates in low-bandgap materials. This work proposes decoupled electric-field terms in the pre-exponential factor and exponential function of generation-rate expressions. Without fitting, the analytical results and approximated forms exhibit great agreements with the sophisticated forms both in high- and low-bandgap semiconductors. Neither nonlocal nor local field is appropriate to be used in numerical simulations for predicting the tunneling generations in a variety of low- and high-bandgap semiconductors

Temperature dependence of the optical conductivity and penetration depth in superconductor MgB2 film

International Nuclear Information System (INIS)

Moarrefi, M.; Yavari, H.; Elahi, M.

2010-01-01

By using Green's function method the temperature dependence of the optical conductivity and penetration depth of high-quality MgB 2 film are calculated in the framework of the two-band model. We compare our results with experimental data and we argue that the single gap model is insufficient to describe the optical and penetration depth behavior, but the two-band model with different symmetries describes the data rather well. In the two gap model we consider that the both components of optical conductivity are a weighted sum of the contribution from σ and π bonds and hybridization between them is negligible.

A mathematical model for the deformation of the eyeball by an elastic band.

Science.gov (United States)

Keeling, Stephen L; Propst, Georg; Stadler, Georg; Wackernagel, Werner

2009-06-01

In a certain kind of eye surgery, the human eyeball is deformed sustainably by the application of an elastic band. This article presents a mathematical model for the mechanics of the combined eye/band structure along with an algorithm to compute the model solutions. These predict the immediate and the lasting indentation of the eyeball. The model is derived from basic physical principles by minimizing a potential energy subject to a volume constraint. Assuming spherical symmetry, this leads to a two-point boundary-value problem for a non-linear second-order ordinary differential equation that describes the minimizing static equilibrium. By comparison with laboratory data, a preliminary validation of the model is given.

Optimizing a gap conductance model applicable to VVER-1000 thermal–hydraulic model

International Nuclear Information System (INIS)

Rahgoshay, M.; Hashemi-Tilehnoee, M.

2012-01-01

Highlights: ► Two known conductance models for application in VVER-1000 thermal–hydraulic code are examined. ► An optimized gap conductance model is developed which can predict the gap conductance in good agreement with FSAR data. ► The licensed thermal–hydraulic code is coupled with the gap conductance model predictor externally. -- Abstract: The modeling of gap conductance for application in VVER-1000 thermal–hydraulic codes is addressed. Two known models, namely CALZA-BINI and RELAP5 gap conductance models, are examined. By externally linking of gap conductance models and COBRA-EN thermal hydraulic code, the acceptable range of each model is specified. The result of each gap conductance model versus linear heat rate has been compared with FSAR data. A linear heat rate of about 9 kW/m is the boundary for optimization process. Since each gap conductance model has its advantages and limitation, the optimized gap conductance model can predict the gap conductance better than each of the two other models individually.

k-dependent spectrum and optical conductivity near metal-insulator transition in multi-orbital hubbard bands

International Nuclear Information System (INIS)

Miura, Oki; Fujiwara, Takeo

2006-01-01

We apply the dynamical mean field theory (DMFT) combined with the iterative perturbation theory (IPT) to the doubly degenerate e g and the triply degenerate f 2g bands on a simple cubic lattice and a body-centered cubic lattice and calculate the spectrum and optical conductivity in arbitrary electron occupation. The spectrum simultaneously shows the effects of multiplet structure together with the electron ionization and affinity levels of different electron occupations, coherent peaks at the Fermi energy in the metallic phase and an energy gap at an integer filling of electrons for sufficiently large Coulomb U. We also discuss the critical value of the Coulomb U for degenerate orbitals on a simple cubic lattice and a body-centered cubic lattice. (author)

Modeling and experimental studies of a side band power re-injection locked magnetron

Science.gov (United States)

Ye, Wen-Jun; Zhang, Yi; Yuan, Ping; Zhu, Hua-Cheng; Huang, Ka-Ma; Yang, Yang

2016-12-01

A side band power re-injection locked (SBPRIL) magnetron is presented in this paper. A tuning stub is placed between the external injection locked (EIL) magnetron and the circulator. Side band power of the EIL magnetron is reflected back to the magnetron. The reflected side band power is reused and pulled back to the central frequency. A phase-locking model is developed from circuit theory to explain the process of reuse of side band power in SBPRIL magnetron. Theoretical analysis proves that the side band power is pulled back to the central frequency of the SBPRIL magnetron, then the amplitude of the RF voltage increases and the phase noise performance is improved. Particle-in-cell (PIC) simulation of a 10-vane continuous wave (CW) magnetron model is presented. Computer simulation predicts that the frequency spectrum’s peak of the SBPRIL magnetron has an increase of 3.25 dB compared with the free running magnetron. The phase noise performance at the side band offset reduces 12.05 dB for the SBPRIL magnetron. Besides, the SBPRIL magnetron experiment is presented. Experimental results show that the spectrum peak rises by 14.29% for SBPRIL magnetron compared with the free running magnetron. The phase noise reduces more than 25 dB at 45-kHz offset compared with the free running magnetron. Project supported by the National Basic Research Program of China (Grant No. 2013CB328902) and the National Natural Science Foundation of China (Grant No. 61501311).

Universality for 1d Random Band Matrices: Sigma-Model Approximation

Science.gov (United States)

Shcherbina, Mariya; Shcherbina, Tatyana

2018-02-01

The paper continues the development of the rigorous supersymmetric transfer matrix approach to the random band matrices started in (J Stat Phys 164:1233-1260, 2016; Commun Math Phys 351:1009-1044, 2017). We consider random Hermitian block band matrices consisting of W× W random Gaussian blocks (parametrized by j,k \\in Λ =[1,n]^d\\cap Z^d ) with a fixed entry's variance J_{jk}=δ _{j,k}W^{-1}+β Δ _{j,k}W^{-2} , β >0 in each block. Taking the limit W→ ∞ with fixed n and β , we derive the sigma-model approximation of the second correlation function similar to Efetov's one. Then, considering the limit β , n→ ∞, we prove that in the dimension d=1 the behaviour of the sigma-model approximation in the bulk of the spectrum, as β ≫ n , is determined by the classical Wigner-Dyson statistics.

Conductivity and transport studies of plasticized chitosan-based proton conducting biopolymer electrolytes

International Nuclear Information System (INIS)

Shukur, M F; Yusof, Y M; Zawawi, S M M; Illias, H A; Kadir, M F Z

2013-01-01

This paper focuses on the conductivity and transport properties of chitosan-based solid biopolymer electrolytes containing ammonium thiocyanate (NH 4 SCN). The sample containing 40 wt% NH 4 SCN exhibited the highest conductivity value of (1.81 ± 0.50) × 10 −4  S cm −1 at room temperature. Conductivity has increased to (1.51 ± 0.12) × 10 −3  S cm −1 with the addition of 25 wt% glycerol. The temperature dependence of conductivity for both salted and plasticized systems obeyed the Arrhenius rule. The activation energy (E a ) was calculated for both systems and it is found that the sample with 40 wt% NH 4 SCN in the salted system obtained an E a value of 0.148 eV and that for the sample containing 25 wt% glycerol in the plasticized system is 0.139 eV. From the Fourier transform infrared studies, carboxamide and amine bands shifted to lower wavenumbers, indicating that chitosan has interacted with NH 4 SCN salt. Changes in the C–O stretching vibration band intensity are observed at 1067 cm −1 with the addition of glycerol. The Rice and Roth model was used to explain the transport properties of the salted and plasticized systems. (paper)

Valence Band Structure of InAs1−xBix and InSb1−xBix Alloy Semiconductors Calculated Using Valence Band Anticrossing Model

Science.gov (United States)

Samajdar, D. P.; Dhar, S.

2014-01-01

The valence band anticrossing model has been used to calculate the heavy/light hole and spin-orbit split-off energies in InAs1−xBix and InSb1−xBix alloy systems. It is found that both the heavy/light hole, and spin-orbit split E + levels move upwards in energy with an increase in Bi content in the alloy, whereas the split E − energy for the holes shows a reverse trend. The model is also used to calculate the reduction of band gap energy with an increase in Bi mole fraction. The calculated values of band gap variation agree well with the available experimental data. PMID:24592181

Monte Carlo study of superconductivity in the three-band Emery model

International Nuclear Information System (INIS)

Frick, M.; Pattnaik, P.C.; Morgenstern, I.; Newns, D.M.; von der Linden, W.

1990-01-01

We have examined the three-band Hubbard model for the copper oxide planes in high-temperature superconductors using the projector quantum Monte Carlo method. We find no evidence for s-wave superconductivity

Computational Design of Flat-Band Material

Science.gov (United States)

Hase, I.; Yanagisawa, T.; Kawashima, K.

2018-02-01

Quantum mechanics states that hopping integral between local orbitals makes the energy band dispersive. However, in some special cases, there are bands with no dispersion due to quantum interference. These bands are called as flat band. Many models having flat band have been proposed, and many interesting physical properties are predicted. However, no real compound having flat band has been found yet despite the 25 years of vigorous researches. We have found that some pyrochlore oxides have quasi-flat band just below the Fermi level by first principles calculation. Moreover, their valence bands are well described by a tight-binding model of pyrochlore lattice with isotropic nearest neighbor hopping integral. This model belongs to a class of Mielke model, whose ground state is known to be ferromagnetic with appropriate carrier doping and on-site repulsive Coulomb interaction. We have also performed a spin-polarized band calculation for the hole-doped system from first principles and found that the ground state is ferromagnetic for some doping region. Interestingly, these compounds do not include magnetic element, such as transition metal and rare-earth elements.

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...

Model of coupled bands in even-even nuclei

Energy Technology Data Exchange (ETDEWEB)

Nadzhakov, E G; Nozharov, R M; Myankova, G Z; Antonova, V A [Bylgarska Akademiya na Naukite, Sofia. Inst. za Yadrena Izsledvaniya i Yadrena Energetika

1979-01-01

The model is derived in a natural way from the theory of coupled modes. It is based on an expansion of the Hamiltonian in terms of elementary transition operators, including direct rotation-vibration coupling with phonons. The treatment is limited to three types of phonons: ( I = K = 0), S (I = K = 1) and (I = K = 2). The basis of the operators, acting on the ground state is truncated by an inclusion of a reasonable number of phonon states. In the framework of this approximation one may evaluate the matrix elements of the model Hamiltonian and diagonalize it by standard numerical methods to fit the experimental spectrum. The well known picture of band hybridization is obtained as a special case of the model under consideration.

Pseudo SU(3) shell model: Normal parity bands in odd-mass nuclei

International Nuclear Information System (INIS)

Vargas, C.E.; Hirsch, J.G.; Draayer, J.P.

2000-01-01

A pseudo shell SU(3) model description of normal parity bands in 159 Tb is presented. The Hamiltonian includes spherical Nilsson single-particle energies, the quadrupole-quadrupole and pairing interactions, as well as three rotor terms. A systematic parametrization is introduced, accompanied by a detailed discussion of the effect each term in the Hamiltonian has on the energy spectrum. Yrast and excited band wavefunctions are analyzed together with their B(E2) values

High-Strain Rate Failure Modeling Incorporating Shear Banding and Fracture

Science.gov (United States)

2017-11-22

High Strain Rate Failure Modeling Incorporating Shear Banding and Fracture The views, opinions and/or findings contained in this report are those of...SECURITY CLASSIFICATION OF: 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE 13. SUPPLEMENTARY NOTES 12. DISTRIBUTION AVAILIBILITY STATEMENT 6. AUTHORS...Report as of 05-Dec-2017 Agreement Number: W911NF-13-1-0238 Organization: Columbia University Title: High Strain Rate Failure Modeling Incorporating

Universal conductance and conductivity at critical points in integer quantum Hall systems.

Science.gov (United States)

Schweitzer, L; Markos, P

2005-12-16

The sample averaged longitudinal two-terminal conductance and the respective Kubo conductivity are calculated at quantum critical points in the integer quantum Hall regime. In the limit of large system size, both transport quantities are found to be the same within numerical uncertainty in the lowest Landau band, and , respectively. In the second-lowest Landau band, a critical conductance is obtained which indeed supports the notion of universality. However, these numbers are significantly at variance with the hitherto commonly believed value . We argue that this difference is due to the multifractal structure of critical wave functions, a property that should generically show up in the conductance at quantum critical points.

Intensity profiles of superdeformed bands in Pb isotopes in a two-level mixing model

International Nuclear Information System (INIS)

Wilson, A. N.; Szigeti, S. S.; Rogers, J. I.; Davidson, P. M.; Cardamone, D. M.

2009-01-01

A recently developed two-level mixing model of the decay out of superdeformed bands is applied to examine the loss of flux from the yrast superdeformed bands in 192 Pb, 194 Pb, and 196 Pb. Probability distributions for decay to states at normal deformations are calculated at each level. The sensitivity of the results to parameters describing the levels at normal deformation and their coupling to levels in the superdeformed well is explored. It is found that except for narrow ranges of the interaction strength coupling the states, the amount of intensity lost is primarily determined by the ratio of γ decay widths in the normal and superdeformed wells. It is also found that while the model can accommodate the observed fractional intensity loss profiles for decay from bands at relatively high excitation, it cannot accommodate the similarly abrupt decay from bands at lower energies if standard estimates of the properties of the states in the first minimum are employed

L-band brightness temperature disaggregation for use with S-band and C-band radiometer data for WCOM

Science.gov (United States)

Yao, P.; Shi, J.; Zhao, T.; Cosh, M. H.; Bindlish, R.

2017-12-01

There are two passive microwave sensors onboard the Water Cycle Observation Mission (WCOM), which includes a synthetic aperture radiometer operating at L-S-C bands and a scanning microwave radiometer operating from C- to W-bands. It provides a unique opportunity to disaggregate L-band brightness temperature (soil moisture) with S-band C-bands radiometer data. In this study, passive-only downscaling methodologies are developed and evaluated. Based on the radiative transfer modeling, it was found that the TBs (brightness temperature) between the L-band and S-band exhibit a linear relationship, and there is an exponential relationship between L-band and C-band. We carried out the downscaling results by two methods: (1) downscaling with L-S-C band passive measurements with the same incidence angle from payload IMI; (2) downscaling with L-C band passive measurements with different incidence angle from payloads IMI and PMI. The downscaling method with L-S bands with the same incident angle was first evaluated using SMEX02 data. The RMSE are 2.69 K and 1.52 K for H and V polarization respectively. The downscaling method with L-C bands is developed with different incident angles using SMEX03 data. The RMSE are 2.97 K and 2.68 K for H and V polarization respectively. These results showed that high-resolution L-band brightness temperature and soil moisture products could be generated from the future WCOM passive-only observations.

Thermal conductivity model for nanofiber networks

Science.gov (United States)

Zhao, Xinpeng; Huang, Congliang; Liu, Qingkun; Smalyukh, Ivan I.; Yang, Ronggui

2018-02-01

Understanding thermal transport in nanofiber networks is essential for their applications in thermal management, which are used extensively as mechanically sturdy thermal insulation or high thermal conductivity materials. In this study, using the statistical theory and Fourier's law of heat conduction while accounting for both the inter-fiber contact thermal resistance and the intrinsic thermal resistance of nanofibers, an analytical model is developed to predict the thermal conductivity of nanofiber networks as a function of their geometric and thermal properties. A scaling relation between the thermal conductivity and the geometric properties including volume fraction and nanofiber length of the network is revealed. This model agrees well with both numerical simulations and experimental measurements found in the literature. This model may prove useful in analyzing the experimental results and designing nanofiber networks for both high and low thermal conductivity applications.

Thermal conductivity model for nanofiber networks

Energy Technology Data Exchange (ETDEWEB)

Zhao, Xinpeng [Department of Mechanical Engineering, University of Colorado, Boulder, Colorado 80309, USA; Huang, Congliang [Department of Mechanical Engineering, University of Colorado, Boulder, Colorado 80309, USA; School of Electrical and Power Engineering, China University of Mining and Technology, Xuzhou 221116, China; Liu, Qingkun [Department of Physics, University of Colorado, Boulder, Colorado 80309, USA; Smalyukh, Ivan I. [Department of Physics, University of Colorado, Boulder, Colorado 80309, USA; Materials Science and Engineering Program, University of Colorado, Boulder, Colorado 80309, USA; Yang, Ronggui [Department of Mechanical Engineering, University of Colorado, Boulder, Colorado 80309, USA; Materials Science and Engineering Program, University of Colorado, Boulder, Colorado 80309, USA; Buildings and Thermal Systems Center, National Renewable Energy Laboratory, Golden, Colorado 80401, USA

2018-02-28

Understanding thermal transport in nanofiber networks is essential for their applications in thermal management, which are used extensively as mechanically sturdy thermal insulation or high thermal conductivity materials. In this study, using the statistical theory and Fourier's law of heat conduction while accounting for both the inter-fiber contact thermal resistance and the intrinsic thermal resistance of nanofibers, an analytical model is developed to predict the thermal conductivity of nanofiber networks as a function of their geometric and thermal properties. A scaling relation between the thermal conductivity and the geometric properties including volume fraction and nanofiber length of the network is revealed. This model agrees well with both numerical simulations and experimental measurements found in the literature. This model may prove useful in analyzing the experimental results and designing nanofiber networks for both high and low thermal conductivity applications.

Energies of conduction bands in dielectric liquids

International Nuclear Information System (INIS)

Holroyd, R.

1975-01-01

The properties of excess electrons in non-polar liquids depend on the relative energies of the trapped and conducting states. We have measured the energies of the conducting states, denoted V 0 , for about twenty non-polar liquids. Two methods were used: In one the work functions of metals immersed in the liquid were measured. In the other, solutes (TMPD) were photoionized in the liquid and V 0 calculated from the wavelength at which ionization onsets occur. A wide variation in conduction state energies is observed from a high of +0.21 eV for tetradecane to a low of --0.60 eV for tetramethylsilane. In general V 0 shifts to more negative values with increasing molecular symmetry, and correlates well with electron mobility. The photoionization results indicate that V 0 decreases with increasing temperature. In mixtures V 0 is linearly dependent on mole fraction. It was found empirically for n-hexane-neopentane mixtures that μ = 0.34 exp [--15.2(V 0 )]. This equation relating V 0 to the electron mobility also applies approximately to pure hydrocarbons. Thus the role of the conduction state energy in influencing electron mobilities and photoionization onsets is established and recent evidence indicates V 0 also influences the rates of electron reactions in these liquids

Stability of the split-band solution and energy gap in the narrow-band region of the Hubbard model

International Nuclear Information System (INIS)

Arai, T.; Cohen, M.H.

1980-01-01

By inserting quasielectron energies ω calculated from the fully renormalized Green's function of the Hubbard model obtained in the preceding paper into the exact expression of Galitskii and Migdal, the ground-state energy, the chemical potential, and the dynamic- and thermodynamic-stability conditions are calculated in the narrow-band region. The results show that as long as the interaction energy I is finite, electrons in the narrow-band region do not obey the Landau theory of Fermi liquids, and a gap appears between the lowest quasielectron energy ω and the chemical potential μ for any occupation n, regardless of whether the lower band is exactly filled or not. This unusual behavior is possible because, when an electron is added to the system of N electrons, the whole system relaxes due to the strong interaction, introducing a relaxation energy difference between the two quantities. We also show that all previous solutions which exhibit the split-band structure, including Hubbard's work, yield the same conclusion that electrons do not behave like Landau quasiparticles. However, the energy gap is calculated to be negative at least for some occupations n, demonstrating the dynamic instability of those solutions. They also exhibit thermodynamic instability for certain occupations, while the fully renormalized solution, having sufficient electron correlations built in, satisfies the dynamic and thermodynamic stability conditions for all occupations. When the lower band is nearly filled, the nature of the solution is shown to change, making the coherent motion of electrons with fixed k values more difficult. In the pathological limit where I=infinity, however, the gap vanishes, yielding a metallic state

Band co-registration modeling of LAPAN-A3/IPB multispectral imager based on satellite attitude

Science.gov (United States)

Hakim, P. R.; Syafrudin, A. H.; Utama, S.; Jayani, A. P. S.

2018-05-01

One of significant geometric distortion on images of LAPAN-A3/IPB multispectral imager is co-registration error between each color channel detector. Band co-registration distortion usually can be corrected by using several approaches, which are manual method, image matching algorithm, or sensor modeling and calibration approach. This paper develops another approach to minimize band co-registration distortion on LAPAN-A3/IPB multispectral image by using supervised modeling of image matching with respect to satellite attitude. Modeling results show that band co-registration error in across-track axis is strongly influenced by yaw angle, while error in along-track axis is fairly influenced by both pitch and roll angle. Accuracy of the models obtained is pretty good, which lies between 1-3 pixels error for each axis of each pair of band co-registration. This mean that the model can be used to correct the distorted images without the need of slower image matching algorithm, nor the laborious effort needed in manual approach and sensor calibration. Since the calculation can be executed in order of seconds, this approach can be used in real time quick-look image processing in ground station or even in satellite on-board image processing.

Kalman filter-based gap conductance modeling

International Nuclear Information System (INIS)

Tylee, J.L.

1983-01-01

Geometric and thermal property uncertainties contribute greatly to the problem of determining conductance within the fuel-clad gas gap of a nuclear fuel pin. Accurate conductance values are needed for power plant licensing transient analysis and for test analyses at research facilities. Recent work by Meek, Doerner, and Adams has shown that use of Kalman filters to estimate gap conductance is a promising approach. A Kalman filter is simply a mathematical algorithm that employs available system measurements and assumed dynamic models to generate optimal system state vector estimates. This summary addresses another Kalman filter approach to gap conductance estimation and subsequent identification of an empirical conductance model

Band Alignment at GaN/Single-Layer WSe2 Interface

KAUST Repository

Tangi, Malleswararao

2017-02-21

We study the band discontinuity at the GaN/single-layer (SL) WSe2 heterointerface. The GaN thin layer is epitaxially grown by molecular beam epitaxy on chemically vapor deposited SL-WSe2/c-sapphire. We confirm that the WSe2 was formed as an SL from structural and optical analyses using atomic force microscopy, scanning transmission electron microscopy, micro-Raman, absorbance, and microphotoluminescence spectra. The determination of band offset parameters at the GaN/SL-WSe2 heterojunction is obtained by high-resolution X-ray photoelectron spectroscopy, electron affinities, and the electronic bandgap values of SL-WSe2 and GaN. The valence band and conduction band offset values are determined to be 2.25 ± 0.15 and 0.80 ± 0.15 eV, respectively, with type II band alignment. The band alignment parameters determined here provide a route toward the integration of group III nitride semiconducting materials with transition metal dichalcogenides (TMDs) for designing and modeling of their heterojunction-based electronic and optoelectronic devices.

Band Alignment at GaN/Single-Layer WSe2 Interface

KAUST Repository

Tangi, Malleswararao; Mishra, Pawan; Tseng, Chien-Chih; Ng, Tien Khee; Hedhili, Mohamed N.; Anjum, Dalaver H.; Alias, Mohd Sharizal; Wei, Nini; Li, Lain-Jong; Ooi, Boon S.

2017-01-01

We study the band discontinuity at the GaN/single-layer (SL) WSe2 heterointerface. The GaN thin layer is epitaxially grown by molecular beam epitaxy on chemically vapor deposited SL-WSe2/c-sapphire. We confirm that the WSe2 was formed as an SL from structural and optical analyses using atomic force microscopy, scanning transmission electron microscopy, micro-Raman, absorbance, and microphotoluminescence spectra. The determination of band offset parameters at the GaN/SL-WSe2 heterojunction is obtained by high-resolution X-ray photoelectron spectroscopy, electron affinities, and the electronic bandgap values of SL-WSe2 and GaN. The valence band and conduction band offset values are determined to be 2.25 ± 0.15 and 0.80 ± 0.15 eV, respectively, with type II band alignment. The band alignment parameters determined here provide a route toward the integration of group III nitride semiconducting materials with transition metal dichalcogenides (TMDs) for designing and modeling of their heterojunction-based electronic and optoelectronic devices.

Assessment of multipath and shadowing effects on UHF band in ...

African Journals Online (AJOL)

In this work, the multi-path and shadowing effects on signal impairment were investigated through the use of empirical and semi-empirical path loss models analysis in built-up environments. Electromagnetic field strength measurements were conducted using four television transmitters at UHF bands along four major routes ...

Snow measurement Using P-Band Signals of Opportunity Reflectometry

Science.gov (United States)

Shah, R.; Yueh, S. H.; Xu, X.; Elder, K.

2017-12-01

Snow water storage in land is a critical parameter of the water cycle. In this study, we develop methods for estimating reflectance from bistatic scattering of digital communication Signals of Opportunity (SoOp) across the available microwave spectrum from VHF to Ka band and show results from proof-of-concept experiments at the Fraser Experimental Forest, Colorado to acquire measurements to relate the SoOp phase and reflectivity to a snow-covered soil surface. The forward modeling of this scenario will be presented and multiple sensitivities were conducted. Available SoOp receiver data along with a network of in situ sensor measurements collected since January 2016 will be used to validate theoretical modeling results. In the winter season of 2016 and 2017, we conducted a field experiment using VHF/UHF-band illuminating sources to detect SWE and surface reflectivity. The amplitude of the reflectivity showed sensitivity to the wetness of snow pack and ground reflectivity while the phase showed sensitivity to SWE. This use of this concept can be helpful to measure the snow water storage in land globally.

Structure and properties of a model conductive filament/host oxide interface in HfO2-based ReRAM

Science.gov (United States)

Padilha, A. C. M.; McKenna, K. P.

2018-04-01

Resistive random-access memory (ReRAM) is a promising class of nonvolatile memory capable of storing information via its resistance state. In the case of hafnium oxide-based devices, experimental evidence shows that a conductive oxygen-deficient filament is formed and broken inside of the device by oxygen migration, leading to switching of its resistance state. However, little is known about the nature of this conductive phase, its interface with the host oxide, or the associated interdiffusion of oxygen, presenting a challenge to understanding the switching mechanism and device properties. To address these problems, we present atomic-scale first-principles simulations of a prototypical conductive phase (HfO), the electronic properties of its interface with HfO2, as well as stability with respect to oxygen diffusion across the interface. We show that the conduction-band offset between HfO and HfO2 is 1.3 eV, smaller than typical electrode-HfO2 band offsets, suggesting that positive charging and band bending should occur at the conductive filament-HfO2 interface. We also show that transfer of oxygen across the interface, from HfO2 into HfO, costs around 1.2 eV per atom and leads to a gradual opening of the HfO band gap, and hence disruption of the electrical conductivity. These results provide invaluable insights into understanding the switching mechanism for HfO2-based ReRAM.

Electron and hole photoemission detection for band offset determination of tunnel field-effect transistor heterojunctions

International Nuclear Information System (INIS)

Li, Wei; Zhang, Qin; Kirillov, Oleg A.; Levin, Igor; Richter, Curt A.; Gundlach, David J.; Nguyen, N. V.; Bijesh, R.; Datta, S.; Liang, Yiran; Peng, Lian-Mao; Liang, Xuelei

2014-01-01

We report experimental methods to ascertain a complete energy band alignment of a broken-gap tunnel field-effect transistor based on an InAs/GaSb hetero-junction. By using graphene as an optically transparent electrode, both the electron and hole barrier heights at the InAs/GaSb interface can be quantified. For a Al 2 O 3 /InAs/GaSb layer structure, the barrier height from the top of the InAs and GaSb valence bands to the bottom of the Al 2 O 3 conduction band is inferred from electron emission whereas hole emissions reveal the barrier height from the top of the Al 2 O 3 valence band to the bottom of the InAs and GaSb conduction bands. Subsequently, the offset parameter at the broken gap InAs/GaSb interface is extracted and thus can be used to facilitate the development of predicted models of electron quantum tunneling efficiency and transistor performance

Direct current hopping conductance in one-dimensional diagonal disordered systems

Institute of Scientific and Technical Information of China (English)

Ma Song-Shan; Xu Hui; Liu Xiao-Liang; Xiao Jian-Rong

2006-01-01

Based on a tight-binding disordered model describing a single electron band, we establish a direct current (dc) electronic hopping transport conductance model of one-dimensional diagonal disordered systems, and also derive a dc conductance formula. By calculating the dc conductivity, the relationships between electric field and conductivity and between temperature and conductivity are analysed, and the role played by the degree of disorder in electronic transport is studied. The results indicate the conductivity of systems decreasing with the increase of the degree of disorder, characteristics of negative differential dependence of resistance on temperature at low temperatures in diagonal disordered systems, and the conductivity of systems decreasing with the increase of electric field, featuring the non-Ohm's law conductivity.

Low temperature intermediate band metallic behavior in Ti implanted Si

Energy Technology Data Exchange (ETDEWEB)

Olea, Javier, E-mail: oleaariza@fis.ucm.es; Pastor, David; Garcia-Hemme, Eric; Garcia-Hernansanz, Rodrigo; Prado, Alvaro del; Martil, Ignacio; Gonzalez-Diaz, German

2012-08-31

Si samples implanted with very high Ti doses and subjected to Pulsed-Laser Melting (PLM) have been electrically analyzed in the scope of a two-layer model previously reported based on the Intermediate Band (IB) theory. Conductivity and Hall effect measurements using the van der Pauw technique suggest that the insulator-metal transition takes place for implantation doses in the 10{sup 14}-10{sup 16} cm{sup -2} range. Results of the sample implanted with the 10{sup 16} cm{sup -2} dose show a metallic behavior at low temperature that is explained by the formation of a p-type IB out of the Ti deep levels. This suggests that the IB would be semi-filled, which is essential for IB photovoltaic devices. - Highlights: Black-Right-Pointing-Pointer We fabricated high dose Ti implanted Si samples for intermediate band research. Black-Right-Pointing-Pointer We measured the electronic transport properties in the 7-300 K range. Black-Right-Pointing-Pointer We show an insulator to metallic transition when the intermediate band is formed. Black-Right-Pointing-Pointer The intermediate band is semi-filled and populated by holes. Black-Right-Pointing-Pointer We satisfactorily explain the electrical behavior by an intermediate band model.

Electron conductivity model for dense plasmas

International Nuclear Information System (INIS)

Lee, Y.T.; More, R.M.

1984-01-01

An electron conductivity model for dense plasmas is described which gives a consistent and complete set of transport coefficients including not only electrical conductivity and thermal conductivity, but also thermoelectric power, and Hall, Nernst, Ettinghausen, and Leduc--Righi coefficients. The model is useful for simulating plasma experiments with strong magnetic fields. The coefficients apply over a wide range of plasma temperature and density and are expressed in a computationally simple form. Different formulas are used for the electron relaxation time in plasma, liquid, and solid phases. Comparisons with recent calculations and available experimental measurement show the model gives results which are sufficiently accurate for many practical applications

Homogenized thermal conduction model for particulate foods

OpenAIRE

Chinesta , Francisco; Torres , Rafael; Ramón , Antonio; Rodrigo , Mari Carmen; Rodrigo , Miguel

2002-01-01

International audience; This paper deals with the definition of an equivalent thermal conductivity for particulate foods. An homogenized thermal model is used to asses the effect of particulate spatial distribution and differences in thermal conductivities. We prove that the spatial average of the conductivity can be used in an homogenized heat transfer model if the conductivity differences among the food components are not very large, usually the highest conductivity ratio between the foods ...

Electron spin polarization induced by spin Hall effect in semiconductors with a linear in the momentum spin-orbit splitting of conduction band

OpenAIRE

Korenev, V. L.

2005-01-01

It is shown that spin Hall effect creates uniform spin polarization of electrons in semiconductor with a linear in the momentum spin splitting of conduction band. In turn, the profile of the non-uniform spin polarization accumulated at the edge of the sample oscillates in space even in the absence of an external magnetic field.

Optical conductivity calculation of a k.p model semiconductor GaAs incorporating first-order electron-hole vertex correction

Science.gov (United States)

Nurhuda, Maryam; Aziz Majidi, Muhammad

2018-04-01

The role of excitons in semiconducting materials carries potential applications. Experimental results show that excitonic signals also appear in optical absorption spectra of semiconductor system with narrow gap, such as Gallium Arsenide (GaAs). While on the theoretical side, calculation of optical spectra based purely on Density Functional Theory (DFT) without taking electron-hole (e-h) interactions into account does not lead to the appearance of any excitonic signal. Meanwhile, existing DFT-based algorithms that include a full vertex correction through Bethe-Salpeter equation may reveal an excitonic signal, but the algorithm has not provided a way to analyze the excitonic signal further. Motivated to provide a way to isolate the excitonic effect in the optical response theoretically, we develop a method of calculation for the optical conductivity of a narrow band-gap semiconductor GaAs within the 8-band k.p model that includes electron-hole interactions through first-order electron-hole vertex correction. Our calculation confirms that the first-order e-h vertex correction reveals excitonic signal around 1.5 eV (the band gap edge), consistent with the experimental data.

Lifetime enhancement for multiphoton absorption in intermediate band solar cells

International Nuclear Information System (INIS)

Bezerra, Anibal T; Studart, Nelson

2017-01-01

A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p – i–n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell. (paper)

Lifetime enhancement for multiphoton absorption in intermediate band solar cells

Science.gov (United States)

Bezerra, Anibal T.; Studart, Nelson

2017-08-01

A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p-i-n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell.

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.

The influence of band Jahn-Teller effect and magnetic order on the magneto-resistance in manganite systems

Energy Technology Data Exchange (ETDEWEB)

Rout, G.C., E-mail: gcr@iopb.res.i [Condensed Matter Physics Group, Department of Applied Physics and Ballistics, F.M. University, Balasore, Orissa 756019 (India); Parhi, Nilima [Department of Physics, M.P.C. (Autonomous) College, Baripada, Orissa 757001 (India); Behera, S.N. [Institute of Material Science, Bhubaneswar 751004 (India)

2009-08-01

A model calculation is presented in order to study the magneto-resistivity through the interplay between magnetic and structural transitions for the manganite systems. The model consists of an orbitally doubly degenerate conduction band and a periodic array of local moments of the t{sub 2g} electrons. The band electrons interact with the local t{sub 2g} electrons via the s-f hybridization. The phonons interact with the band electrons through static and dynamic band Jahn-Teller (J-T) interaction. The model Hamiltonian including the above terms is solved for the single particle Green's functions and the imaginary part of the self-energy gives the electron relaxation time. Thus the magneto-resistivity (MR) is calculated from the Drude formula. The MR effect is explained near the magnetic and structural transition temperatures.

Side-band-separating heterodyne mixer for band 9 of ALMA.

NARCIS (Netherlands)

Mena, F. P.; Baryshev, A. M.; Kooi, J.; Lodewijk, C. F. J.; Gerlofsma, G.; Hesper, R.; Wild, W.; Shen, XC; Lu, W; Zhang, J; Dou, WB

2006-01-01

Here we present the realization of a side-band-separating (2SB) heterodyne mixer for the frequency range from 602 to 720 GHz (corresponding to ALMA band 9). The mixer, in brief, consists of a quadrature hybrid, two LO injectors, two SIS junctions, and three dumping loads. All the parts were modeled

Rain effect on Aquarius L-band Emissivity and Backscatter Model Functions

Science.gov (United States)

Tang, W.; Yueh, S. H.; Fore, A.; Neumann, G.; Hayashi, A.

2012-12-01

Remote sensing of sea surface salinity (SSS) is being performed by Aquarius and SMOS missions, which are using L-band radiometry to sense the microwave emissions from sea surfaces. To enable accurate SSS retrieval, it is essential to correct the impact of sea surface roughness on L-band brightness temperatures. In addition, the impact of rain has to be carefully assessed and accounted for. Although the atmospheric attenuation caused by raindrops are likely negligible at 1.4GHz, other factors must be considered because they may have indirect but important contribution to the surface roughness and consequently L-band brightness temperatures. For example, the wind speed dependent roughness correction will be corrupted when rain striking the water, creating rings, stalks, and crowns from which the signal scatters. It is also unknown how long the freshwater stays at surface while through the oceanic mixing process at various regions over global oceans. We collocated the Aquarius L-band data with various wind products, including SSM/I, NCEP, ASCAT and WindSAT, as well as the SSM/I and WindSAT rain products. During the first four months of Aquarius mission, near 1.9 million pixels are identified under rain conditions by either SSM/I or WindSAT. We derived the L-band emissivity and backscatter geophysical model functions (GMF), parameterized by SSM/I and NCEP winds for rain-free conditions. However, the residual ocean surface emissivity (the Aquarius measured minus the rain-free model predictions) reveals profound resemblance with global precipitation pattern. In region dominated by rain, e.g. ITCZ, northern hemisphere storm track, and Indian Ocean partially under the influence of summer monsoon, the GMF built using rain free data underestimates excess emissivity about 0.5 to 1 K. The dependence of residual of emissivity and backscatter is shown as a function of wind speed and rain rate. A modified GMF is developed including rain rate as one of the parameters. Due to

Attractive electron correlation in wide band gap semiconductors by electron-photon interaction

International Nuclear Information System (INIS)

Takeda, Hiroyuki; Yoshino, Katsumi

2004-01-01

We theoretically demonstrate attractive electron correlation in wide band gap semiconductors by electron-photon interaction. At low temperature, wavevectors of electromagnetic waves absorbed in wide band gap semiconductors cannot be neglected for wavevectors of electron waves; that is, electromagnetic waves affect the movements of electrons. In particular, attractive interaction occurs between two electrons when one electron changes from a valence band to a conduction band and the other electron changes from a conduction band to a valence band

Modeling of Metallic Glass Matrix Composites Under Compression: Microstructure Effect on Shear Band Evolution

Science.gov (United States)

Jiang, Yunpeng; Qiu, Kun; Sun, Longgang; Wu, Qingqing

2018-01-01

The relationship among processing, microstructure, and mechanical performance is the most important for metallic glass matrix composites (MGCs). Numerical modeling was performed on the shear banding in MGCs, and the impacts of particle concentration, morphology, agglomerate, size, and thermal residual stress were revealed. Based on the shear damage criterion, the equivalent plastic strain acted as an internal state variable to depict the nucleation, growth, and coalescence of shear bands. The element deletion technique was employed to describe the process of transformation from shear band to micro-crack. The impedance effect of particle morphology on the propagation of shear bands was discussed, whereby the toughening mechanism was clearly interpreted. The present work contributes to the subsequent strengthening and toughening design of MGCs.

Dust bands in the asteroid belt

International Nuclear Information System (INIS)

Sykes, M.V.; Greenberg, R.; Dermott, S.F.; Nicholson, P.D.; Burns, J.A.

1989-01-01

This paper describes the original IRAS observations leading to the discovery of the three dust bands in the asteroid belt and the analysis of data. Special attention is given to an analytical model of the dust band torus and to theories concerning the origin of the dust bands, with special attention given to the collisional equilibrium (asteroid family), the nonequilibrium (random collision), and the comet hypotheses of dust-band origin. It is noted that neither the equilibrium nor nonequilibrium models, as currently formulated, present a complete picture of the IRAS dust-band observations. 32 refs

Soil Moisture Estimate under Forest using a Semi-empirical Model at P-Band

Science.gov (United States)

Truong-Loi, M.; Saatchi, S.; Jaruwatanadilok, S.

2013-12-01

In this paper we show the potential of a semi-empirical algorithm to retrieve soil moisture under forests using P-band polarimetric SAR data. In past decades, several remote sensing techniques have been developed to estimate the surface soil moisture. In most studies associated with radar sensing of soil moisture, the proposed algorithms are focused on bare or sparsely vegetated surfaces where the effect of vegetation can be ignored. At long wavelengths such as L-band, empirical or physical models such as the Small Perturbation Model (SPM) provide reasonable estimates of surface soil moisture at depths of 0-5cm. However for densely covered vegetated surfaces such as forests, the problem becomes more challenging because the vegetation canopy is a complex scattering environment. For this reason there have been only few studies focusing on retrieving soil moisture under vegetation canopy in the literature. Moghaddam et al. developed an algorithm to estimate soil moisture under a boreal forest using L- and P-band SAR data. For their studied area, double-bounce between trunks and ground appear to be the most important scattering mechanism. Thereby, they implemented parametric models of radar backscatter for double-bounce using simulations of a numerical forest scattering model. Hajnsek et al. showed the potential of estimating the soil moisture under agricultural vegetation using L-band polarimetric SAR data and using polarimetric-decomposition techniques to remove the vegetation layer. Here we use an approach based on physical formulation of dominant scattering mechanisms and three parameters that integrates the vegetation and soil effects at long wavelengths. The algorithm is a simplification of a 3-D coherent model of forest canopy based on the Distorted Born Approximation (DBA). The simplified model has three equations and three unknowns, preserving the three dominant scattering mechanisms of volume, double-bounce and surface for three polarized backscattering

Electronic transport properties of Ti-impurity band in Si

Energy Technology Data Exchange (ETDEWEB)

Olea, J; Gonzalez-Diaz, G; Pastor, D; Martil, I [Departamento de Fisica Aplicada III (Electricidad y Electronica), Facultad de Ciencias, Fisicas, Universidad Complutense, E-28040 Madrid (Spain)

2009-04-21

In this paper we show that pulsed laser melted high dose implantation of Ti in Si, above the Mott transition, produces an impurity band (IB) in this semiconductor. Using the van der Pauw method and Hall effect measurements we find strong laminated conductivity at the implanted layer and a temperature dependent decoupling between the Ti implanted layer (TIL) and the substrate. The conduction mechanism from the TIL to the substrate shows blocking characteristics that could be well explained through IB theory. Using the ATLAS code we can estimate the energetic position of the IB at 0.36 eV from the conduction band, the density of holes in this band which is closely related to the Ti atomic density and the hole mobility in this band. Band diagrams of the structure at low and high temperatures are also simulated in the ATLAS framework. The simulation obtained is fully coherent with experimental results.

Electronic transport properties of Ti-impurity band in Si

International Nuclear Information System (INIS)

Olea, J; Gonzalez-Diaz, G; Pastor, D; Martil, I

2009-01-01

In this paper we show that pulsed laser melted high dose implantation of Ti in Si, above the Mott transition, produces an impurity band (IB) in this semiconductor. Using the van der Pauw method and Hall effect measurements we find strong laminated conductivity at the implanted layer and a temperature dependent decoupling between the Ti implanted layer (TIL) and the substrate. The conduction mechanism from the TIL to the substrate shows blocking characteristics that could be well explained through IB theory. Using the ATLAS code we can estimate the energetic position of the IB at 0.36 eV from the conduction band, the density of holes in this band which is closely related to the Ti atomic density and the hole mobility in this band. Band diagrams of the structure at low and high temperatures are also simulated in the ATLAS framework. The simulation obtained is fully coherent with experimental results.

Fast integration-based prediction bands for ordinary differential equation models.

Science.gov (United States)

Hass, Helge; Kreutz, Clemens; Timmer, Jens; Kaschek, Daniel

2016-04-15

To gain a deeper understanding of biological processes and their relevance in disease, mathematical models are built upon experimental data. Uncertainty in the data leads to uncertainties of the model's parameters and in turn to uncertainties of predictions. Mechanistic dynamic models of biochemical networks are frequently based on nonlinear differential equation systems and feature a large number of parameters, sparse observations of the model components and lack of information in the available data. Due to the curse of dimensionality, classical and sampling approaches propagating parameter uncertainties to predictions are hardly feasible and insufficient. However, for experimental design and to discriminate between competing models, prediction and confidence bands are essential. To circumvent the hurdles of the former methods, an approach to calculate a profile likelihood on arbitrary observations for a specific time point has been introduced, which provides accurate confidence and prediction intervals for nonlinear models and is computationally feasible for high-dimensional models. In this article, reliable and smooth point-wise prediction and confidence bands to assess the model's uncertainty on the whole time-course are achieved via explicit integration with elaborate correction mechanisms. The corresponding system of ordinary differential equations is derived and tested on three established models for cellular signalling. An efficiency analysis is performed to illustrate the computational benefit compared with repeated profile likelihood calculations at multiple time points. The integration framework and the examples used in this article are provided with the software package Data2Dynamics, which is based on MATLAB and freely available at http://www.data2dynamics.org helge.hass@fdm.uni-freiburg.de Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e

Performance characteristics of a perforated shadow band under clear sky conditions

Energy Technology Data Exchange (ETDEWEB)

Brooks, Michael J. [School of Mechanical Engineering, University of KwaZulu-Natal, Durban (South Africa)

2010-12-15

A perforated, non-rotating shadow band is described for separating global solar irradiance into its diffuse and direct normal components using a single pyranometer. Whereas shadow bands are normally solid so as to occult the sensor of a pyranometer throughout the day, the proposed band has apertures cut from its circumference to intermittently expose the instrument sensor at preset intervals. Under clear sky conditions the device produces a saw tooth waveform of irradiance data from which it is possible to reconstruct separate global and diffuse curves. The direct normal irradiance may then be calculated giving a complete breakdown of the irradiance curves without need of a second instrument or rotating shadow band. This paper describes the principle of operation of the band and gives a mathematical model of its shading mask based on the results of an optical ray tracing study. An algorithm for processing the data from the perforated band system is described and evaluated. In an extended trial conducted at NREL's Solar Radiation Research Laboratory, the band coupled with a thermally corrected Eppley PSP produced independent curves for diffuse, global and direct normal irradiance with low mean bias errors of 5.6 W/m{sup 2}, 0.3 W/m{sup 2} and -2.6 W/m{sup 2} respectively, relative to collocated reference instruments. Random uncertainties were 9.7 W/m{sup 2} (diffuse), 17.3 W/m{sup 2} (global) and 19.0 W/m{sup 2} (direct). When the data processing algorithm was modified to include the ray trace model of sensor exposure, uncertainties increased only marginally, confirming the effectiveness of the model. Deployment of the perforated band system can potentially increase the accuracy of data from ground stations in predominantly sunny areas where instrumentation is limited to a single pyranometer. (author)

Modeling liver electrical conductivity during hypertonic injection.

Science.gov (United States)

Castellví, Quim; Sánchez-Velázquez, Patricia; Moll, Xavier; Berjano, Enrique; Andaluz, Anna; Burdío, Fernando; Bijnens, Bart; Ivorra, Antoni

2018-01-01

Metastases in the liver frequently grow as scattered tumor nodules that neither can be removed by surgical resection nor focally ablated. Previously, we have proposed a novel technique based on irreversible electroporation that may be able to simultaneously treat all nodules in the liver while sparing healthy tissue. The proposed technique requires increasing the electrical conductivity of healthy liver by injecting a hypersaline solution through the portal vein. Aiming to assess the capability of increasing the global conductivity of the liver by means of hypersaline fluids, here, it is presented a mathematical model that estimates the NaCl distribution within the liver and the resulting conductivity change. The model fuses well-established compartmental pharmacokinetic models of the organ with saline injection models used for resuscitation treatments, and it considers changes in sinusoidal blood viscosity because of the hypertonicity of the solution. Here, it is also described a pilot experimental study in pigs in which different volumes of NaCl 20% (from 100 to 200 mL) were injected through the portal vein at different flow rates (from 53 to 171 mL/minute). The in vivo conductivity results fit those obtained by the model, both quantitatively and qualitatively, being able to predict the maximum conductivity with a 14.6% average relative error. The maximum conductivity value was 0.44 second/m, which corresponds to increasing 4 times the mean basal conductivity (0.11 second/m). The results suggest that the presented model is well suited for predicting on liver conductivity changes during hypertonic saline injection. Copyright © 2017 John Wiley & Sons, Ltd.

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)

Band-structure-based collisional model for electronic excitations in ion-surface collisions

International Nuclear Information System (INIS)

Faraggi, M.N.; Gravielle, M.S.; Alducin, M.; Silkin, V.M.; Juaristi, J.I.

2005-01-01

Energy loss per unit path in grazing collisions with metal surfaces is studied by using the collisional and dielectric formalisms. Within both theories we make use of the band-structure-based (BSB) model to represent the surface interaction. The BSB approach is based on a model potential and provides a precise description of the one-electron states and the surface-induced potential. The method is applied to evaluate the energy lost by 100 keV protons impinging on aluminum surfaces at glancing angles. We found that when the realistic BSB description of the surface is used, the energy loss obtained from the collisional formalism agrees with the dielectric one, which includes not only binary but also plasmon excitations. The distance-dependent stopping power derived from the BSB model is in good agreement with available experimental data. We have also investigated the influence of the surface band structure in collisions with the Al(100) surface. Surface-state contributions to the energy loss and electron emission probability are analyzed

Anomaly in the band centre of the one-dimensional Anderson model

Science.gov (United States)

Kappus, M.; Wegner, F.

1981-03-01

We calculate the density of states and various characteristic lengths of the one-dimensional Anderson model in the limit of weak disorder. All these quantities show anomalous fluctuations near the band centre. This has already been observed for the density of states in a different model by Gorkov and Dorokhov, and is in close agreement with a Monte-Carlo calculation for the localization length by Czycholl, Kramer and Mac-Kinnon.

Relating P-band AIRSAR backscatter to forest stand parameters

Science.gov (United States)

Wang, Yong; Melack, John M.; Davis, Frank W.; Kasischke, Eric S.; Christensen, Norman L., Jr.

1993-01-01

As part of research on forest ecosystems, the Jet Propulsion Laboratory (JPL) and collaborating research teams have conducted multi-season airborne synthetic aperture radar (AIRSAR) experiments in three forest ecosystems including temperate pine forest (Duke, Forest, North Carolina), boreal forest (Bonanza Creek Experimental Forest, Alaska), and northern mixed hardwood-conifer forest (Michigan Biological Station, Michigan). The major research goals were to improve understanding of the relationships between radar backscatter and phenological variables (e.g. stand density, tree size, etc.), to improve radar backscatter models of tree canopy properties, and to develop a radar-based scheme for monitoring forest phenological changes. In September 1989, AIRSAR backscatter data were acquired over the Duke Forest. As the aboveground biomass of the loblolly pine forest stands at Duke Forest increased, the SAR backscatter at C-, L-, and P-bands increased and saturated at different biomass levels for the C-band, L-band, and P-band data. We only use the P-band backscatter data and ground measurements here to study the relationships between the backscatter and stand density, the backscatter and mean trunk dbh (diameter at breast height) of trees in the stands, and the backscatter and stand basal area.

Sub-band-gap absorption in Ga2O3

Science.gov (United States)

Peelaers, Hartwin; Van de Walle, Chris G.

2017-10-01

β-Ga2O3 is a transparent conducting oxide that, due to its large bandgap of 4.8 eV, exhibits transparency into the UV. However, the free carriers that enable the conductivity can absorb light. We study the effect of free carriers on the properties of Ga2O3 using hybrid density functional theory. The presence of free carriers leads to sub-band-gap absorption and a Burstein-Moss shift in the onset of absorption. We find that for a concentration of 1020 carriers, the Fermi level is located 0.23 eV above the conduction-band minimum. This leads to an increase in the electron effective mass from 0.27-0.28 me to 0.35-0.37 me and a sub-band-gap absorption band with a peak value of 0.6 × 103 cm-1 at 3.37 eV for light polarized along the x or z direction. Both across-the-gap and free-carrier absorption depend strongly on the polarization of the incoming light. We also provide parametrizations of the conduction-band shape and the effective mass as a function of the Fermi level.

Modelling the effect of hydration on skin conductivity.

Science.gov (United States)

Davies, L; Chappell, P; Melvin, T

2017-08-01

Electrical signals are recorded from and sent into the body via the skin in a number of applications. In practice, skin is often hydrated with liquids having different conductivities so a model was produced in order to determine the relationship between skin impedance and conductivity. A model representing the skin was subjected to a variety of electrical signals. The parts of the model representing the stratum corneum were given different conductivities to represent different levels of hydration. The overall impedance and conductivity of the cells did not vary at frequencies below 40 kHz. Above 40 kHz, levels of increased conductivity caused the overall impedance to decrease. The variation in impedance with conductivity between 5 and 50 mSm -1 can be modelled quadratically while variation in impedance with conductivity between 5 and 5000 mSm -1 can be modelled with a double exponential decay. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Copper nano composites functionalized by bis-benzimidazole diamide ligand: Effect of size, co-anion dependent conductivity and band gap studies

International Nuclear Information System (INIS)

Singla, Manisha; Mohapatra, Subash Chandra; Ahmad, Sharif

2012-01-01

Copper (I) and copper (II) nano composites capped with a bis-benzimidazole diamide ligand were prepared by reverse micelle method and characterized using CHNS, FTIR, 1 H NMR, TEM and DLS studies. All particles were spherical ranging between 10 and 70 nm. They displayed a quasi reversible redox wave due to the Cu (II)/Cu (I) reduction process. The E g1 ′ values shift anodically as NO 3 − − − . Electrochemical HOMO and LUMO band gap (E g1 ′ ) for the nano composites were +1.80 (NO 3 − ), +2.80 (Cl − ) and +4.10 (SCN − ) eV, respectively. However, the optical band gap (E g1 ) for the nano composites was calculated from their absorption edges and lie between 1.77 and 4.13 eV. Fluorescence studies reveal that nano composites in themselves behave as an enhancer and quencher in respect to ligand, Quantum yield (φ) is varying from 0.008 to 0.02 photon. The activation energies range from 34 to 54 kJ mol −1 and are quite low in comparison to that of the free bis-benzimidazole diamide ligand (137 kJ mol −1 ). The lower activation energies further re-emphasize the nano size of these composites. At room temperature, the dc conductivity lies between 1 × 10 −4 –9.33 × 10 −4 S cm −1 [NO 3 − > SCN − > Cl − ] indicating them to be on the semiconductor insulator interface. The dielectric constant, dielectric loss and the ac conductivity were measured for all nano at room temperature and below the room temperature for the nano composite containing nitrate as co-anion. The conductivity was found to follow the correlated barrier hopping (CBH) mechanism; the exponent factor (s) varies from 0.5 to 1. -- Highlights: ► Nano composites of copper, capped by bis benzimidazole diamide ligand. ► Such copper nano composites have not been used in conductivity studies before. ► Conductance studies for these thus make this work unique. ► The dc conductivity of these composites is much higher than normal.

Low frequency ac conduction and dielectric relaxation in poly(N ...

Indian Academy of Sciences (India)

Unknown

polymer chain in the form of bands analogous to that of a semiconductor and the ... these materials a model has been proposed which suggests the application of two .... values is almost equal to dc conductivity value while in high frequency ...

Pushing the pseudo-SU(3) model towards its limits: Excited bands in even-even Dy isotopes

International Nuclear Information System (INIS)

Vargas, Carlos E.; Hirsch, Jorge G.

2004-01-01

The energetics of states belonging to normal parity bands in even-even dysprosium isotopes, and their B(E2) transition strengths, are studied using an extended pseudo-SU(3) shell model. States with pseudospin 1 are added to the standard pseudospin 0 space, allowing for a proper description of known excited normal parity bands. A realistic Hamiltonian is employed. Both the success of model and its limitations are discussed

Hopping models for ion conduction in noncrystals

DEFF Research Database (Denmark)

Dyre, Jeppe; Schrøder, Thomas

2007-01-01

semiconductors). These universalities are subject of much current interest, for instance interpreted in the context of simple hopping models. In the present paper we first discuss the temperature dependence of the dc conductivity in hopping models and the importance of the percolation phenomenon. Next......, the experimental (quasi)universality of the ac conductivity is discussed. It is shown that hopping models are able to reproduce the experimental finding that the response obeys time-temperature superposition, while at the same time a broad range of activation energies is involved in the conduction process. Again...

Quantum conductance of zigzag graphene oxide nanoribbons

International Nuclear Information System (INIS)

Kan, Zhe; Nelson, Christopher; Khatun, Mahfuza

2014-01-01

The electronic properties of zigzag graphene oxide nanoribbons (ZGOR) are presented. The results show interesting behaviors which are considerably different from the properties of the perfect graphene nanoribbons (GNRs). The theoretical methods include a Huckel-tight binding approach, a Green's function methodology, and the Landauer formalism. The presence of oxygen on the edge results in band bending, a noticeable change in density of states and thus the conductance. Consequently, the occupation in the valence bands increase for the next neighboring carbon atom in the unit cell. Conductance drops in both the conduction and valence band regions are due to the reduction of allowed k modes resulting from band bending. The asymmetry of the energy band structure of the ZGOR is due to the energy differences of the atoms. The inclusion of a foreign atom's orbital energies changes the dispersion relation of the eigenvalues in energy space. These novel characteristics are important and valuable in the study of quantum transport of GNRs

Valence band structure and density of states effective mass model of biaxial tensile strained silicon based on k · p theory

International Nuclear Information System (INIS)

Kuang Qian-Wei; Liu Hong-Xia; Wang Shu-Long; Qin Shan-Shan; Wang Zhi-Lin

2011-01-01

After constructing a stress and strain model, the valence bands of in-plane biaxial tensile strained Si is calculated by k · p method. In the paper we calculate the accurate anisotropy valance bands and the splitting energy between light and heavy hole bands. The results show that the valance bands are highly distorted, and the anisotropy is more obvious. To obtain the density of states (DOS) effective mass, which is a very important parameter for device modeling, a DOS effective mass model of biaxial tensile strained Si is constructed based on the valance band calculation. This model can be directly used in the device model of metal—oxide semiconductor field effect transistor (MOSFET). It also a provides valuable reference for biaxial tensile strained silicon MOSFET design. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Band-to-band transitions, selection rules, effective mass, and excitonic contributions in monoclinic β -Ga2O3

Science.gov (United States)

Mock, Alyssa; Korlacki, Rafał; Briley, Chad; Darakchieva, Vanya; Monemar, Bo; Kumagai, Yoshinao; Goto, Ken; Higashiwaki, Masataka; Schubert, Mathias

2017-12-01

We employ an eigenpolarization model including the description of direction dependent excitonic effects for rendering critical point structures within the dielectric function tensor of monoclinic β -Ga2O3 yielding a comprehensive analysis of generalized ellipsometry data obtained from 0.75-9 eV. The eigenpolarization model permits complete description of the dielectric response. We obtain, for single-electron and excitonic band-to-band transitions, anisotropic critical point model parameters including their polarization vectors within the monoclinic lattice. We compare our experimental analysis with results from density functional theory calculations performed using the Gaussian-attenuation-Perdew-Burke-Ernzerhof hybrid density functional. We present and discuss the order of the fundamental direct band-to-band transitions and their polarization selection rules, the electron and hole effective mass parameters for the three lowest band-to-band transitions, and their excitonic contributions. We find that the effective masses for holes are highly anisotropic and correlate with the selection rules for the fundamental band-to-band transitions. The observed transitions are polarized close to the direction of the lowest hole effective mass for the valence band participating in the transition.

Microscopic nuclear structure models and methods: chiral symmetry, wobbling motion and γ –bands

International Nuclear Information System (INIS)

Sheikh, Javid A; Bhat, Gowhar H; Dar, Waheed A; Jehangir, Sheikh; Ganai, Prince A

2016-01-01

A systematic investigation of the nuclear observables related to the triaxial degree of freedom is presented using the multi-quasiparticle triaxial projected shell model (TPSM) approach. These properties correspond to the observation of γ -bands, chiral doublet bands and the wobbling mode. In the TPSM approach, γ -bands are built on each quasiparticle configuration and it is demonstrated that some observations in high-spin spectroscopy that have remained unresolved for quite some time could be explained by considering γ -bands based on two-quasiparticle configurations. It is shown in some Ce-, Nd- and Ge-isotopes that the two observed aligned or s-bands originate from the same intrinsic configuration with one of them as the γ -band based on a two-quasiparticle configuration. In the present work, we have also performed a detailed study of γ -bands observed up to the highest spin in dysposium, hafnium, mercury and uranium isotopes. Furthermore, several measurements related to chiral symmetry breaking and wobbling motion have been reported recently. These phenomena, which are possible only for triaxial nuclei, have been investigated using the TPSM approach. It is shown that doublet bands observed in lighter odd–odd Cs-isotopes can be considered as candidates for chiral symmetry breaking. Transverse wobbling motion recently observed in 135 Pr has also been investigated and it is shown that TPSM approach provides a reasonable description of the measured properties. (invited comment)

TiO 2 Conduction Band Modulation with In 2 O 3 Recombination Barrier Layers in Solid-State Dye-Sensitized Solar Cells

KAUST Repository

Brennan, Thomas P.

2013-11-21

Atomic layer deposition (ALD) was used to grow subnanometer indium oxide recombination barriers in a solid-state dye-sensitized solar cell (DSSC) based on the spiro-OMeTAD hole-transport material (HTM) and the WN1 donor-π-acceptor organic dye. While optimal device performance was achieved after 3-10 ALD cycles, 15 ALD cycles (∼2 Å of In2O 3) was observed to be optimal for increasing open-circuit voltage (VOC) with an average improvement of over 100 mV, including one device with an extremely high VOC of 1.00 V. An unexpected phenomenon was observed after 15 ALD cycles: the increasing VOC trend reversed, and after 30 ALD cycles VOC dropped by over 100 mV relative to control devices without any In2O3. To explore possible causes of the nonmonotonic behavior resulting from In2O3 barrier layers, we conducted several device measurements, including transient photovoltage experiments and capacitance measurements, as well as density functional theory (DFT) studies. Our results suggest that the VOC gains observed in the first 20 ALD cycles are due to both a surface dipole that pulls up the TiO2 conduction band and recombination suppression. After 30 ALD cycles, however, both effects are reversed: the surface dipole of the In2O3 layer reverses direction, lowering the TiO 2 conduction band, and mid-bandgap states introduced by In 2O3 accelerate recombination, leading to a reduced V OC. © 2013 American Chemical Society.

X-band COSMO-SkyMed wind field retrieval, with application to coastal circulation modeling

Directory of Open Access Journals (Sweden)

A. Montuori

2013-02-01

Full Text Available In this paper, X-band COSMO-SkyMed^© synthetic aperture radar (SAR wind field retrieval is investigated, and the obtained data are used to force a coastal ocean circulation model. The SAR data set consists of 60 X-band Level 1B Multi-Look Ground Detected ScanSAR Huge Region COSMO-SkyMed^© SAR data, gathered in the southern Tyrrhenian Sea during the summer and winter seasons of 2010. The SAR-based wind vector field estimation is accomplished by resolving both the SAR-based wind speed and wind direction retrieval problems independently. The sea surface wind speed is retrieved by means of a SAR wind speed algorithm based on the azimuth cut-off procedure, while the sea surface wind direction is provided by means of a SAR wind direction algorithm based on the discrete wavelet transform multi-resolution analysis. The obtained wind fields are compared with ground truth data provided by both ASCAT scatterometer and ECMWF model wind fields. SAR-derived wind vector fields and ECMWF model wind data are used to construct a blended wind product regularly sampled in both space and time, which is then used to force a coastal circulation model of a southern Tyrrhenian coastal area to simulate wind-driven circulation processes. The modeling results show that X-band COSMO-SkyMed^© SAR data can be valuable in providing effective wind fields for coastal circulation modeling.

Predicting superdeformed rotational band-head spin in A ∼ 190 mass region using variable moment of inertia model

International Nuclear Information System (INIS)

Uma, V.S.; Goel, Alpana; Yadav, Archana; Jain, A.K.

2016-01-01

The band-head spin (I 0 ) of superdeformed (SD) rotational bands in A ∼ 190 mass region is predicted using the variable moment of inertia (VMI) model for 66 SD rotational bands. The superdeformed rotational bands exhibited considerably good rotational property and rigid behaviour. The transition energies were dependent on the prescribed band-head spins. The ratio of transition energies over spin Eγ/ 2 I (RTEOS) vs. angular momentum (I) have confirmed the rigid behaviour, provided the band-head spin value is assigned correctly. There is a good agreement between the calculated and the observed transition energies. This method gives a very comprehensive interpretation for spin assignment of SD rotational bands which could help in designing future experiments for SD bands. (author)

Hydrostatic pressure effects on the {gamma}-X conduction band mixing and the binding energy of a donor impurity in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells

Energy Technology Data Exchange (ETDEWEB)

Duque, C.A. [Instituto de Fisica, Universidad de Antioquia, AA 1226, Medellin (Colombia); Lopez, S.Y. [Facultad de Educacion, Universidad de Antioquia, AA 1226, Medellin (Colombia); Mora-Ramos, M.E. [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, C.P. 62210, Cuernavaca (Mexico)

2007-06-15

Mixing between {gamma} and X valleys of the conduction band in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells is investigated taken into account the effect of applied hydrostatic pressure. This effect is introduced via the pressure-dependent values of the corresponding energy gaps and the main band parameters. The mixing is considered along the lines of a phenomenological model. Variation of the confined ground state in the well as a function of the pressure is reported. The dependencies of the variationally calculated binding energy of a donor impurity with the hydrostatic pressure and well width are also presented. It is shown that the inclusion of the {gamma}-X mixing explains the non-linear behavior in the photoluminescence peak of confined exciton states that has been observed for pressures above 20 kbar. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

The modified turning bands (MTB) model for space-time rainfall. I. Model definition and properties

Science.gov (United States)

Mellor, Dale

1996-02-01

A new stochastic model of space-time rainfall, the Modified Turning Bands (MTB) model, is proposed which reproduces, in particular, the movements and developments of rainbands, cluster potential regions and raincells, as well as their respective interactions. The ensemble correlation structure is unsuitable for practical estimation of the model parameters because the model is not ergodic in this statistic, and hence it cannot easily be measured from a single real storm. Thus, some general theory on the internal covariance structure of a class of stochastic models is presented, of which the MTB model is an example. It is noted that, for the MTB model, the internal covariance structure may be measured from a single storm, and can thus be used for model identification.

Parallel LC circuit model for multi-band absorption and preliminary design of radiative cooling.

Science.gov (United States)

Feng, Rui; Qiu, Jun; Liu, Linhua; Ding, Weiqiang; Chen, Lixue

2014-12-15

We perform a comprehensive analysis of multi-band absorption by exciting magnetic polaritons in the infrared region. According to the independent properties of the magnetic polaritons, we propose a parallel inductance and capacitance(PLC) circuit model to explain and predict the multi-band resonant absorption peaks, which is fully validated by using the multi-sized structure with identical dielectric spacing layer and the multilayer structure with the same strip width. More importantly, we present the application of the PLC circuit model to preliminarily design a radiative cooling structure realized by merging several close peaks together. This omnidirectional and polarization insensitive structure is a good candidate for radiative cooling application.

Band head spin assignment of superdeformed bands in 133Pr using two-parameter formulae

Science.gov (United States)

Sharma, Honey; Mittal, H. M.

2018-03-01

The two-parameter formulae viz. the power index formula, the nuclear softness formula and the VMI model are adopted to accredit the band head spin (I0) of four superdeformed rotational bands in 133Pr. The technique of least square fitting is used to accredit the band head spin for four superdeformed rotational bands in 133Pr. The root mean deviation among the computed transition energies and well-known experimental transition energies are attained by extracting the model parameters from the two-parameter formulae. The determined transition energies are in excellent agreement with the experimental transition energies, whenever exact spins are accredited. The power index formula coincides well with the experimental data and provides minimum root mean deviation. So, the power index formula is more efficient tool than the nuclear softness formula and the VMI model. The deviation of dynamic moment of inertia J(2) against the rotational frequency is also examined.

Future changes in the East Asian rain band projected by global atmospheric models with 20-km and 60-km grid size

Energy Technology Data Exchange (ETDEWEB)

Kusunoki, Shoji; Mizuta, Ryo [Meteorological Research Institute, Climate Research Department, Tsukuba, Ibaraki (Japan); Matsueda, Mio [Japan Agency for Marine-Earth Science and Technology (JAMSTEC), Tsukuba, Ibaraki (Japan)

2011-12-15

Global warming projection experiments were conducted using a 20-km mesh global atmospheric model, focusing on the change in the rain band of East Asian summer monsoon. To assess the uncertainty of climate change projections, we performed ensemble simulations with the 60-km resolution model combining four different SSTs and three atmospheric initial conditions. In the present-day climate simulations, the 20-km model reproduces the rain band of East Asian summer monsoon better than lower resolution models in terms of geographical distribution and seasonal march. In the future climate simulation by the 20-km model, precipitation increases over the Yangtze River valley in May through July, Korean peninsula in May, and Japan in July. The termination of rainy season over Japan tends to be delayed until August. Ensemble simulations by the 60-km model show that precipitation in the future climate for July increases over the Yangtze River valley, the East China Sea and Japan. These changes in precipitation are partly consistent with those projected by the 20-km model. Simulations by the 20-km and 60-km models consistently show that in the future climate the termination of rainy season over Japan tends to be delayed until August. The changes in the vertically integrated water vapor flux show the intensification of clockwise moisture transport over the western Pacific subtropical high. Most precipitation changes over the East Asia can be interpreted as the moisture convergence resulting from change in the horizontal transport of water vapor. (orig.)

A model for the direct-to-indirect band-gap transition in monolayer ...

Indian Academy of Sciences (India)

Abstract. A monolayer of MoSe2 is found to be a direct band-gap semiconductor. We show, ... In order to determine appropriate basis for the tight-binding model, the Mo and Se ..... RD thanks the Council of Scientific and Industrial Research.

Development of irradiated UO2 thermal conductivity model

International Nuclear Information System (INIS)

Lee, Chan Bock; Bang Je-Geon; Kim Dae Ho; Jung Youn Ho

2001-01-01

Thermal conductivity model of the irradiated UO 2 pellet was developed, based upon the thermal diffusivity data of the irradiated UO 2 pellet measured during thermal cycling. The model predicts the thermal conductivity by multiplying such separate correction factors as solid fission products, gaseous fission products, radiation damage and porosity. The developed model was validated by comparison with the variation of the measured thermal diffusivity data during thermal cycling and prediction of other UO 2 thermal conductivity models. Since the developed model considers the effect of gaseous fission products as a separate factor, it can predict variation of thermal conductivity in the rim region of high burnup UO 2 pellet where the fission gases in the matrix are precipitated into bubbles, indicating that decrease of thermal conductivity by bubble precipitation in rim region would be significantly compensated by the enhancing effect of fission gas depletion in the UO 2 matrix. (author)

Challenges with space-time rainfall in urban hydrology highlighted with a semi-distributed model using C-band and X-band radar data

Science.gov (United States)

da Silva Rocha Paz, Igor; Ichiba, Abdellah; Skouri-Plakali, Ilektra; Lee, Jisun; Gires, Auguste; Tchiguirinskaia, Ioulia; Schertzer, Daniel

2017-04-01

Climate change and global warming are expected to make precipitation events more frequent, more severe and more local. This may have serious consequences for human health, the environment, cultural heritage, economic activities, utilities and public service providers. Then precipitation risk and water management is a key challenge for densely populated urban areas. Applications derived from high (time and space) resolution observation of precipitations are to make our cities more weather-ready. Finer resolution data available from X-band dual radar measurements enhance engineering tools as used for urban planning policies as well as protection (mitigation/adaptation) strategies to tackle climate-change related weather events. For decades engineering tools have been developed to work conveniently either with very local rain gauge networks, or with mainly C-band weather radars that have gradually been set up for space-time remote sensing of precipitation. Most of the time, the C-band weather radars continue to be calibrated by the existing rain gauge networks. Inhomogeneous distributions of rain gauging networks lead to only a partial information on the rainfall fields. In fact, the statistics of measured rainfall is strongly biased by the fractality of the measuring networks. This fractality needs to be properly taken in to account to retrieve the original properties of the rainfall fields, in spite of the radar data calibration. In this presentation, with the help of multifractal analysis, we first demonstrate that the semi-distributed hydrological models statistically reduce the rainfall fields into rainfall measured by a much scarcer network of virtual rain gauges. For this purpose, we use C-band and X-band radar data. The first has a resolution of 1 km in space and 5 min in time and is in fact a product provided by RHEA SAS after treating the Météo-France C-band radar data. The latter is measured by the radar operated at Ecole des Ponts and has a resolution of

Infrared transparency and electrical conductivity of non-stoichiometric InxOy films

International Nuclear Information System (INIS)

Joseph, Shay; Berger, Shlomo

2010-01-01

In an effort to achieve both high infrared transparency and electrical conductivity, In x O y films having different oxygen atomic fractions, ranging from 0.27 to 0.6 were prepared. From AC electrical measurements it was determined that conductivity of In x O y films, having oxygen atomic fraction near 0.6, is governed by the hopping conduction mechanism via energy states located in the band gap. Conductivity of In x O y films having non-stoichiometric compositions was found to be governed by the free band conduction mechanism. The conduction activation energy was decreased from about 0.47 eV to about 0.02 eV as the deviation of the oxygen atomic fraction from the stoichiometric value of 0.6 was increased. The dielectric function of the films was determined by applying the Drude-Lorentz model to ellipsometric measurements in the infrared and visible wavelengths. In the visible range, the major source for optical transmission loss is interband absorption, which was modeled by the Lorentz model. In the infrared range, optical absorption was measured and attributed to the presence of free charge carriers according to the Drude model. Fitting the model to the optical measurements required a correction factor, which was correlated with the films polarizability. In order to determine the optimal tradeoff between optical transparency in the infrared and electrical conductivity, which were found to be affected mainly by the oxygen concentration in the films, a figure of merit parameter was established. It was found that by introducing non-stoichiometry in the form of oxygen deficiency, the electrical conductivity was improved by as much as two orders of magnitude while the infrared transparency was decreased by no more than 30% with respect to stoichiometric In 2 O 3 films.

Spin alignment and collective moment of inertia of the basic rotational band in the cranking model

International Nuclear Information System (INIS)

Tanaka, Yoshihide

1982-01-01

By making an attempt to separate the intrinsic particle and collective rotational motions in the cranking model, the spin alignment and the collective moment of inertia characterizing the basic rotational bands are defined, and are investigated by using a simple i sub(13/2) shell model. The result of the calculation indicates that the collective moment of inertia decreases under the presence of the quasiparticles which are responsible for the increase of the spin alignment of the band. (author)

B(M1) values in the band-crossing of shears bands in 197Pb

Science.gov (United States)

Krücken, R.; Cooper, J. R.; Beausang, C. W.; Novak, J. R.; Dewald, A.; Klug, T.; Kemper, G.; von Brentano, P.; Carpenter, M.; Wiedenhöver, I.

We present details of the band crossing mechanism of shears bands using the example of 197Pb. Absolute reduced matrix elements B(M1) were determined by means of a RDM lifetime measurement in one of the shears bands in 197Pb. The experiment was performed using the New Yale Plunger Device (NYPD) in conjunction with the Gammasphere array. Band mixing calculations on the basis of the semi-classical model of the shears mechanism are used to describe the transition matrix elements B(M1) and energies throughout the band-crossing regions. Good agreement with the data was obtained and the detailed composition of the states in the shears band are discussed.

Adjustment of Conduction Band Edge of Compact TiO2 Layer in Perovskite Solar Cells Through TiCl4 Treatment.

Science.gov (United States)

Murakami, Takurou N; Miyadera, Tetsuhiko; Funaki, Takashi; Cojocaru, Ludmila; Kazaoui, Said; Chikamatsu, Masayuki; Segawa, Hiroshi

2017-10-25

Perovskite solar cells (PSCs) without a mesoporous TiO 2 layer, that is, planar-type PSCs exhibit poorer cell performance as compared to PSCs with a porous TiO 2 layer, owing to inefficient electron transfer from the perovskite layer to the compact TiO 2 layer in the former case. The matching of the conduction band levels of perovskite and the compact TiO 2 layer is thus essential for enhancing PSC performance. In this study, we demonstrate the shifting of the conduction band edge (CBE) of the compact TiO 2 layer through a TiCl 4 treatment, with the aim of improving PSC performance. The CBE of the compact TiO 2 layer was shifted to a higher level through the TiCl 4 treatment and then shifted in the opposite direction, that is, to a lower level, through a subsequent heat treatment. These shifts in the CBE were reflected in the PSC performance. The TiCl 4 -treated PSC showed an increase in the open-circuit voltage of more than 150 mV, as well as a decrease of 100 mV after being heated at 450 °C. On the other hand, the short-circuit current decreased after the treatment but increased after heating at temperatures higher than 300 °C. The treated PSC subjected to subsequent heating at 300 °C exhibited the best performance, with the power conversion efficiency of the PSC being 17% under optimized conditions.

Design of an S band narrow-band bandpass BAW filter

Science.gov (United States)

Gao, Yang; Zhao, Kun-li; Han, Chao

2017-11-01

An S band narrowband bandpass filter BAW with center frequency 2.460 GHz, bandwidth 41MHz, band insertion loss - 1.154 dB, the passband ripple 0.9 dB, the out of band rejection about -42.5dB@2.385 GHz; -45.5dB@2.506 GHz was designed for potential UAV measurement and control applications. According to the design specifications, the design is as follows: each FBAR's stack was designed in BAW filter by using Mason model. Each FBAR's shape was designed with the method of apodization electrode. The layout of BAW filter was designed. The acoustic-electromagnetic cosimulation model was built to validate the performance of the designed BAW filter. The presented design procedure is a common one, and there are two characteristics: 1) an A and EM co-simulation method is used for the final BAW filter performance validation in the design stage, thus ensures over-optimistic designs by the bare 1D Mason model are found and rejected in time; 2) An in-house developed auto-layout method is used to get compact BAW filter layout, which simplifies iterative error-and-try work here and output necessary in-plane geometry information to the A and EM cosimulation model.

Bayesian Model Averaging of Artificial Intelligence Models for Hydraulic Conductivity Estimation

Science.gov (United States)

Nadiri, A.; Chitsazan, N.; Tsai, F. T.; Asghari Moghaddam, A.

2012-12-01

This research presents a Bayesian artificial intelligence model averaging (BAIMA) method that incorporates multiple artificial intelligence (AI) models to estimate hydraulic conductivity and evaluate estimation uncertainties. Uncertainty in the AI model outputs stems from error in model input as well as non-uniqueness in selecting different AI methods. Using one single AI model tends to bias the estimation and underestimate uncertainty. BAIMA employs Bayesian model averaging (BMA) technique to address the issue of using one single AI model for estimation. BAIMA estimates hydraulic conductivity by averaging the outputs of AI models according to their model weights. In this study, the model weights were determined using the Bayesian information criterion (BIC) that follows the parsimony principle. BAIMA calculates the within-model variances to account for uncertainty propagation from input data to AI model output. Between-model variances are evaluated to account for uncertainty due to model non-uniqueness. We employed Takagi-Sugeno fuzzy logic (TS-FL), artificial neural network (ANN) and neurofuzzy (NF) to estimate hydraulic conductivity for the Tasuj plain aquifer, Iran. BAIMA combined three AI models and produced better fitting than individual models. While NF was expected to be the best AI model owing to its utilization of both TS-FL and ANN models, the NF model is nearly discarded by the parsimony principle. The TS-FL model and the ANN model showed equal importance although their hydraulic conductivity estimates were quite different. This resulted in significant between-model variances that are normally ignored by using one AI model.

Fermi surface changes in dilute magnesium alloys: a pseudopotential band structure model

International Nuclear Information System (INIS)

Fung, W.K.

1976-01-01

The de Haas-van Alphen effect has been used to study the Fermi surface of pure magnesium and its dilute alloys containing lithium and indium. The quantum oscillations in magnetization were detected by means of a torque magnetometer in magnetic field up to 36 kilogauss and temperature range of 4.2 0 to 1.7 0 K. The results provide information on the effects of lithium and indium solutes on the Fermi surface of magnesium in changes of extremal cross sections and effective masses as well as the relaxation times associated with the orbits. The nonlocal pseudopotential model proposed by Kimball, Stark and Mueller has been fitted to the Fermi surface of magnesium and extended to include the dilute alloys, fitting all the observed de Haas-van Alphen frequencies with an accuracy of better than 1 percent. A modified rigid band interpretation including both Fermi energy and local band edge changes computed from the model, gives an overall satisfactory description of the observed frequency shifts. With the pseudo-wavefunctions provided by the nonlocal model, the relaxation times in terms of Dingle temperatures for several orbits have been predicted using Sorbello's multiple-plane-wave phase shift model. The calculation with phase shifts obtained from a model potential yields a greater anisotropy than has been observed experimentally, while a two-parameter phase shift model provides a good fit to the experimental results

In-Sample Confidence Bands and Out-of-Sample Forecast Bands for Time-Varying Parameters in Observation Driven Models

NARCIS (Netherlands)

Blasques, F.; Koopman, S.J.; Lasak, K.A.; Lucas, A.

2016-01-01

We study the performances of alternative methods for calculating in-sample confidence and out-of-sample forecast bands for time-varying parameters. The in-sample bands reflect parameter uncertainty, while the out-of-sample bands reflect not only parameter uncertainty, but also innovation

Transmission line model and fields analysis of metamaterial absorber in the terahertz band.

Science.gov (United States)

Wen, Qi-Ye; Xie, Yun-Song; Zhang, Huai-Wu; Yang, Qing-Hui; Li, Yuan-Xun; Liu, Ying-Li

2009-10-26

Metamaterial (MM) absorber is a novel device to provide near-unity absorption to electromagnetic wave, which is especially important in the terahertz (THz) band. However, the principal physics of MM absorber is still far from being understood. In this work, a transmission line (TL) model for MM absorber was proposed, and with this model the S-parameters, energy consumption, and the power loss density of the absorber were calculated. By this TL model, the asymmetric phenomenon of THz absorption in MM absorber is unambiguously demonstrated, and it clarifies that strong absorption of this absorber under studied is mainly related to the LC resonance of the split-ring-resonator structure. The distribution of power loss density in the absorber indicates that the electromagnetic wave is firstly concentrated into some specific locations of the absorber and then be strongly consumed. This feature as electromagnetic wave trapper renders MM absorber a potential energy converter. Based on TL model, some design strategies to widen the absorption band were also proposed for the purposes to extend its application areas.

Topological model of composite fermions in the cyclotron band generator picture: New insights

Science.gov (United States)

Staśkiewicz, Beata

2018-03-01

A combinatorial group theory in the braid groups is correlated with the unusual "anyon" statistic of particles in 2D Hall system in the fractional quantum regime well. On this background has been derived cyclotron band generator as a modification and generalization band generator, first established to solve the word and conjugacy problems in the braid group terms. Topological commensurability condition has been embraced by canonical factors - like, based on the concept of parallel descending cycles. Owing to this we can mathematically capture the general hierarchy of correlated states in the lowest Landau level, describing the fractional quantum Hall effect hierarchy, in terms of cyclotron band generators, especially for those being beyond conventional composite fermions model. It has been also shown that cyclotron braid subgroups, developed for interpretation of Laughlin correlations, are a special case of the right-angled Artin groups.

Band parameters of phosphorene

DEFF Research Database (Denmark)

Lew Yan Voon, L. C.; Wang, J.; Zhang, Y.

2015-01-01

Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory...... are computed using a first-principles theory based upon the generalized-gradient approximation to the density-functional theory. These parameters and Hamiltonian will be useful for modeling physical properties of phosphorene....

Thermal conductivity model for nanoporous thin films

Science.gov (United States)

Huang, Congliang; Zhao, Xinpeng; Regner, Keith; Yang, Ronggui

2018-03-01

Nanoporous thin films have attracted great interest because of their extremely low thermal conductivity and potential applications in thin thermal insulators and thermoelectrics. Although there are some numerical and experimental studies about the thermal conductivity of nanoporous thin films, a simplified model is still needed to provide a straightforward prediction. In this paper, by including the phonon scattering lifetimes due to film thickness boundary scattering, nanopore scattering and the frequency-dependent intrinsic phonon-phonon scattering, a fitting-parameter-free model based on the kinetic theory of phonon transport is developed to predict both the in-plane and the cross-plane thermal conductivities of nanoporous thin films. With input parameters such as the lattice constants, thermal conductivity, and the group velocity of acoustic phonons of bulk silicon, our model shows a good agreement with available experimental and numerical results of nanoporous silicon thin films. It illustrates that the size effect of film thickness boundary scattering not only depends on the film thickness but also on the size of nanopores, and a larger nanopore leads to a stronger size effect of the film thickness. Our model also reveals that there are different optimal structures for getting the lowest in-plane and cross-plane thermal conductivities.

Conductance of Conjugated Molecular Wires: Length Dependence, Anchoring Groups, and Band Alignment

DEFF Research Database (Denmark)

Peng, Guowen; Strange, Mikkel; Thygesen, Kristian Sommer

2009-01-01

, is not solely determined by the intrinsic band gap of the molecular wire but also depends on the anchoring group. This is because the alignment of the metal Fermi level with respect to the molecular levels is controlled by charge transfer and interface dipoles which in turn are determined by the local chemistry...

Modeling charged defects inside density functional theory band gaps

International Nuclear Information System (INIS)

Schultz, Peter A.; Edwards, Arthur H.

2014-01-01

Density functional theory (DFT) has emerged as an important tool to probe microscopic behavior in materials. The fundamental band gap defines the energy scale for charge transition energy levels of point defects in ionic and covalent materials. The eigenvalue gap between occupied and unoccupied states in conventional DFT, the Kohn–Sham gap, is often half or less of the experimental band gap, seemingly precluding quantitative studies of charged defects. Applying explicit and rigorous control of charge boundary conditions in supercells, we find that calculations of defect energy levels derived from total energy differences give accurate predictions of charge transition energy levels in Si and GaAs, unhampered by a band gap problem. The GaAs system provides a good theoretical laboratory for investigating band gap effects in defect level calculations: depending on the functional and pseudopotential, the Kohn–Sham gap can be as large as 1.1 eV or as small as 0.1 eV. We find that the effective defect band gap, the computed range in defect levels, is mostly insensitive to the Kohn–Sham gap, demonstrating it is often possible to use conventional DFT for quantitative studies of defect chemistry governing interesting materials behavior in semiconductors and oxides despite a band gap problem

An Econometric Diffusion Model of Exchange Rate Movements within a Band - Implications for Interest Rate Differential and Credibility of Exchange Rate Policy

OpenAIRE

Rantala, Olavi

1992-01-01

The paper presents a model ofexchange rate movements within a specified exchange rate band enforced by central bank interventions. The model is based on the empirical observation that the exchange rate has usually been strictly inside the band, at least in Finland. In this model the distribution of the exchange rate is truncated lognormal from the edges towards the center of the band and hence quite different from the bimodal distribution of the standard target zone model. The model is estima...

Band parameters of phosphorene

International Nuclear Information System (INIS)

Lew Yan Voon, L C; Wang, J; Zhang, Y; Willatzen, M

2015-01-01

Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory are computed using a first-principles theory based upon the generalized-gradient approximation to the density-functional theory. These parameters and Hamiltonian will be useful for modeling physical properties of phosphorene. (paper)

Low-temperature dependence of the optical conductivity in superconductor MgB2

International Nuclear Information System (INIS)

Shahzamanian, M.A.; Yavary, H.; Moarrefi, M.

2005-01-01

The real part of the optical conductivity is calculated by using the Kubo formula approach, and in the framework of the two-bands model. It is shown that a single-gap model is insufficient to describe the optical behavior of superconductor MgB 2 film, but the two-gap model with different symmetries is sufficient to explain the experimental results

Viscoelastic effect on acoustic band gaps in polymer-fluid composites

International Nuclear Information System (INIS)

Merheb, B; Deymier, P A; Muralidharan, K; Bucay, J; Jain, M; Aloshyna-Lesuffleur, M; Mohanty, S; Berker, A; Greger, R W

2009-01-01

In this paper, we present a theoretical analysis of the propagation of acoustic waves through elastic and viscoelastic two-dimensional phononic crystal structures. Numerical calculations of transmission spectra are conducted by extending the finite-difference-time-domain method to account for linear viscoelastic materials with time-dependent moduli. We study a phononic crystal constituted of a square array of cylindrical air inclusions in a solid viscoelastic matrix. The elastic properties of the solid are those of a silicone rubber. This system exhibits very wide band gaps in its transmission spectrum that extend to frequencies in the audible range of the spectrum. These gaps are characteristic of fluid matrix/air inclusion systems and result from the very large contrast between the longitudinal and transverse speeds of sound in rubber. By treating the matrix as a viscoelastic medium within the standard linear solid (SLS) model, we demonstrate that viscoelasticity impacts the transmission properties of the rubber/air phononic crystal not only by attenuating the transmitted acoustic waves but also by shifting the passing bands frequencies toward lower values. The ranges of frequencies exhibiting attenuation or frequency shift are determined by the value of the relaxation time in the SLS model. We show that viscoelasticity can be used to decrease the frequency of pass bands (and consequently stop bands) in viscoelastic/air phononic crystals

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

Development and testing of Band 10 receivers for the ALMA project

International Nuclear Information System (INIS)

Uzawa, Y.; Fujii, Y.; Gonzalez, A.; Kaneko, K.; Kroug, M.; Kojima, T.; Kuroiwa, K.; Miyachi, A.; Saito, S.; Makise, K.; Wang, Z.; Asayama, S.

2013-01-01

Highlights: •The ALMA Band 10 (787–950 GHz) SIS receivers have been developed. •The complex conductivity of NbTiN was measured by a THz-TDS for the mixer design. •Tens of Band 10 receivers have been produced and their performance was quite well. •The best achieved receiver noise temperature was 125 K corresponding to 3hf/k B . •Band 10 receiver installed in the ALMA antenna captured astronomical signals. -- Abstract: The production model of a dual polarization heterodyne receiver for the Atacama Large Millimeter/submillimteter Array (ALMA) telescope has been developed to operate in the 787–950 GHz frequency band. The receiver uses two double sideband (DSB) waveguide mixers with Nb/AlOx/Nb tunnel junctions and NbTiN/SiO 2 /Al microstrip tuning circuits on quartz substrate. A terahertz time domain spectrometer was used to characterize our NbTiN film for the tuning circuit design, which revealed that the complex conductivity of the film is described by the Mattis-Bardeen theory including a finite scattering time of 15 fs and a superconducting gap with a gap ratio 2Δ/k B T C ∼ 4.0. Tens of these receivers (out of the total production number of 73) have been successfully produced, and their performance is well within the stringent ALMA requirements. The best achieved DSB receiver noise temperature is 125 K, corresponding to about 3hf/k B for 4 K operation. One of Band 10 receivers has successfully been installed in the ALMA antenna for a test observation

Soil hydraulic properties near saturation, an improved conductivity model

DEFF Research Database (Denmark)

Børgesen, Christen Duus; Jacobsen, Ole Hørbye; Hansen, Søren

2006-01-01

of commonly used hydraulic conductivity models and give suggestions for improved models. Water retention and near saturated and saturated hydraulic conductivity were measured for a variety of 81 top and subsoils. The hydraulic conductivity models by van Genuchten [van Genuchten, 1980. A closed-form equation...... for predicting the hydraulic conductivity of unsaturated soils. Soil Sci. Soc. Am. J. 44, 892–898.] (vGM) and Brooks and Corey, modified by Jarvis [Jarvis, 1991. MACRO—A Model of Water Movement and Solute Transport in Macroporous Soils. Swedish University of Agricultural Sciences. Department of Soil Sciences....... Optimising a matching factor (k0) improved the fit considerably whereas optimising the l-parameter in the vGM model improved the fit only slightly. The vGM was improved with an empirical scaling function to account for the rapid increase in conductivity near saturation. Using the improved models...

A Monte Carlo simulation for bipolar resistive memory switching in large band-gap oxides

Energy Technology Data Exchange (ETDEWEB)

Hur, Ji-Hyun, E-mail: jhhur123@gmail.com, E-mail: jeonsh@korea.ac.kr [Department of Applied Physics, Korea University, Sejong 2511, Sejong 339-700 (Korea, Republic of); Compound Device Laboratory, Samsung Advanced Institute of Technology, Nongseo-dong, Giheung-gu, Yongin-si, Gyeonggi-Do 446-712 (Korea, Republic of); Lee, Dongsoo [Compound Device Laboratory, Samsung Advanced Institute of Technology, Nongseo-dong, Giheung-gu, Yongin-si, Gyeonggi-Do 446-712 (Korea, Republic of); Jeon, Sanghun, E-mail: jhhur123@gmail.com, E-mail: jeonsh@korea.ac.kr [Department of Applied Physics, Korea University, Sejong 2511, Sejong 339-700 (Korea, Republic of)

2015-11-16

A model that describes bilayered bipolar resistive random access memory (BL-ReRAM) switching in oxide with a large band gap is presented. It is shown that, owing to the large energy barrier between the electrode and thin oxide layer, the electronic conduction is dominated by trap-assisted tunneling. The model is composed of an atomic oxygen vacancy migration model and an electronic tunneling conduction model. We also show experimentally observed three-resistance-level switching in Ru/ZrO{sub 2}/TaO{sub x} BL-ReRAM that can be explained by the two types of traps, i.e., shallow and deep traps in ZrO{sub 2}.

Characterizing the dependence of vegetation model parameters on crop structure, incidence angle, and polarization at L-band

DEFF Research Database (Denmark)

Wigneron, J-P.; Pardé, M.; Waldteufel, P.

2004-01-01

To retrieve soil moisture over vegetation-covered areas from microwave radiometry, it is necessary to account for vegetation effects. At L-band, many retrieval approaches are based on a simple model that relies on two vegetation parameters: the optical depth (tau) and the single-scattering albedo......, wheat, grass, and alfalfa) based on L-band experimental datasets. The results should be useful for developing more accurate forward modeling and retrieval methods over mixed pixels including a variety of vegetation types....

An Empirical Outdoor-to-Indoor Path Loss Model from below 6 GHz to cm-Wave Frequency Bands

DEFF Research Database (Denmark)

Rodriguez Larrad, Ignacio; Nguyen, Huan Cong; Kovács, István Z.

2017-01-01

This letter presents an empirical multi-frequency outdoor-to-indoor path loss model. The model is based on measurements performed on the exact same set of scenarios for different frequency bands ranging from traditional cellular allocations below 6 GHz (0.8, 2, 3.5 and 5.2 GHz), up to cm-wave fre......This letter presents an empirical multi-frequency outdoor-to-indoor path loss model. The model is based on measurements performed on the exact same set of scenarios for different frequency bands ranging from traditional cellular allocations below 6 GHz (0.8, 2, 3.5 and 5.2 GHz), up to cm...

Fractional Heat Conduction Models and Thermal Diffusivity Determination

Directory of Open Access Journals (Sweden)

Monika Žecová

2015-01-01

Full Text Available The contribution deals with the fractional heat conduction models and their use for determining thermal diffusivity. A brief historical overview of the authors who have dealt with the heat conduction equation is described in the introduction of the paper. The one-dimensional heat conduction models with using integer- and fractional-order derivatives are listed. Analytical and numerical methods of solution of the heat conduction models with using integer- and fractional-order derivatives are described. Individual methods have been implemented in MATLAB and the examples of simulations are listed. The proposal and experimental verification of the methods for determining thermal diffusivity using half-order derivative of temperature by time are listed at the conclusion of the paper.

Bondwire array modeling for the design of hybrid high power amplifiers above C-band

DEFF Research Database (Denmark)

Hernández, Carlos Cilla; Jónasson, Sævar Þór; Hanberg, Jesper

2012-01-01

This paper presents a bondwire array model obtained using a software based on the finite elements method and validated up to 15 GHz by measurements over a purpose-build array structure. This work addresses the limits of the inductor-based bondwire model when used at frequencies above C-band to si...

Theoretical Modeling and Analysis of L- and P-band Radar Backscatter Sensitivity to Soil Active Layer Dielectric Variations

Directory of Open Access Journals (Sweden)

Jinyang Du

2015-07-01

Full Text Available Freeze-thaw (FT and moisture dynamics within the soil active layer are critical elements of boreal, arctic and alpine ecosystems, and environmental change assessments. We evaluated the potential for detecting dielectric changes within different soil layers using combined L- and P-band radar remote sensing as a prerequisite for detecting FT and moisture profile changes within the soil active layer. A two-layer scattering model was developed and validated for simulating radar responses from vertically inhomogeneous soil. The model simulations indicated that inhomogeneity in the soil dielectric profile contributes to both L- and P-band backscatter, but with greater P-band sensitivity at depth. The difference in L- and P-band responses to soil dielectric profile inhomogeneity appears suitable for detecting associated changes in soil active layer conditions. Additional evaluation using collocated airborne radar (AIRSAR observations and in situ soil moisture measurements over alpine tundra indicates that combined L- and P-band SAR observations are sensitive to soil dielectric profile heterogeneity associated with variations in soil moisture and FT conditions.

Electrical conductivity of free-standing mesoporous silicon thin films

International Nuclear Information System (INIS)

Khardani, M.; Bouaicha, M.; Dimassi, W.; Zribi, M.; Aouida, S.; Bessais, B.

2006-01-01

The effective electrical conductivity of free-standing p + -type porous silicon layers having porosities ranging from 30% to 80% was studied at both experimental and theoretical sides. An Effective Medium Approximation (EMA) model was used as a theoretical support. The porous silicon (PS) films were prepared by the electrochemical etching method for different values of the anodic current density. In order to model the PS electrical conductivity, the free-standing porous layer was assumed to be formed of three phases; vacuum, oxide and Si nanocrystallites. The analytical expression of the electrical conductivity of the Si nanocrystallites was established using the quantum confinement theory. This enables us to correlate the electrical conductivity of the mesoporous film to the value of the effective band gap energy estimated from the absorption coefficient. A perfect agreement between the theoretical and the experimental electrical conductivity values was obtained for all prospected PS porosities

Itinerant ferromagnetism in the As 4p conduction band of Ba_{0.6}K_{0.4}Mn_{2}As_{2} identified by X-ray magnetic circular dichroism.

Science.gov (United States)

Ueland, B G; Pandey, Abhishek; Lee, Y; Sapkota, A; Choi, Y; Haskel, D; Rosenberg, R A; Lang, J C; Harmon, B N; Johnston, D C; Kreyssig, A; Goldman, A I

2015-05-29

X-ray magnetic circular dichroism (XMCD) measurements on single-crystal and powder samples of Ba_{0.6}K_{0.4}Mn_{2}As_{2} show that the ferromagnetism below T_{C}≈100  K arises in the As 4p conduction band. No XMCD signal is observed at the Mn x-ray absorption edges. Below T_{C}, however, a clear XMCD signal is found at the As K edge which increases with decreasing temperature. The XMCD signal is absent in data taken with the beam directed parallel to the crystallographic c axis indicating that the orbital magnetic moment lies in the basal plane of the tetragonal lattice. These results show that the previously reported itinerant ferromagnetism is associated with the As 4p conduction band and that distinct local-moment antiferromagnetism and itinerant ferromagnetism with perpendicular easy axes coexist in this compound at low temperature.

Validity of the concept of band edge in organic semiconductors

Science.gov (United States)

Horowitz, Gilles

2015-09-01

Because most organic semiconductors are disordered, the more appropriate function to describe their density of states (DOS) is the Gaussian distribution. A striking difference between the Gaussian DOS and the parabolic DOS found in conventional inorganic semiconductors is the fact that it does not allow for a simple and straightforward definition of the band edge. The most usual way found in the literature to define the band edge of a Gaussian DOS consists of extrapolating the tangent to the inflection point of the Gaussian curve. The aim of this paper is to discuss the validity of such a way of conduct. An analysis of data found in the literature shows that the width of the Gaussian distribution is significantly larger than what usually retained in transport models. It is also shown that the validity of the usual definition for the band edge is questioned by the fact that the density of charge carriers behave as a degenerate distribution, even at relatively low doping levels.

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

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...

Phonon dispersion and thermal conductivity of nanocrystal superlattices using three-dimensional atomistic models

International Nuclear Information System (INIS)

Zanjani, Mehdi B.; Lukes, Jennifer R.

2014-01-01

A computational study of thermal conductivity and phonon dispersion of gold nanocrystal superlattices is presented. Phonon dispersion curves, reported here for the first time from combined molecular dynamics and lattice dynamics calculations, show multiple phononic band gaps and consist of many more dispersion branches than simple atomic crystals. Fully atomistic three dimensional molecular dynamics calculations of thermal conductivity using the Green Kubo method are also performed for the first time on these materials. Thermal conductivity is observed to increase for increasing nanocrystal core size and decrease for increasing surface ligand density. Our calculations predict values in the range 0.1–1 W/m K that are consistent with reported experimental results

Semi-Empirical Calibration of the Integral Equation Model for Co-Polarized L-Band Backscattering

Directory of Open Access Journals (Sweden)

Nicolas Baghdadi

2015-10-01

Full Text Available The objective of this paper is to extend the semi-empirical calibration of the backscattering Integral Equation Model (IEM initially proposed for Synthetic Aperture Radar (SAR data at C- and X-bands to SAR data at L-band. A large dataset of radar signal and in situ measurements (soil moisture and surface roughness over bare soil surfaces were used. This dataset was collected over numerous agricultural study sites in France, Luxembourg, Belgium, Germany and Italy using various SAR sensors (AIRSAR, SIR-C, JERS-1, PALSAR-1, ESAR. Results showed slightly better simulations with exponential autocorrelation function than with Gaussian function and with HH than with VV. Using the exponential autocorrelation function, the mean difference between experimental data and Integral Equation Model (IEM simulations is +0.4 dB in HH and −1.2 dB in VV with a Root Mean Square Error (RMSE about 3.5 dB. In order to improve the modeling results of the IEM for a better use in the inversion of SAR data, a semi-empirical calibration of the IEM was performed at L-band in replacing the correlation length derived from field experiments by a fitting parameter. Better agreement was observed between the backscattering coefficient provided by the SAR and that simulated by the calibrated version of the IEM (RMSE about 2.2 dB.

A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides.

Science.gov (United States)

Linderälv, Christopher; Lindman, Anders; Erhart, Paul

2018-01-04

Wide band gap oxides are versatile materials with numerous applications in research and technology. Many properties of these materials are intimately related to defects, with the most important defect being the oxygen vacancy. Here, using electronic structure calculations, we show that the charge transition level (CTL) and eigenstates associated with oxygen vacancies, which to a large extent determine their electronic properties, are confined to a rather narrow energy range, even while band gap and the electronic structure of the conduction band vary substantially. Vacancies are classified according to their character (deep versus shallow), which shows that the alignment of electronic eigenenergies and CTL can be understood in terms of the transition between cavity-like localized levels in the large band gap limit and strong coupling between conduction band and vacancy states for small to medium band gaps. We consider both conventional and hybrid functionals and demonstrate that the former yields results in very good agreement with the latter provided that band edge alignment is taken into account.

An effective 2-band eg model of sulfur hydride H3S for high-Tc superconductivity

Science.gov (United States)

Nishiguchi, Kazutaka; Teranishi, Shingo; Miyao, Satoaki; Matsushita, Goh; Kusakabe, Koichi

To understand high transition temperature (Tc) superconductivity in sulfur hydride H3S, we propose an effective 2-band model having the eg symmetry as the minimal model for H3S. Two eg orbitals centered on a sulfur S atom are chosen for the smallest representation of relevant bands with the van-Hove singularity around the Fermi levels except for the Γ-centered small hole pockets by the sulfur 3 p orbitals. By using the maximally localized Wannier functions, we derive the minimal effective model preserving the body-centered cubic (bcc) crystal symmetry of the H3S phase having the highest Tc ( 203 K under pressures) among the other polymorphs of H3S.

A model for calculating expected performance of the Apollo unified S-band (USB) communication system

Science.gov (United States)

Schroeder, N. W.

1971-01-01

A model for calculating the expected performance of the Apollo unified S-band (USB) communication system is presented. The general organization of the Apollo USB is described. The mathematical model is reviewed and the computer program for implementation of the calculations is included.

Modelling electrolyte conductivity in a water electrolyzer cell

DEFF Research Database (Denmark)

Caspersen, Michael; Kirkegaard, Julius Bier

2012-01-01

An analytical model describing the hydrogen gas evolution under natural convection in an electrolyzer cell is developed. Main purpose of the model is to investigate the electrolyte conductivity through the cell under various conditions. Cell conductivity is calculated from a parallel resistor...

Band gap of corundumlike α -Ga2O3 determined by absorption and ellipsometry

Science.gov (United States)

Segura, A.; Artús, L.; Cuscó, R.; Goldhahn, R.; Feneberg, M.

2017-07-01

The electronic structure near the band gap of the corundumlike α phase of Ga2O3 has been investigated by means of optical absorption and spectroscopic ellipsometry measurements in the ultraviolet (UV) range (400-190 nm). The absorption coefficient in the UV region and the imaginary part of the dielectric function exhibit two prominent absorption thresholds with wide but well-defined structures at 5.6 and 6.3 eV which have been ascribed to allowed direct transitions from crystal-field split valence bands to the conduction band. Excitonic effects with large Gaussian broadening are taken into account through the Elliott-Toyozawa model, which yields an exciton binding energy of 110 meV and direct band gaps of 5.61 and 6.44 eV. The large broadening of the absorption onset is related to the slightly indirect character of the material.

Band Alignment and Optical Properties of (ZrO20.66(HfO20.34 Gate Dielectrics Thin Films on p-Si (100

Directory of Open Access Journals (Sweden)

Dahlang Tahir

2011-11-01

Full Text Available (ZrO20.66(HfO20.34 dielectric films on p-Si (100 were grown by atomic layer deposition method, for which the conduction band offsets, valence band offsets and band gaps were obtained by using X-ray photoelectron spectroscopy and reflection electron energy loss spectroscopy. The band gap, valence and conduction band offset values for (ZrO20.66(HfO20.34 dielectric thin film, grown on Si substrate were about 5.34, 2.35 and 1.87 eV respectively. This band alignment was similar to that of ZrO2. In addition, The dielectric function ε (k, ω, index of refraction n and the extinction coefficient k for the (ZrO20.66(HfO20.34 thin films were obtained from a quantitative analysis of REELS data by comparison to detailed dielectric response model calculations using the QUEELS-ε (k,ω-REELS software package. These optical properties are similar with ZrO2 dielectric thin films.

Electrical conductivity modeling in fractal non-saturated porous media

Science.gov (United States)

Wei, W.; Cai, J.; Hu, X.; Han, Q.

2016-12-01

The variety of electrical conductivity in non-saturated conditions is important to study electric conduction in natural sedimentary rocks. The electrical conductivity in completely saturated porous media is a porosity-function representing the complex connected behavior of single conducting phases (pore fluid). For partially saturated conditions, the electrical conductivity becomes even more complicated since the connectedness of pore. Archie's second law is an empirical electrical conductivity-porosity and -saturation model that has been used to predict the formation factor of non-saturated porous rock. However, the physical interpretation of its parameters, e.g., the cementation exponent m and the saturation exponent n, remains questionable. On basis of our previous work, we combine the pore-solid fractal (PSF) model to build an electrical conductivity model in non-saturated porous media. Our theoretical porosity- and saturation-dependent models contain endmember properties, such as fluid electrical conductivities, pore fractal dimension and tortuosity fractal dimension (representing the complex degree of electrical flowing path). We find the presented model with non-saturation-dependent electrical conductivity datasets indicate excellent match between theory and experiments. This means the value of pore fractal dimension and tortuosity fractal dimension change from medium to medium and depends not only on geometrical properties of pore structure but also characteristics of electrical current flowing in the non-saturated porous media.

An integrated approach to model strain localization bands in magnesium alloys

Science.gov (United States)

Baxevanakis, K. P.; Mo, C.; Cabal, M.; Kontsos, A.

2018-02-01

Strain localization bands (SLBs) that appear at early stages of deformation of magnesium alloys have been recently associated with heterogeneous activation of deformation twinning. Experimental evidence has demonstrated that such "Lüders-type" band formations dominate the overall mechanical behavior of these alloys resulting in sigmoidal type stress-strain curves with a distinct plateau followed by pronounced anisotropic hardening. To evaluate the role of SLB formation on the local and global mechanical behavior of magnesium alloys, an integrated experimental/computational approach is presented. The computational part is developed based on custom subroutines implemented in a finite element method that combine a plasticity model with a stiffness degradation approach. Specific inputs from the characterization and testing measurements to the computational approach are discussed while the numerical results are validated against such available experimental information, confirming the existence of load drops and the intensification of strain accumulation at the time of SLB initiation.

Isochrone Fitting of Hubble Photometry in UV–VIS–IR Bands

Science.gov (United States)

Barker, Hallie; Paust, Nathaniel E. Q.

2018-03-01

We present new isochrone fits to color–magnitude diagrams from Hubble Space Telescope Wide Field Camera 3 and Advanced Camera for Surveys photometry of the globular clusters M13 and M80 in five bands from the ultraviolet to near-infrared. Isochrone fits to the photometry using the Dartmouth Stellar Evolution Program (DSEP), the PAdova and TRieste Stellar Evolution Code (PARSEC), and MESA Isochrones and Stellar Tracks (MIST) are examined to study the isochrone morphology. Additionally, cluster ages, extinctions, and distances are found from the visible-infrared color–magnitude diagrams. We conduct careful qualitative analysis on the inconsistencies of the fits across twelve color combinations of the five observed bands, and find that the (F606W‑F814W) color generally produces very good fits, but that there are large discrepancies when the data is fit using colors including UV bands for all three models. We also find that the best fits in the UV are achieved using MIST isochrones, but that they require metallicities that are lower than the other two models, as well published spectroscopic values. Finally, we directly compare DSEP and PARSEC by performing isochrone-isochrone fitting, and find that, for globular cluster aged populations, similar appearing PARSEC isochrones are on average 1.5 Gyr younger than DSEP isochrones. We find that the two models become less discrepant at lower metallicities.

A numerical model for adiabatic shear bands with application to a thick-walled cylinder in 304 stainless steel

International Nuclear Information System (INIS)

Liu, Mingtao; Li, Yongchi; Hu, Xiuzhang; Hu, Haibo

2014-01-01

The formation of an adiabatic shear band (ASB) experiences three stages: stable plastic flow, nucleation and a fluid-like stage. For different stages, the microstructures of the material undergo great changes. The mechanical behavior of the material in each stage has its own unique characteristics. To describe these characteristics, a multi-stage model for the shear band is proposed. For the stable plastic flow stage, a modified adiabatic J–C constitutive relationship is used. For the nucleation stage, the effects of work hardening and temperature softening are described by a power function of plastic strain. A Newtonian fluid model is used for the fluid-like stage. The formation of a shear band is an instability process. Various defects in the material are perturbation sources, which change the local yield stress. To describe the disturbances, a probability factor is introduced into the macroscopic constitutive relationship. The yield stress in the material is assumed to obey a Gaussian distribution. The multi-stage model combined with a probability factor is applied to simulate the rupture of thick-walled cylinder in 304 Stainless Steel (304SS). A close agreement is found between the simulation and experimental results, such as the failure mechanism, shear band spacing and propagating velocity of the shear band. By combining the experimental results with the simulation results, the importance of the nucleation stage is emphasized. (paper)

Decreasing patient identification band errors by standardizing processes.

Science.gov (United States)

Walley, Susan Chu; Berger, Stephanie; Harris, Yolanda; Gallizzi, Gina; Hayes, Leslie

2013-04-01

Patient identification (ID) bands are an essential component in patient ID. Quality improvement methodology has been applied as a model to reduce ID band errors although previous studies have not addressed standardization of ID bands. Our specific aim was to decrease ID band errors by 50% in a 12-month period. The Six Sigma DMAIC (define, measure, analyze, improve, and control) quality improvement model was the framework for this study. ID bands at a tertiary care pediatric hospital were audited from January 2011 to January 2012 with continued audits to June 2012 to confirm the new process was in control. After analysis, the major improvement strategy implemented was standardization of styles of ID bands and labels. Additional interventions included educational initiatives regarding the new ID band processes and disseminating institutional and nursing unit data. A total of 4556 ID bands were audited with a preimprovement ID band error average rate of 9.2%. Significant variation in the ID band process was observed, including styles of ID bands. Interventions were focused on standardization of the ID band and labels. The ID band error rate improved to 5.2% in 9 months (95% confidence interval: 2.5-5.5; P error rates. This decrease in ID band error rates was maintained over the subsequent 8 months.

Optical Conductivity in a Two-Dimensional Extended Hubbard Model for an Organic Dirac Electron System α-(BEDT-TTF2I3

Directory of Open Access Journals (Sweden)

Daigo Ohki

2018-03-01

Full Text Available The optical conductivity in the charge order phase is calculated in the two-dimensional extended Hubbard model describing an organic Dirac electron system α -(BEDT-TTF 2 I 3 using the mean field theory and the Nakano-Kubo formula. Because the interband excitation is characteristic in a two-dimensional Dirac electron system, a peak structure is found above the charge order gap. It is shown that the peak structure originates from the Van Hove singularities of the conduction and valence bands, where those singularities are located at a saddle point between two Dirac cones in momentum space. The frequency of the peak structure exhibits drastic change in the vicinity of the charge order transition.

Development and testing of Band 10 receivers for the ALMA project

Energy Technology Data Exchange (ETDEWEB)

Uzawa, Y., E-mail: y.uzawa@nao.ac.jp [National Astronomical Observatory, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Fujii, Y.; Gonzalez, A.; Kaneko, K.; Kroug, M.; Kojima, T.; Kuroiwa, K.; Miyachi, A. [National Astronomical Observatory, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Saito, S.; Makise, K.; Wang, Z. [National Institute of Information and Telecommunications Technology, 588-2 Iwaoka, Iwaoka-cho, Kobe, Hyogo 651-2492 (Japan); Asayama, S. [Joint ALMA Observatory, Alonso de Cordova 3107, Vitacura, Santiago (Chile)

2013-11-15

Highlights: •The ALMA Band 10 (787–950 GHz) SIS receivers have been developed. •The complex conductivity of NbTiN was measured by a THz-TDS for the mixer design. •Tens of Band 10 receivers have been produced and their performance was quite well. •The best achieved receiver noise temperature was 125 K corresponding to 3hf/k{sub B}. •Band 10 receiver installed in the ALMA antenna captured astronomical signals. -- Abstract: The production model of a dual polarization heterodyne receiver for the Atacama Large Millimeter/submillimteter Array (ALMA) telescope has been developed to operate in the 787–950 GHz frequency band. The receiver uses two double sideband (DSB) waveguide mixers with Nb/AlOx/Nb tunnel junctions and NbTiN/SiO{sub 2}/Al microstrip tuning circuits on quartz substrate. A terahertz time domain spectrometer was used to characterize our NbTiN film for the tuning circuit design, which revealed that the complex conductivity of the film is described by the Mattis-Bardeen theory including a finite scattering time of 15 fs and a superconducting gap with a gap ratio 2Δ/k{sub B}T{sub C} ∼ 4.0. Tens of these receivers (out of the total production number of 73) have been successfully produced, and their performance is well within the stringent ALMA requirements. The best achieved DSB receiver noise temperature is 125 K, corresponding to about 3hf/k{sub B} for 4 K operation. One of Band 10 receivers has successfully been installed in the ALMA antenna for a test observation.

A new thermal conductivity model for nanofluids

Energy Technology Data Exchange (ETDEWEB)

Koo, Junemoo; Kleinstreuer, Clement [Department of Mechanical and Aerospace Engineering (United States)], E-mail: ck@eos.ncsu.edu

2004-12-15

In a quiescent suspension, nanoparticles move randomly and thereby carry relatively large volumes of surrounding liquid with them. This micro-scale interaction may occur between hot and cold regions, resulting in a lower local temperature gradient for a given heat flux compared with the pure liquid case. Thus, as a result of Brownian motion, the effective thermal conductivity, k{sub eff}, which is composed of the particles' conventional static part and the Brownian motion part, increases to result in a lower temperature gradient for a given heat flux. To capture these transport phenomena, a new thermal conductivity model for nanofluids has been developed, which takes the effects of particle size, particle volume fraction and temperature dependence as well as properties of base liquid and particle phase into consideration by considering surrounding liquid traveling with randomly moving nanoparticles.The strong dependence of the effective thermal conductivity on temperature and material properties of both particle and carrier fluid was attributed to the long impact range of the interparticle potential, which influences the particle motion. In the new model, the impact of Brownian motion is more effective at higher temperatures, as also observed experimentally. Specifically, the new model was tested with simple thermal conduction cases, and demonstrated that for a given heat flux, the temperature gradient changes significantly due to a variable thermal conductivity which mainly depends on particle volume fraction, particle size, particle material and temperature. To improve the accuracy and versatility of the k{sub eff}model, more experimental data sets are needed.

Determination of band offsets at GaN/single-layer MoS2 heterojunction

KAUST Repository

Tangi, Malleswararao

2016-07-25

We report the band alignment parameters of the GaN/single-layer (SL) MoS2 heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS2/c-sapphire. We confirm that the MoS2 is an SL by measuring the separation and position of room temperature micro-Raman E1 2g and A1 g modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS2 heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS2 and GaN. The valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.

Determination of band offsets at GaN/single-layer MoS2 heterojunction

KAUST Repository

Tangi, Malleswararao; Mishra, Pawan; Ng, Tien Khee; Hedhili, Mohamed N.; Janjua, Bilal; Alias, Mohd Sharizal; Anjum, Dalaver H.; Tseng, Chien-Chih; Shi, Yumeng; Joyce, Hannah J.; Li, Lain-Jong; Ooi, Boon S.

2016-01-01

We report the band alignment parameters of the GaN/single-layer (SL) MoS2 heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS2/c-sapphire. We confirm that the MoS2 is an SL by measuring the separation and position of room temperature micro-Raman E1 2g and A1 g modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS2 heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS2 and GaN. The valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.

Band gap tuning of amorphous Al oxides by Zr alloying

Energy Technology Data Exchange (ETDEWEB)

Canulescu, S., E-mail: stec@fotonik.dtu.dk; Schou, J. [Department of Photonics Engineering, Technical University of Denmark, 4000 Roskilde (Denmark); Jones, N. C.; Hoffmann, S. V. [ISA, Department of Physics and Astronomy, Aarhus University, 8000 Aarhus (Denmark); Borca, C. N.; Piamonteze, C. [Swiss Light Source, Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Rechendorff, K.; Nielsen, L. P.; Almtoft, K. P. [Danish Technological Institute, Kongsvang Alle 29, 8000 Aarhus (Denmark); Gudla, V. C.; Bordo, K.; Ambat, R. [Department of Mechanical Engineering, Technical University of Denmark, 2800 Kgs-Lyngby (Denmark)

2016-08-29

The optical band gap and electronic structure of amorphous Al-Zr mixed oxides with Zr content ranging from 4.8 to 21.9% were determined using vacuum ultraviolet and X-ray absorption spectroscopy. The light scattering by the nano-porous structure of alumina at low wavelengths was estimated based on the Mie scattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on the Zr content deviates from linearity and decreases from 7.3 eV for pure anodized Al{sub 2}O{sub 3} to 6.45 eV for Al-Zr mixed oxides with a Zr content of 21.9%. With increasing Zr content, the conduction band minimum changes non-linearly as well. Fitting of the energy band gap values resulted in a bowing parameter of ∼2 eV. The band gap bowing of the mixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction band minimum of anodized Al{sub 2}O{sub 3}.

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

Band to Band Tunneling (BBT) Induced Leakage Current Enhancement in Irradiated Fully Depleted SOI Devices

Science.gov (United States)

Adell, Phillipe C.; Barnaby, H. J.; Schrimpf, R. D.; Vermeire, B.

2007-01-01

We propose a model, validated with simulations, describing how band-to-band tunneling (BBT) affects the leakage current degradation in some irradiated fully-depleted SOI devices. The dependence of drain current on gate voltage, including the apparent transition to a high current regime is explained.

Model calculation of thermal conductivity in antiferromagnets

Energy Technology Data Exchange (ETDEWEB)

Mikhail, I.F.I., E-mail: ifi_mikhail@hotmail.com; Ismail, I.M.M.; Ameen, M.

2015-11-01

A theoretical study is given of thermal conductivity in antiferromagnetic materials. The study has the advantage that the three-phonon interactions as well as the magnon phonon interactions have been represented by model operators that preserve the important properties of the exact collision operators. A new expression for thermal conductivity has been derived that involves the same terms obtained in our previous work in addition to two new terms. These two terms represent the conservation and quasi-conservation of wavevector that occur in the three-phonon Normal and Umklapp processes respectively. They gave appreciable contributions to the thermal conductivity and have led to an excellent quantitative agreement with the experimental measurements of the antiferromagnet FeCl{sub 2}. - Highlights: • The Boltzmann equations of phonons and magnons in antiferromagnets have been studied. • Model operators have been used to represent the magnon–phonon and three-phonon interactions. • The models possess the same important properties as the exact operators. • A new expression for the thermal conductivity has been derived. • The results showed a good quantitative agreement with the experimental data of FeCl{sub 2}.

Magnetic Chern bands and triplon Hall effect in an extended Shastry-Sutherland model

Science.gov (United States)

Malki, M.; Schmidt, K. P.

2017-05-01

We study topological properties of one-triplon bands in an extended Shastry-Sutherland model relevant for the frustrated quantum magnet SrCu2(BO3)2 . To this end perturbative continuous unitary transformations are applied about the isolated dimer limit allowing us to calculate the one-triplon dispersion up to high order in various couplings including intra- and interdimer Dzyaloshinskii-Moriya interactions and a general uniform magnetic field. We determine the Berry curvature and the Chern number of the different one-triplon bands. We demonstrate the occurrence of Chern numbers ±1 and ±2 for the case that two components of the magnetic field are finite. Finally, we also calculate the triplon Hall effect arising at finite temperatures.

Band gap tuning of amorphous Al oxides by Zr alloying

DEFF Research Database (Denmark)

Canulescu, Stela; Jones, N. C.; Borca, C. N.

2016-01-01

minimum changes non-linearly as well.Fitting of the energy band gap values resulted in a bowing parameter of 2 eV. The band gap bowing of themixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction bandminimum of anodized Al2O3.......The optical band gap and electronic structure of amorphous Al-Zr mixed oxides, with Zr content ranging from4.8 to 21.9% were determined using vacuum ultraviolet (VUV) and X-ray absorption spectroscopy (XAS). Thelight scattering by the nano-porous structure of alumina at low wavelengths...... was estimated based on the Miescattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on Zr content deviatesfrom linearity and decreases from 7.3 eV for pure anodized Al2O3 to 6.45 eV for Al-Zr mixed oxide with Zrcontent of 21.9%. With increasing Zr content, the conduction band...

Study of gap conductance model for thermo mechanical fully coupled finite element model

International Nuclear Information System (INIS)

Kim, Hyo Cha; Yang, Yong Sik; Kim, Dae Ho; Bang, Je Geon; Kim, Sun Ki; Koo, Yang Hyun

2012-01-01

A light water reactor (LWR) fuel rod consists of zirconium alloy cladding and uranium dioxide pellets, with a slight gap between them. Therefore, the mechanical integrity of zirconium alloy cladding is the most critical issue, as it is an important barrier for fission products released into the environment. To evaluate the stress and strain of the cladding during operation, fuel performance codes with a one-dimensional (1D) approach have been reported since the 1970s. However, it is difficult for a 1D model to simulate the stress and strain of the cladding accurately owing to a lack of degree of freedom. A LWR fuel performance code should include thermo-mechanical coupled model owing to the existence of the fuel-cladding gap. Generally, the gap that is filled with helium gas results in temperature drop along radius direction. The gap conductance that determines temperature gradient within the gap is very sensitive to gap thickness. For instance, once the gap size increases up to several microns in certain region, difference of surface temperatures increases up to 100 Kelvin. Therefore, iterative thermo-mechanical coupled analysis is required to solve temperature distribution throughout pellet and cladding. Consequently, the Finite Element (FE) module, which can simulate a higher degree of freedom numerically, is an indispensable requirement to understand the thermomechanical behavior of cladding. FRAPCON-3, which is reliable performance code, has iterative loop for thermo-mechanical coupled calculation to solve 1D gap conductance model. In FEMAXI-III, 1D thermal analysis module and FE module for stress-strain analysis were separated. 1D thermal module includes iterative analysis between them. DIONISIO code focused on thermal contact model as function of surface roughness and contact pressure when the gap is closed. In previous works, gap conductance model has been developed only for 1D model or hybrid model (1D and FE). To simulate temperature, stress and strain

Modeling and analysis of renewable energy obligations and technology bandings in the UK electricity market

International Nuclear Information System (INIS)

Gürkan, Gül; Langestraat, Romeo

2014-01-01

In the UK electricity market, generators are obliged to produce part of their electricity with renewable energy resources in accordance with the Renewable Obligation Order. Since 2009 technology banding has been added, meaning that different technologies are rewarded with a different number of certificates. We analyze these two different renewable obligation policies in a mathematical representation of an electricity market with random availabilities of renewable generation outputs and random electricity demand. We also present another, alternative, banding policy. We provide revenue adequate pricing schemes for the three obligation policies. We carry out a simulation study via sampling. A key finding is that the UK banding policy cannot guarantee that the original obligation target is met, hence potentially resulting in more pollution. Our alternative provides a way to make sure that the target is met while supporting less established technologies, but it comes with a significantly higher consumer price. Furthermore, as an undesirable side effect, we observe that a cost reduction in a technology with a high banding (namely offshore wind) leads to more CO 2 emissions under the UK banding policy and to higher consumer prices under the alternative banding policy. - Highlights: • We model and analyze three renewable obligation policies in a mathematical framework. • We provide revenue adequate pricing schemes for the three policies. • We carry out a simulation study via sampling. • The UK policy cannot guarantee that the original obligation target is met. • Cost reductions can lead to more pollution or higher prices under banding policies

Evaluation of SAR in a human body model due to wireless power transmission in the 10 MHz band.

Science.gov (United States)

Laakso, Ilkka; Tsuchida, Shogo; Hirata, Akimasa; Kamimura, Yoshitsugu

2012-08-07

This study discusses a computational method for calculating the specific absorption rate (SAR) due to a wireless power transmission system in the 10 MHz frequency band. A two-step quasi-static method comprised of the method of moments and the scalar potential finite-difference method are proposed. The applicability of the quasi-static approximation for localized exposure in this frequency band is discussed by comparing the SAR in a lossy dielectric cylinder computed with a full-wave electromagnetic analysis and the quasi-static approximation. From the computational results, the input impedance of the resonant coils was affected by the existence of the cylinder. On the other hand, the magnetic field distribution in free space and considering the cylinder and an impedance matching circuit were in good agreement; the maximum difference in the amplitude of the magnetic field was 4.8%. For a cylinder-coil distance of 10 mm, the difference between the peak 10 g averaged SAR in the cylinder computed with the full-wave electromagnetic method and our quasi-static method was 7.8%. These results suggest that the quasi-static approach is applicable for conducting the dosimetry of wireless power transmission in the 10 MHz band. With our two-step quasi-static method, the SAR in the anatomically based model was computed for different exposure scenarios. From those computations, the allowable input power satisfying the limit of a peak 10 g averaged SAR of 2.0 W kg(-1) was 830 W in the worst case exposure scenario with a coil positioned at a distance of 30 mm from the chest.

Thermal conductivity model of vibro-packed fuel

International Nuclear Information System (INIS)

Yeon Soo, Kim

2001-01-01

In an effort to dispose of excess weapons grade plutonium accumulated in the cold war era in the United States and the Russian Federation, one method currently under investigation is the conversion of the plutonium into mixed oxide (MOX) reactor fuel for LWRs and fast reactors in the Russian Federation. A fuel option already partly developed at the Research Institute of Atomic Reactors (RIAR) in Dimitrovgrad is that of vibro-packed MOX. Fuel rod fabrication using powder vibro-packing is attractive because it includes neither a process too complex to operate in glove boxes (or remotely), nor a waste-producing step necessary for the conventional pellet rod fabrication. However, because of its loose bonding between fuel particles at the beginning of life, vibro-packed MOX fuel has a somewhat less effective thermal conductivity than fully sintered pellet fuel, and undergoes more restructuring. Helium would also likely be pressurized in vibro-packed MOX fuel rods for LWRs to enhance initial fuel thermal conductivity. The combination of these two factors complicates development of an accurate thermal conductivity model. But clearly in order to predict fuel thermomechanical responses during irradiation of vibro-packed MOX fuel, fuel thermal conductivity must be known. The Vibropac fuel of interest in this study refers the fuel that is compacted with irregular fragments of mixed oxide fuel. In this paper, the thermal-conductivity models in the literature that dealt with relatively similar situations to the present case are examined. Then, the best model is selected based on accuracy of prediction and applicability. Then, the selected model is expanded to fit the various situations of interest. (author)

Numerical Modeling of Electrical Contact Conductance of Rough Bodies

Directory of Open Access Journals (Sweden)

M. V. Murashov

2015-01-01

Full Text Available Since the beginning of the 20th century to the present time, efforts have been made to develop a model of the electrical contact conductance. The development of micro- and nanotechnologies make contact conductance problem more essential. To conduct borrowing from a welldeveloped thermal contact conductance models on the basis of thermal and electrical conductivity analogy is often not possible due to a number of fundamental differences. While some 3Dmodels of rough bodies deformation have been developed in one way or another, a 3D-model of the electrical conductance through rough bodies contact is still not. A spatial model of electrical contact of rough bodies is proposed, allows one to calculate the electrical contact conductance as a function of the contact pressure. Representative elements of the bodies are parallelepipeds with deterministic roughness on the contacting surfaces. First the non-linear elastic-plastic deformation of rough surface under external pressure is solved using the finite element software ANSYS. Then the solution of electrostatic problem goes on the same finite element mesh. Aluminum AD1 is used as the material of the contacting bodies with properties that account for cold work hardening of the surface. The numerical model is built within the continuum mechanics and nanoscale effects are not taken into account. The electrical contact conductance was calculated on the basis of the concept of electrical resistance of the model as the sum of the electrical resistances of the contacting bodies and the contact itself. It was assumed that there is no air in the gap between the bodies. The dependence of the electrical contact conductance on the contact pressure is calculated as well as voltage and current density distributions in the contact bodies. It is determined that the multi-asperity contact mode, adequate to real roughness, is achieved at pressures higher than 3MPa, while results within the single contact spot are

Evaluation of Soft Tissue Sarcoma Tumors Electrical Conductivity Anisotropy Using Diffusion Tensor Imaging for Numerical Modeling on Electroporation

Directory of Open Access Journals (Sweden)

Ghazikhanlou-sani K.

2016-06-01

Full Text Available Introduction: There is many ways to assessing the electrical conductivity anisotropy of a tumor. Applying the values of tissue electrical conductivity anisotropy is crucial in numerical modeling of the electric and thermal field distribution in electroporation treatments. This study aims to calculate the tissues electrical conductivity anisotropy in patients with sarcoma tumors using diffusion tensor imaging technique. Materials and Method: A total of 3 subjects were involved in this study. All of patients had clinically apparent sarcoma tumors at the extremities. The T1, T2 and DTI images were performed using a 3-Tesla multi-coil, multi-channel MRI system. The fractional anisotropy (FA maps were performed using the FSL (FMRI software library software regarding the DTI images. The 3D matrix of the FA maps of each area (tumor, normal soft tissue and bone/s was reconstructed and the anisotropy matrix was calculated regarding to the FA values. Result: The mean FA values in direction of main axis in sarcoma tumors were ranged between 0.475–0.690. With assumption of isotropy of the electrical conductivity, the FA value of electrical conductivity at each X, Y and Z coordinate axes would be equal to 0.577. The gathered results showed that there is a mean error band of 20% in electrical conductivity, if the electrical conductivity anisotropy not concluded at the calculations. The comparison of FA values showed that there is a significant statistical difference between the mean FA value of tumor and normal soft tissues (P<0.05. Conclusion: DTI is a feasible technique for the assessment of electrical conductivity anisotropy of tissues. It is crucial to quantify the electrical conductivity anisotropy data of tissues for numerical modeling of electroporation treatments.

Quantum conductance of carbon nanotubes in a wide energy range

International Nuclear Information System (INIS)

Zhang, Yong

2015-01-01

The differential conductance of armchair and zigzag carbon nanotubes (CNTs) in a wide energy range has been numerically calculated by using the tight-binding model and the Green’s function method. The effects of the contact coupling between CNTs and electrodes on conductance have been explored. The ballistic conductance is proportional to the band numbers and has a ladder-like feature. As the increase of the contact coupling, the conductance oscillations appear and they are robust against the coupling. More importantly, on the first step of the conductance ladder, the armchair CNTs have two quasi-periodic conductance oscillations, i.e. a rapid conductance oscillation superimposed on a slow fluctuation background; while the zigzag CNTs have only one conductance oscillation. But on the second conductance step, all CNTs have two quasi-periodic conductance oscillations. The physical origin of the conductance oscillations has been revealed

Energy correlations for mixed rotational bands

International Nuclear Information System (INIS)

Doessing, T.

1985-01-01

A schematic model for the mixing of rotational bands above the yrast line in well deformed nuclei is considered. Many-particle configurations of a rotating mean field form basis bands, and these are subsequently mixed due to a two body residual interaction. The energy interval over which a basis band is spread out increases with increasing excitation energy above the yrast line. Conversely, the B(E2) matrix element for rotational decay out of one of the mixed band states is spread over an interval which is predicted to become more narrow with increasing excitation energy. Finally, the implication of band mixing for γ-ray energy correlations is briefly discussed. (orig.)

Retrospective biodosimetry with small tooth enamel samples using K-Band and X-Band

International Nuclear Information System (INIS)

Gomez, Jorge A.; Kinoshita, Angela; Leonor, Sergio J.; Belmonte, Gustavo C.; Baffa, Oswaldo

2011-01-01

In an attempt to make the in vitro electron spin resonance (ESR) retrospective dosimetry of the tooth enamel a lesser invasive method, experiments using X-Band and K-Band were performed, aiming to determine conditions that could be used in cases of accidental exposures. First, a small prism from the enamel was removed and ground with an agate mortar and pestle until particles reach a diameter of approximately less than 0.5 mm. This enamel extraction process resulted in lower signal artifact compared with the direct enamel extraction performed with a diamond burr abrasion. The manual grinding of the enamel does not lead to any induced ESR signal artifact, whereas the use of a diamond burr at low speed produces a signal artifact equivalent to the dosimetric signal induced by a dose of 500 mGy of gamma irradiation. A mass of 25 mg of enamel was removed from a sound molar tooth previously irradiated in vitro with a dose of 100 mGy. This amount of enamel was enough to detect the dosimetric signal in a standard X-Band spectrometer. However using a K-Band spectrometer, samples mass between 5 and 10 mg were sufficient to obtain the same sensitivity. An overall evaluation of the uncertainties involved in the process in this and other dosimetric assessments performed at our laboratory indicates that it is possible at K-Band to estimate a 100 mGy dose with 25% accuracy. In addition, the use of K-Band also presented higher sensitivity and allowed the use of smaller sample mass in comparison with X-Band. Finally, the restoration process performed on a tooth after extraction of the 25 mg of enamel is described. This was conducted by dental treatment using photopolymerizable resin which enabled complete recovery of the tooth from the functional and aesthetic viewpoint showing that this procedure can be minimally invasive.

Retrospective biodosimetry with small tooth enamel samples using K-Band and X-Band

Energy Technology Data Exchange (ETDEWEB)

Gomez, Jorge A. [Departamento de Fisica, FFCLRP, Universidade de Sao Paulo, 14040-901 Ribeirao Preto, Sao Paulo (Brazil); Kinoshita, Angela [Departamento de Fisica, FFCLRP, Universidade de Sao Paulo, 14040-901 Ribeirao Preto, Sao Paulo (Brazil); Universidade Sagrado Coracao - USC, 17011-160 Bauru, Sao Paulo (Brazil); Leonor, Sergio J. [Departamento de Fisica, FFCLRP, Universidade de Sao Paulo, 14040-901 Ribeirao Preto, Sao Paulo (Brazil); Belmonte, Gustavo C. [Universidade Sagrado Coracao - USC, 17011-160 Bauru, Sao Paulo (Brazil); Baffa, Oswaldo, E-mail: baffa@usp.br [Departamento de Fisica, FFCLRP, Universidade de Sao Paulo, 14040-901 Ribeirao Preto, Sao Paulo (Brazil)

2011-09-15

In an attempt to make the in vitro electron spin resonance (ESR) retrospective dosimetry of the tooth enamel a lesser invasive method, experiments using X-Band and K-Band were performed, aiming to determine conditions that could be used in cases of accidental exposures. First, a small prism from the enamel was removed and ground with an agate mortar and pestle until particles reach a diameter of approximately less than 0.5 mm. This enamel extraction process resulted in lower signal artifact compared with the direct enamel extraction performed with a diamond burr abrasion. The manual grinding of the enamel does not lead to any induced ESR signal artifact, whereas the use of a diamond burr at low speed produces a signal artifact equivalent to the dosimetric signal induced by a dose of 500 mGy of gamma irradiation. A mass of 25 mg of enamel was removed from a sound molar tooth previously irradiated in vitro with a dose of 100 mGy. This amount of enamel was enough to detect the dosimetric signal in a standard X-Band spectrometer. However using a K-Band spectrometer, samples mass between 5 and 10 mg were sufficient to obtain the same sensitivity. An overall evaluation of the uncertainties involved in the process in this and other dosimetric assessments performed at our laboratory indicates that it is possible at K-Band to estimate a 100 mGy dose with 25% accuracy. In addition, the use of K-Band also presented higher sensitivity and allowed the use of smaller sample mass in comparison with X-Band. Finally, the restoration process performed on a tooth after extraction of the 25 mg of enamel is described. This was conducted by dental treatment using photopolymerizable resin which enabled complete recovery of the tooth from the functional and aesthetic viewpoint showing that this procedure can be minimally invasive.

Thermal conductivity of graphene nanoribbons under shear deformation: A molecular dynamics simulation

Science.gov (United States)

Zhang, Chao; Hao, Xiao-Li; Wang, Cui-Xia; Wei, Ning; Rabczuk, Timon

2017-01-01

Tensile strain and compress strain can greatly affect the thermal conductivity of graphene nanoribbons (GNRs). However, the effect of GNRs under shear strain, which is also one of the main strain effect, has not been studied systematically yet. In this work, we employ reverse nonequilibrium molecular dynamics (RNEMD) to the systematical study of the thermal conductivity of GNRs (with model size of 4 nm × 15 nm) under the shear strain. Our studies show that the thermal conductivity of GNRs is not sensitive to the shear strain, and the thermal conductivity decreases only 12–16% before the pristine structure is broken. Furthermore, the phonon frequency and the change of the micro-structure of GNRs, such as band angel and bond length, are analyzed to explore the tendency of thermal conductivity. The results show that the main influence of shear strain is on the in-plane phonon density of states (PDOS), whose G band (higher frequency peaks) moved to the low frequency, thus the thermal conductivity is decreased. The unique thermal properties of GNRs under shear strains suggest their great potentials for graphene nanodevices and great potentials in the thermal managements and thermoelectric applications. PMID:28120921

Strain effects on the optical conductivity of gapped graphene in the presence of Holstein phonons beyond the Dirac cone approximation

Energy Technology Data Exchange (ETDEWEB)

Yarmohammadi, Mohsen, E-mail: m.yarmohammadi69@gmail.com [Young Researchers and Elite Club, Kermanshah Branch, Islamic Azad University, Kermanshah (Iran, Islamic Republic of)

2016-08-15

In this paper we study the optical conductivity and density of states (DOS) of doped gapped graphene beyond the Dirac cone approximation in the presence of electron-phonon (e-ph) interaction under strain, i.e., within the framework of a full π-band Holstein model, by using the Kubo linear response formalism that is established upon the retarded self-energy. A new peak in the optical conductivity for a large enough e-ph interaction strength is found which is associated to transitions between the midgap states and the Van Hove singularities of the main π-band. Optical conductivity decreases with strain and at large strains, the system has a zero optical conductivity at low energies due to optically inter-band excitations through the limit of zero doping. As a result, the Drude weight changes with e-ph interaction, temperature and strain. Consequently, DOS and optical conductivity remains stable with temperature at low e-ph coupling strengths.

Strongly correlated impurity band superconductivity in diamond: X-ray spectroscopic evidence

Directory of Open Access Journals (Sweden)

G. Baskaran

2006-01-01

Full Text Available In a recent X-ray absorption study in boron doped diamond, Nakamura et al. have seen a well isolated narrow boron impurity band in non-superconducting samples and an additional narrow band at the chemical potential in a superconducting sample. We interpret the beautiful spectra as evidence for upper Hubbard band of a Mott insulating impurity band and an additional metallic 'mid-gap band' of a conducting 'self-doped' Mott insulator. This supports the basic framework of a recent theory of the present author of strongly correlated impurity band superconductivity (impurity band resonating valence bond, IBRVB theory in a template of a wide-gap insulator, with no direct involvement of valence band states.

Tracking- and Scintillation-Aware Channel Model for GEO Satellite to Land Mobile Terminals at Ku-Band

Directory of Open Access Journals (Sweden)

Ali M. Al-Saegh

2015-01-01

Full Text Available Recent advances in satellite to land mobile terminal services and technologies, which utilize high frequencies with directional antennas, have made the design of an appropriate model for land mobile satellite (LMS channels a necessity. This paper presents LMS channel model at Ku-band with features that enhance accuracy, comprehensiveness, and reliability. The effect of satellite tracking loss at different mobile terminal speeds is considered for directional mobile antenna systems, a reliable tropospheric scintillation model for an LMS scenario at tropical and temperate regions is presented, and finally a new quality indicator module for different modulation and coding schemes is included. The proposed extended LMS channel (ELMSC model is designed based on actual experimental measurements and can be applied to narrow- and wide-band signals at different regions and at different speeds and multichannel states. The proposed model exhibits lower root mean square error (RMSE and significant performance observation compared with the conventional model in terms of the signal fluctuations, fade depth, signal-to-noise ratio (SNR, and quality indicators accompanied for several transmission schemes.

A New Blind Pointing Model Improves Large Reflector Antennas Precision Pointing at Ka-Band (32 GHz)

Science.gov (United States)

Rochblatt, David J.

2009-01-01

The National Aeronautics and Space Administration (NASA), Jet Propulsion Laboratory (JPL)-Deep Space Network (DSN) subnet of 34-m Beam Waveguide (BWG) Antennas was recently upgraded with Ka-Band (32-GHz) frequency feeds for space research and communication. For normal telemetry tracking a Ka-Band monopulse system is used, which typically yields 1.6-mdeg mean radial error (MRE) pointing accuracy on the 34-m diameter antennas. However, for the monopulse to be able to acquire and lock, for special radio science applications where monopulse cannot be used, or as a back-up for the monopulse, high-precision open-loop blind pointing is required. This paper describes a new 4th order pointing model and calibration technique, which was developed and applied to the DSN 34-m BWG antennas yielding 1.8 to 3.0-mdeg MRE pointing accuracy and amplitude stability of 0.2 dB, at Ka-Band, and successfully used for the CASSINI spacecraft occultation experiment at Saturn and Titan. In addition, the new 4th order pointing model was used during a telemetry experiment at Ka-Band (32 GHz) utilizing the Mars Reconnaissance Orbiter (MRO) spacecraft while at a distance of 0.225 astronomical units (AU) from Earth and communicating with a DSN 34-m BWG antenna at a record high rate of 6-megabits per second (Mb/s).

Coexistence of spherical states with deformed and superdeformed bands in doubly magic 40Ca; A shell model challenge

International Nuclear Information System (INIS)

Caurier, E.; Nowacki, F.; Menendez, J.; Poves, A.

2007-02-01

Large scale shell model calculations, with dimensions reaching 10 9 , are carried out to describe the recently observed deformed (ND) and superdeformed (SD) bands based on the first and second excited 0 + states of 40 Ca at 3.35 MeV and 5.21 MeV respectively. A valence space comprising two major oscillator shells, sd and pf, can accommodate most of the relevant degrees of freedom of this problem. The ND band is dominated by configurations with four particles promoted to the pf-shell (4p-4h in short). The SD band by 8p-8h configurations. The ground state of 40 Ca is strongly correlated, but the closed shell still amounts to 65%. The energies of the bands are very well reproduced by the calculations. The out-band transitions connecting the SD band with other states are very small and depend on the details of the mixing among the different np-nh configurations, in spite of that, the calculation describes them reasonably. For the in-band transition probabilities along the SD band, we predict a fairly constant transition quadrupole moment Q 0 (t) ∼ 70 e fm 2 up to J=10, that decreases toward the higher spins. We submit also that the J=8 states of the deformed and superdeformed band are maximally mixed. (authors)

Coexistence of spherical states with deformed and superdeformed bands in doubly magic 40Ca: A shell-model challenge

International Nuclear Information System (INIS)

Caurier, E.; Nowacki, F.; Menendez, J.; Poves, A.

2007-01-01

Large-scale shell-model calculations, with dimensions reaching 10 9 , are carried out to describe the recently observed deformed (ND) and superdeformed (SD) bands based on the first and second excited 0 + states of 40 Ca at 3.35 and 5.21 MeV, respectively. A valence space comprising two major oscillator shells, sd and pf, can accommodate most of the relevant degrees of freedom of this problem. The ND band is dominated by configurations with four particles promoted to the pf shell (4p-4h in short). The SD band by 8p-8h configurations. The ground state of 40 Ca is strongly correlated, but the closed shell still amounts to 65%. The energies of the bands are very well reproduced by the calculations. The out-band transitions connecting the SD band with other states are very small and depend on the details of the mixing among the different np-nh configurations; in spite of that, the calculation describes them reasonably. For the in-band transition probabilities along the SD band, we predict a fairly constant transition quadrupole moment Q 0 (t)∼170 e fm 2 up to J=10 that decreases toward the higher spins. We submit also that the J=8 states of the deformed and superdeformed bands are maximally mixed

Cross-band noise model refinement for transform domain Wyner–Ziv video coding

DEFF Research Database (Denmark)

Huang, Xin; Forchhammer, Søren

2012-01-01

TDWZ video coding trails that of conventional video coding solutions, mainly due to the quality of side information, inaccurate noise modeling and loss in the final coding step. The major goal of this paper is to enhance the accuracy of the noise modeling, which is one of the most important aspects...... influencing the coding performance of DVC. A TDWZ video decoder with a novel cross-band based adaptive noise model is proposed, and a noise residue refinement scheme is introduced to successively update the estimated noise residue for noise modeling after each bit-plane. Experimental results show...... that the proposed noise model and noise residue refinement scheme can improve the rate-distortion (RD) performance of TDWZ video coding significantly. The quality of the side information modeling is also evaluated by a measure of the ideal code length....

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.

Dispersive Sachdev-Ye-Kitaev model: Band structure and quantum chaos

Science.gov (United States)

Zhang, Pengfei

2017-11-01

The Sachdev-Ye-Kitaev (SYK) model is a concrete model for a non-Fermi liquid with maximally chaotic behavior in (0 +1 ) dimensions. In order to gain some insights into real materials in higher dimensions where fermions could hop between different sites, here we consider coupling a SYK lattice by constant hopping. We call this the dispersive SYK model. Focusing on (1 +1 ) -dimensional homogeneous hopping, by either tuning the temperature or the relative strength of the random interaction (hopping) and constant hopping, we find a crossover between a dispersive metal to an incoherent metal, where the dynamic exponent z changes from 1 to ∞ . We study the crossover by calculating the spectral function, charge density correlator, and the Lyapunov exponent. We further find the Lyapunov exponent becomes larger when the chemical potential is tuned to approach a van Hove singularity because of the large density of states near the Fermi surface. The effect of the topological nontrivial bands is also discussed.

Dissepiments, density bands and signatures of thermal stress in Porites skeletons

Science.gov (United States)

DeCarlo, Thomas M.; Cohen, Anne L.

2017-09-01

The skeletons of many reef-building corals are accreted with rhythmic structural patterns that serve as valuable sclerochronometers. Annual high- and low-density band couplets, visible in X-radiographs or computed tomography scans, are used to construct age models for paleoclimate reconstructions and to track variability in coral growth over time. In some corals, discrete, anomalously high-density bands, called "stress bands," preserve information about coral bleaching. However, the mechanisms underlying the formation of coral skeletal density banding remain unclear. Dissepiments—thin, horizontal sheets of calcium carbonate accreted by the coral to support the living polyp—play a key role in the upward growth of the colony. Here, we first conducted a vital staining experiment to test whether dissepiments were accreted with lunar periodicity in Porites coral skeleton, as previously hypothesized. Over 6, 15, and 21 months, dissepiments consistently formed in a 1:1 ratio to the number of full moons elapsed over each study period. We measured dissepiment spacing to reconstruct multiple years of monthly skeletal extension rates in two Porites colonies from Palmyra Atoll and in another from Palau that bleached in 1998 under anomalously high sea temperatures. Spacing between successive dissepiments exhibited strong seasonality in corals containing annual density bands, with narrow (wide) spacing associated with high (low) density, respectively. A high-density "stress band" accreted during the 1998 bleaching event was associated with anomalously low dissepiment spacing and missed dissepiments, implying that thermal stress disrupts skeletal extension. Further, uranium/calcium ratios increased within stress bands, indicating a reduction in the carbonate ion concentration of the coral's calcifying fluid under stress. Our study verifies the lunar periodicity of dissepiments, provides a mechanistic basis for the formation of annual density bands in Porites, and reveals the

The hierarchically organized splitting of chromosome bands into sub-bands analyzed by multicolor banding (MCB).

Science.gov (United States)

Lehrer, H; Weise, A; Michel, S; Starke, H; Mrasek, K; Heller, A; Kuechler, A; Claussen, U; Liehr, T

2004-01-01

To clarify the nature of chromosome sub-bands in more detail, the multicolor banding (MCB) probe-set for chromosome 5 was hybridized to normal metaphase spreads of GTG band levels at approximately 850, approximately 550, approximately 400 and approximately 300. It could be observed that as the chromosomes became shorter, more of the initial 39 MCB pseudo-colors disappeared, ending with 18 MCB pseudo-colored bands at the approximately 300-band level. The hierarchically organized splitting of bands into sub-bands was analyzed by comparing the disappearance or appearance of pseudo-color bands of the four different band levels. The regions to split first are telomere-near, centromere-near and in 5q23-->q31, followed by 5p15, 5p14, and all GTG dark bands in 5q apart from 5q12 and 5q32 and finalized by sub-band building in 5p15.2, 5q21.2-->q21.3, 5q23.1 and 5q34. The direction of band splitting towards the centromere or the telomere could be assigned to each band separately. Pseudo-colors assigned to GTG-light bands were resistant to band splitting. These observations are in concordance with the recently proposed concept of chromosome region-specific protein swelling. Copyright 2003 S. Karger AG, Basel

Wind tunnel tests of modified cross, hemisflo, and disk-gap-band parachutes with emphasis in the transonic range

Science.gov (United States)

Foughner, J. T., Jr.; Alexander, W. C.

1974-01-01

Transonic wind-tunnel studies were conducted with modified cross, hemisflo, and disk-gap-band parachute models in the wake of a cone-cylinder shape forebody. The basic cross design was modified with the addition of a circumferential constraining band at the lower edge of the canopy panels. The tests covered a Mach number range of 0.3 to 1.2 and a dynamic pressure range from 479 Newtons per square meter to 5746 Newtons per square meter. The parachute models were flexible textile-type structures and were tethered to a rigid forebody with a single flexible riser. Different size models of the modified cross and disk-gap-band canopies were tested to evaluate scale effects. Model reference diameters were 0.30, 0.61, and 1.07 meters (1.0, 2.0, and 3.5 ft) for the modified cross; and nominal diameters of 0.25 and 0.52 meter (0.83 and 1.7 ft) for the disk-gap-band; and 0.55 meter (1.8 ft) for the hemisflo. Reefing information is presented for the 0.61-meter-diameter cross and the 0.52-meter-diameter disk-gap-band. Results are presented in the form of the variation of steady-state average drag coefficient with Mach number. General stability characteristics of each parachute are discussed. Included are comments on canopy coning, spinning, and fluttering motions.

All-optical photonic band control in a quantum metamaterial

Energy Technology Data Exchange (ETDEWEB)

Felbacq, D.; Rousseau, E. [University of Montpellier, Laboratory Charles Coulomb UMR CNRS-UM 5221, Montpellier (France)

2017-09-15

Metamaterials made of periodic collections of dielectric nanorods are considered theoretically. When quantum resonators are embedded within the nanorods, one obtains a quantum metamaterial, whose electromagnetic properties depend upon the state of the quantum resonators. The theoretical model predicts that when the resonators are pumped and reach the inversion regime, the quantum metamaterial exhibits an all-optical switchable conduction band. The phenomenon can be described by considering the pole stucture of the scattering matrix of the metamaterial. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Evaluation of SAR in a human body model due to wireless power transmission in the 10 MHz band

International Nuclear Information System (INIS)

Laakso, Ilkka; Tsuchida, Shogo; Hirata, Akimasa; Kamimura, Yoshitsugu

2012-01-01

This study discusses a computational method for calculating the specific absorption rate (SAR) due to a wireless power transmission system in the 10 MHz frequency band. A two-step quasi-static method comprised of the method of moments and the scalar potential finite-difference method are proposed. The applicability of the quasi-static approximation for localized exposure in this frequency band is discussed by comparing the SAR in a lossy dielectric cylinder computed with a full-wave electromagnetic analysis and the quasi-static approximation. From the computational results, the input impedance of the resonant coils was affected by the existence of the cylinder. On the other hand, the magnetic field distribution in free space and considering the cylinder and an impedance matching circuit were in good agreement; the maximum difference in the amplitude of the magnetic field was 4.8%. For a cylinder–coil distance of 10 mm, the difference between the peak 10 g averaged SAR in the cylinder computed with the full-wave electromagnetic method and our quasi-static method was 7.8%. These results suggest that the quasi-static approach is applicable for conducting the dosimetry of wireless power transmission in the 10 MHz band. With our two-step quasi-static method, the SAR in the anatomically based model was computed for different exposure scenarios. From those computations, the allowable input power satisfying the limit of a peak 10 g averaged SAR of 2.0 W kg −1 was 830 W in the worst case exposure scenario with a coil positioned at a distance of 30 mm from the chest. (paper)

Band-selective filter in a zigzag graphene nanoribbon.

Science.gov (United States)

Nakabayashi, Jun; Yamamoto, Daisuke; Kurihara, Susumu

2009-02-13

Electric transport of a zigzag graphene nanoribbon through a steplike potential and a barrier potential is investigated by using the recursive Green's function method. In the case of the steplike potential, we demonstrate numerically that scattering processes obey a selection rule for the band indices when the number of zigzag chains is even; the electrons belonging to the "even" ("odd") bands are scattered only into the even (odd) bands so that the parity of the wave functions is preserved. In the case of the barrier potential, by tuning the barrier height to be an appropriate value, we show that it can work as the "band-selective filter", which transmits electrons selectively with respect to the indices of the bands to which the incident electrons belong. Finally, we suggest that this selection rule can be observed in the conductance by applying two barrier potentials.

Characterization of conducting polyaniline blends by Resonance Raman Spectroscopy

International Nuclear Information System (INIS)

Silva, Jose E. Pereira da; Temperini, Marcia L.A.; Torresi, Susana I. Cordoba de

2005-01-01

Raman and optical microscopy were used to investigate possible interactions between polyaniline (PANI) and different insulating polymers in conducting blends. Resonance Raman and optical micrographs were used to study the physical interaction in materials. Analysis Raman spectra was done investigating the relative intensity of bands at 574 and 607 cm -1 . A relationship between Raman bands and conductivity was also proposed. (author)

Ethane in Planetary and Cometary Atmospheres: Transmittance and Fluorescence Models of the nu7 Band at 3.3 Micrometers

Science.gov (United States)

Villanueva, G. L.; Mumma, M. J.; Magee-Sauer, K.

2011-01-01

Ethane and other hydrocarbon gases have strong rovibrational transitions in the 3.3 micron spectral region owing to C-H, CH2, and CH3 vibrational modes, making this spectral region prime for searching possible biomarker gases in extraterrestrial atmospheres (e.g., Mars, exoplanets) and organic molecules in comets. However, removing ethane spectral signatures from high-resolution terrestrial transmittance spectra has been imperfect because existing quantum mechanical models have been unable to reproduce the observed spectra with sufficient accuracy. To redress this problem, we constructed a line-by-line model for the n7 band of ethane (C2H6) and applied it to compute telluric transmittances and cometary fluorescence efficiencies. Our model considers accurate spectral parameters, vibration-rotation interactions, and a functional characterization of the torsional hot band. We integrated the new band model into an advanced radiative transfer code for synthesizing the terrestrial atmosphere (LBLRTM), achieving excellent agreement with transmittance data recorded against Mars using three different instruments located in the Northern and Southern hemispheres. The retrieved ethane abundances demonstrate the strong hemispheric asymmetry noted in prior surveys of volatile hydrocarbons. We also retrieved sensitive limits for the abundance of ethane on Mars. The most critical validation of the model was obtained by comparing simulations of C2H6 fluorescent emission with spectra of three hydrocarbon-rich comets: C/2004 Q2 (Machholz), 8P/Tuttle, and C/2007 W1 (Boattini). The new model accurately describes the complex emission morphology of the nu7 band at low rotational temperatures and greatly increases the confidence of the retrieved production rates (and rotational temperatures) with respect to previously available fluorescence models.

The effect of band Jahn-Teller distortion on the magnetoresistivity of manganites: a model study

International Nuclear Information System (INIS)

Rout, G C; Panda, Saswati; Behera, S N

2011-01-01

We present a model study of magnetoresistance through the interplay of magnetisation, structural distortion and external magnetic field for the manganite systems. The manganite system is described by the Hamiltonian which consists of the s-d type double exchange interaction, Heisenberg spin-spin interaction among the core electrons, and the static and dynamic band Jahn-Teller (JT) interaction in the e g band. The relaxation time of the e g electron is found from the imaginary part of the Green's function using the total Hamiltonian consisting of the interactions due to the electron and phonon. The calculated resistivity exhibits a peak in the pure JT distorted insulating phase separating the low temperature metallic ferromagnetic phase and the high temperature paramagnetic phase. The resistivity is suppressed with the increase of the external magnetic field. The e g electron band splitting and its effect on magnetoresistivity is reported here. (paper)

Microscopic description of the three major bands in transitional nuclei

International Nuclear Information System (INIS)

Pineda S, R.L.

1986-01-01

The author has extended the Coherent Phonon Model to the description of the three major bands in medium heavy transitional nuclei. The model assumes an axially symmetric deformed ground intrinsic state for the description of the low lying yrast levels of the ground band, while the excited bands are generated by intrinsic excitations of the ground band. Good angular momentum states are generated by the Peierls-Yoccoz angular momentum projection method

Band-to-band tunneling distance analysis in the heterogate electron–hole bilayer tunnel field-effect transistor

Energy Technology Data Exchange (ETDEWEB)

Padilla, J. L., E-mail: jose.padilladelatorre@epfl.ch [Nanoelectronic Devices Laboratory, École Polytechnique Fédérale de Lausanne, Lausanne CH-1015 (Switzerland); Departamento de Electrónica y Tecnología de los Computadores, Universidad de Granada, Avda. Fuentenueva s/n, 18071 Granada (Spain); Palomares, A. [Departamento de Matemática Aplicada, Universidad de Granada, Avda. Fuentenueva s/n, 18071 Granada (Spain); Alper, C.; Ionescu, A. M. [Nanoelectronic Devices Laboratory, École Polytechnique Fédérale de Lausanne, Lausanne CH-1015 (Switzerland); Gámiz, F. [Departamento de Electrónica y Tecnología de los Computadores, Universidad de Granada, Avda. Fuentenueva s/n, 18071 Granada (Spain)

2016-01-28

In this work, we analyze the behavior of the band-to-band tunneling distance between electron and hole subbands resulting from field-induced quantum confinement in the heterogate electron–hole bilayer tunnel field-effect transistor. We show that, analogously to the explicit formula for the tunneling distance that can be easily obtained in the semiclassical framework where the conduction and valence band edges are allowed states, an equivalent analytical expression can be derived in the presence of field-induced quantum confinement for describing the dependence of the tunneling distance on the body thickness and material properties of the channel. This explicit expression accounting for quantum confinement holds valid provided that the potential wells for electrons and holes at the top and bottom of the channel can be approximated by triangular profiles. Analytical predictions are compared to simulation results showing very accurate agreement.

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.

E- and W-band high-capacity hybrid fiber-wireless link

DEFF Research Database (Denmark)

Vegas Olmos, Juan José; Pang, Xiaodan; Tafur Monroy, Idelfonso

2014-01-01

In this paper we summarize the work conducted in our group in the area of E- and W-band optical high-capacity fiber-wireless links. We present performance evaluations of E- and W-band mm-wave signal generation using photonic frequency upconversion employing both VCSELs and ECLs, along with transm...... in mobile backhaul/fronthaul applications, dense distributed antenna systems and fiber-over-radio scenarios.......In this paper we summarize the work conducted in our group in the area of E- and W-band optical high-capacity fiber-wireless links. We present performance evaluations of E- and W-band mm-wave signal generation using photonic frequency upconversion employing both VCSELs and ECLs, along...... with transmission over different type of optical fibers and for a number of values for the wireless link distance. Hybrid wireless-optical links can be composed of mature and resilient technology available off-the-shelf, and provide functionalities that can add value to optical access networks, specifically...

Modeling of a Robust Confidence Band for the Power Curve of a Wind Turbine.

Science.gov (United States)

Hernandez, Wilmar; Méndez, Alfredo; Maldonado-Correa, Jorge L; Balleteros, Francisco

2016-12-07

Having an accurate model of the power curve of a wind turbine allows us to better monitor its operation and planning of storage capacity. Since wind speed and direction is of a highly stochastic nature, the forecasting of the power generated by the wind turbine is of the same nature as well. In this paper, a method for obtaining a robust confidence band containing the power curve of a wind turbine under test conditions is presented. Here, the confidence band is bound by two curves which are estimated using parametric statistical inference techniques. However, the observations that are used for carrying out the statistical analysis are obtained by using the binning method, and in each bin, the outliers are eliminated by using a censorship process based on robust statistical techniques. Then, the observations that are not outliers are divided into observation sets. Finally, both the power curve of the wind turbine and the two curves that define the robust confidence band are estimated using each of the previously mentioned observation sets.

Modeling conductive cooling for thermally stressed dairy cows.

Science.gov (United States)

Gebremedhin, Kifle G; Wu, Binxin; Perano, K

2016-02-01

Conductive cooling, which is based on direct contact between a cow lying down and a cooled surface (water mattress, or any other heat exchanger embedded under the bedding), allows heat transfer from the cow to the cooled surface, and thus alleviate heat stress of the cow. Conductive cooling is a novel technology that has the potential to reduce the consumption of energy and water in cooling dairy cows compared to some current practices. A three-dimensional conduction model that simulates cooling thermally-stressed dairy cows was developed. The model used a computational fluid dynamics (CFD) method to characterize the air-flow field surrounding the animal model. The flow field was obtained by solving the continuity and the momentum equations. The heat exchange between the animal and the cooled water mattress as well as between the animal and ambient air was determined by solving the energy equation. The relative humidity was characterized using the species transport equation. The conduction 3-D model was validated against experimental temperature data and the agreement was very good (average error is 4.4% and the range is 1.9-8.3%) for a mesh size of 1117202. Sensitivity analyses were conducted between heat losses (sensible and latent) with respect to air temperature, relative humidity, air velocity, and level of wetness of skin surface to determine which of the parameters affect heat flux more than others. Heat flux was more sensitive to air temperature and level of wetness of the skin surface and less sensitive to relative humidity. Copyright © 2016 Elsevier Ltd. All rights reserved.

Band Subset Selection for Hyperspectral Image Classification

Directory of Open Access Journals (Sweden)

Chunyan Yu

2018-01-01

Full Text Available This paper develops a new approach to band subset selection (BSS for hyperspectral image classification (HSIC which selects multiple bands simultaneously as a band subset, referred to as simultaneous multiple band selection (SMMBS, rather than one band at a time sequentially, referred to as sequential multiple band selection (SQMBS, as most traditional band selection methods do. In doing so, a criterion is particularly developed for BSS that can be used for HSIC. It is a linearly constrained minimum variance (LCMV derived from adaptive beamforming in array signal processing which can be used to model misclassification errors as the minimum variance. To avoid an exhaustive search for all possible band subsets, two numerical algorithms, referred to as sequential (SQ and successive (SC algorithms are also developed for LCMV-based SMMBS, called SQ LCMV-BSS and SC LCMV-BSS. Experimental results demonstrate that LCMV-based BSS has advantages over SQMBS.

Finite-range Coulomb gas models of banded random matrices and quantum kicked rotors.

Science.gov (United States)

Pandey, Akhilesh; Kumar, Avanish; Puri, Sanjay

2017-11-01

Dyson demonstrated an equivalence between infinite-range Coulomb gas models and classical random matrix ensembles for the study of eigenvalue statistics. We introduce finite-range Coulomb gas (FRCG) models via a Brownian matrix process, and study them analytically and by Monte Carlo simulations. These models yield new universality classes, and provide a theoretical framework for the study of banded random matrices (BRMs) and quantum kicked rotors (QKRs). We demonstrate that, for a BRM of bandwidth b and a QKR of chaos parameter α, the appropriate FRCG model has the effective range d=b^{2}/N=α^{2}/N, for large N matrix dimensionality. As d increases, there is a transition from Poisson to classical random matrix statistics.

Conductivity in transparent oxide semiconductors.

Science.gov (United States)

King, P D C; Veal, T D

2011-08-24

conductivity in TCOs. We discuss models that attempt to explain both the bulk and surface conductivity on the basis of bulk band structure features common across the TCOs, and compare these materials to other semiconductors. Finally, we briefly consider transparency in these materials, and its interplay with conductivity. Understanding this interplay, as well as the microscopic contenders for providing the conductivity of these materials, will prove essential to the future design and control of TCO semiconductors, and their implementation into novel multifunctional devices. © 2011 IOP Publishing Ltd

Determination of band offsets at GaN/single-layer MoS{sub 2} heterojunction

Energy Technology Data Exchange (ETDEWEB)

Tangi, Malleswararao; Mishra, Pawan; Ng, Tien Khee; Janjua, Bilal; Alias, Mohd Sharizal; Ooi, Boon S., E-mail: boon.ooi@kaust.edu.sa [Photonics Laboratory, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Hedhili, Mohamed Nejib; Anjum, Dalaver H. [Adavanced Nanofabrication Imaging and Characterization, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Tseng, Chien-Chih; Shi, Yumeng; Li, Lain-Jong [Physical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Joyce, Hannah J. [Department of Engineering, University of Cambridge, 9 JJ Thomson Avenue, Cambridge, Cambridgeshire CB3 0FA (United Kingdom)

2016-07-18

We report the band alignment parameters of the GaN/single-layer (SL) MoS{sub 2} heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS{sub 2}/c-sapphire. We confirm that the MoS{sub 2} is an SL by measuring the separation and position of room temperature micro-Raman E{sup 1}{sub 2g} and A{sup 1}{sub g} modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS{sub 2} heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS{sub 2} and GaN. The valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.

Coupling X-band dual-polarized mini-radars and hydro-meteorological forecast models: the HYDRORAD project

Directory of Open Access Journals (Sweden)

E. Picciotti

2013-05-01

Full Text Available Hydro-meteorological hazards like convective outbreaks leading to torrential rain and floods are among the most critical environmental issues world-wide. In that context weather radar observations have proven to be very useful in providing information on the spatial distribution of rainfall that can support early warning of floods. However, quantitative precipitation estimation by radar is subjected to many limitations and uncertainties. The use of dual-polarization at high frequency (i.e. X-band has proven particularly useful for mitigating some of the limitation of operational systems, by exploiting the benefit of easiness to transport and deploy and the high spatial and temporal resolution achievable at small antenna sizes. New developments on X-band dual-polarization technology in recent years have received the interest of scientific and operational communities in these systems. New enterprises are focusing on the advancement of cost-efficient mini-radar network technology, based on high-frequency (mainly X-band and low-power weather radar systems for weather monitoring and hydro-meteorological forecasting. Within the above context, the main objective of the HYDRORAD project was the development of an innovative mbox{integrated} decision support tool for weather monitoring and hydro-meteorological applications. The integrated system tool is based on a polarimetric X-band mini-radar network which is the core of the decision support tool, a novel radar products generator and a hydro-meteorological forecast modelling system that ingests mini-radar rainfall products to forecast precipitation and floods. The radar products generator includes algorithms for attenuation correction, hydrometeor classification, a vertical profile reflectivity correction, a new polarimetric rainfall estimators developed for mini-radar observations, and short-term nowcasting of convective cells. The hydro-meteorological modelling system includes the Mesoscale Model 5

Micro-Mechanical Analysis About Kink Band in Carbon Fiber/Epoxy Composites Under Longitudinal Compression

Science.gov (United States)

Zhang, Mi; Guan, Zhidong; Wang, Xiaodong; Du, Shanyi

2017-10-01

Kink band is a typical phenomenon for composites under longitudinal compression. In this paper, theoretical analysis and finite element simulation were conducted to analyze kink angle as well as compressive strength of composites. Kink angle was considered to be an important character throughout longitudinal compression process. Three factors including plastic matrix, initial fiber misalignment and rotation due to loading were considered for theoretical analysis. Besides, the relationship between kink angle and fiber volume fraction was improved and optimized by theoretical derivation. In addition, finite element models considering fiber stochastic strength and Drucker-Prager constitutive model for matrix were conducted in ABAQUS to analyze kink band formation process, which corresponded with the experimental results. Through simulation, the loading and failure procedure can be evidently divided into three stages: elastic stage, softening stage, and fiber break stage. It also shows that kink band is a result of fiber misalignment and plastic matrix. Different values of initial fiber misalignment angle, wavelength and fiber volume fraction were considered to explore the effects on compressive strength and kink angle. Results show that compressive strength increases with the decreasing of initial fiber misalignment angle, the decreasing of initial fiber misalignment wavelength and the increasing of fiber volume fraction, while kink angle decreases in these situations. Orthogonal array in statistics was also built to distinguish the effect degree of these factors. It indicates that initial fiber misalignment angle has the largest impact on compressive strength and kink angle.

The graph-theoretic minimum energy path problem for ionic conduction

Directory of Open Access Journals (Sweden)

Ippei Kishida

2015-10-01

Full Text Available A new computational method was developed to analyze the ionic conduction mechanism in crystals through graph theory. The graph was organized into nodes, which represent the crystal structures modeled by ionic site occupation, and edges, which represent structure transitions via ionic jumps. We proposed a minimum energy path problem, which is similar to the shortest path problem. An effective algorithm to solve the problem was established. Since our method does not use randomized algorithm and time parameters, the computational cost to analyze conduction paths and a migration energy is very low. The power of the method was verified by applying it to α-AgI and the ionic conduction mechanism in α-AgI was revealed. The analysis using single point calculations found the minimum energy path for long-distance ionic conduction, which consists of 12 steps of ionic jumps in a unit cell. From the results, the detailed theoretical migration energy was calculated as 0.11 eV by geometry optimization and nudged elastic band method. Our method can refine candidates for possible jumps in crystals and it can be adapted to other computational methods, such as the nudged elastic band method. We expect that our method will be a powerful tool for analyzing ionic conduction mechanisms, even for large complex crystals.

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.

The effect of band Jahn-Teller distortion on the magnetoresistivity of manganites: a model study

Energy Technology Data Exchange (ETDEWEB)

Rout, G C [Condensed Matter Physics Group, P G Department of Applied Physics and Ballistics, F M University, Balasore 756 019 (India); Panda, Saswati [Trident Academy of Technology, F2/A, Chandaka Industrial Estate, Bhubaneswar 751 024 (India); Behera, S N, E-mail: gcr@iopb.res.in, E-mail: saswatip7@gmail.com [National Institute of Science and Technology, Palur Hills, Berhampur 761 008 (India)

2011-10-05

We present a model study of magnetoresistance through the interplay of magnetisation, structural distortion and external magnetic field for the manganite systems. The manganite system is described by the Hamiltonian which consists of the s-d type double exchange interaction, Heisenberg spin-spin interaction among the core electrons, and the static and dynamic band Jahn-Teller (JT) interaction in the e{sub g} band. The relaxation time of the e{sub g} electron is found from the imaginary part of the Green's function using the total Hamiltonian consisting of the interactions due to the electron and phonon. The calculated resistivity exhibits a peak in the pure JT distorted insulating phase separating the low temperature metallic ferromagnetic phase and the high temperature paramagnetic phase. The resistivity is suppressed with the increase of the external magnetic field. The e{sub g} electron band splitting and its effect on magnetoresistivity is reported here. (paper)

Energies of rare-earth ion states relative to host bands in optical materials from electron photoemission spectroscopy

Science.gov (United States)

Thiel, Charles Warren

There are a vast number of applications for rare-earth-activated materials and much of today's cutting-edge optical technology and emerging innovations are enabled by their unique properties. In many of these applications, interactions between the rare-earth ion and the host material's electronic states can enhance or inhibit performance and provide mechanisms for manipulating the optical properties. Continued advances in these technologies require knowledge of the relative energies of rare-earth and crystal band states so that properties of available materials may be fully understood and new materials may be logically developed. Conventional and resonant electron photoemission techniques were used to measure 4f electron and valence band binding energies in important optical materials, including YAG, YAlO3, and LiYF4. The photoemission spectra were theoretically modeled and analyzed to accurately determine relative energies. By combining these energies with ultraviolet spectroscopy, binding energies of excited 4fN-15d and 4fN+1 states were determined. While the 4fN ground-state energies vary considerably between different trivalent ions and lie near or below the top of the valence band in optical materials, the lowest 4f N-15d states have similar energies and are near the bottom of the conduction band. As an example for YAG, the Tb3+ 4f N ground state is in the band gap at 0.7 eV above the valence band while the Lu3+ ground state is 4.7 eV below the valence band maximum; however, the lowest 4fN-15d states are 2.2 eV below the conduction band for both ions. We found that a simple model accurately describes the binding energies of the 4fN, 4fN-1 5d, and 4fN+1 states. The model's success across the entire rare-earth series indicates that measurements on two different ions in a host are sufficient to predict the energies of all rare-earth ions in that host. This information provides new insight into electron transfer transitions, luminescence quenching, and valence

Geometric model for softwood transverse thermal conductivity. Part I

Science.gov (United States)

Hong-mei Gu; Audrey Zink-Sharp

2005-01-01

Thermal conductivity is a very important parameter in determining heat transfer rate and is required for developing of drying models and in industrial operations such as adhesive cure rate. Geometric models for predicting softwood thermal conductivity in the radial and tangential directions were generated in this study based on obervation and measurements of wood...

Development of softcopy environment for primary color banding visibility assessment

Science.gov (United States)

Min, Byungseok; Pizlo, Zygmunt; Allebach, Jan P.

2008-01-01

Fine-pitch banding is one of the most unwanted artifacts in laser electrophotographic (EP) printers. It is perceived as a quasiperiodic fluctuation in the process direction. Therefore, it is essential for printer vendors to know how banding is perceived by humans in order to improve print quality. Monochrome banding has been analyzed and assessed by many researchers; but there is no literature that deals with the banding of color laser printers as measured from actual prints. The study of color banding is complicated by the fact that the color banding signal is physically defined in a three-dimensional color space, while banding perception is described in a one-dimensional sense such as more banding or less banding. In addition, the color banding signal arises from the independent contributions of the four primary colorant banding signals. It is not known how these four distinct signals combine to give rise to the perception of color banding. In this paper, we develop a methodology to assess the banding visibility of the primary colorant cyan based on human visual perception. This is our first step toward studying the more general problem of color banding in combinations of two or more colorants. According to our method, we print and scan the cyan test patch, and extract the banding profile as a one dimensional signal so that we can freely adjust the intensity of banding. Thereafter, by exploiting the pulse width modulation capability of the laser printer, the extracted banding profile is used to modulate a pattern consisting of periodic lines oriented in the process direction, to generate extrinsic banding. This avoids the effect of the halftoning algorithm on the banding. Furthermore, to conduct various banding assessments more efficiently, we also develop a softcopy environment that emulates a hardcopy image on a calibrated monitor, which requires highly accurate device calibration throughout the whole system. To achieve the same color appearance as the hardcopy

The effect of spin-orbit coupling in band structure of few-layer graphene

Energy Technology Data Exchange (ETDEWEB)

Sahdan, Muhammad Fauzi, E-mail: sahdan89@yahoo.co.id; Darma, Yudi, E-mail: sahdan89@yahoo.co.id [Department of Physics, Institut Teknologi Bandung, Jalan Ganesa 10, Bandung 40132 (Indonesia)

2014-03-24

Topological insulators are electronic materials that have a bulk band gap like an ordinary insulator but have protected conducting states on their edge or surface. This can be happened due to spin-orbit coupling and time-reversal symmetry. Moreover, the edge current flows through their edge or surface depends on its spin orientation and also it is robust against non-magnetic impurities. Therefore, topological insulators are predicted to be useful ranging from spintronics to quantum computation. Graphene was first predicted to be the precursor of topological insulator by Kane-Mele. They developed a Hamiltonian model to describe the gap opening in graphene. In this work, we investigate the band structure of few-layer graphene by using this model with analytical approach. The results of our calculations show that the gap opening occurs at K and K’ point, not only in single layer, but also in bilayer and trilayer graphene.

Electrical conductivity of hydrogen shocked to megabar pressures

International Nuclear Information System (INIS)

Weir, S.T.; Nellis, W.J.; Mitchell, A.C.

1993-08-01

The properties of ultra-high pressure hydrogen have been the subject of much experimental and theoretical study. Of particular interest is the pressure-induced insulator-to-metal transition of hydrogen which, according to recent theoretical calculations, is predicted to occur by band-overlap in the pressure range of 1.5-3.0 Mbars on the zero temperature isotherm. Extremely high pressures are required for metallization since the low-pressure band gap is about 15 eV. Recent static-pressure diamond anvil cell experiments have searched for evidence of an insulator-to-metal transition, but no conclusive evidence for such a transition has yet been supplied. Providing conclusive evidence for hydrogen metallization is difficult because no technique has yet been developed for performing static high-pressure electrical conductivity experiments at megabar pressures. The authors report here on electrical conductivity experiments performed on H 2 and D 2 multi-shocked to megabar pressures. Electrical conductivities of dense fluid hydrogen at these pressures and temperatures reached are needed for calculations of the magnetic fields of Jupiter and Saturn, the magnetic fields being generated by convective dynamos of hot, dense, semiconducting fluid hydrogen. Also, since electrical conduction at the pressure-temperature conditions being studied is due to the thermal excitation of charge carriers across the electronic band gap, these experiments yield valuable information on the width of the band gap at high densities

GPI Spectra of HR8799 C, D, and E in H-K Bands with KLIP Forward Modeling

Science.gov (United States)

Greenbaum, Alexandra Z.; Pueyo, Laurent; Ruffio, Jean-Baptiste; Wang, Jason J.; De Rosa, Robert J.; Aguilar, Jonathan; Rameau, Julien; Barman, Travis; Marois, Christian; Marley, Mark S.;

Point kinetics model with one-dimensional (radial) heat conduction formalism

International Nuclear Information System (INIS)

Jain, V.K.

1989-01-01

A point-kinetics model with one-dimensional (radial) heat conduction formalism has been developed. The heat conduction formalism is based on corner-mesh finite difference method. To get average temperatures in various conducting regions, a novel weighting scheme has been devised. The heat conduction model has been incorporated in the point-kinetics code MRTF-FUEL. The point-kinetics equations are solved using the method of real integrating factors. It has been shown by analysing the simulation of hypothetical loss of regulation accident in NAPP reactor that the model is superior to the conventional one in accuracy and speed of computation. (author). 3 refs., 3 tabs

Inferring Land Surface Model Parameters for the Assimilation of Satellite-Based L-Band Brightness Temperature Observations into a Soil Moisture Analysis System

Science.gov (United States)

Reichle, Rolf H.; De Lannoy, Gabrielle J. M.

2012-01-01

The Soil Moisture and Ocean Salinity (SMOS) satellite mission provides global measurements of L-band brightness temperatures at horizontal and vertical polarization and a variety of incidence angles that are sensitive to moisture and temperature conditions in the top few centimeters of the soil. These L-band observations can therefore be assimilated into a land surface model to obtain surface and root zone soil moisture estimates. As part of the observation operator, such an assimilation system requires a radiative transfer model (RTM) that converts geophysical fields (including soil moisture and soil temperature) into modeled L-band brightness temperatures. At the global scale, the RTM parameters and the climatological soil moisture conditions are still poorly known. Using look-up tables from the literature to estimate the RTM parameters usually results in modeled L-band brightness temperatures that are strongly biased against the SMOS observations, with biases varying regionally and seasonally. Such biases must be addressed within the land data assimilation system. In this presentation, the estimation of the RTM parameters is discussed for the NASA GEOS-5 land data assimilation system, which is based on the ensemble Kalman filter (EnKF) and the Catchment land surface model. In the GEOS-5 land data assimilation system, soil moisture and brightness temperature biases are addressed in three stages. First, the global soil properties and soil hydraulic parameters that are used in the Catchment model were revised to minimize the bias in the modeled soil moisture, as verified against available in situ soil moisture measurements. Second, key parameters of the "tau-omega" RTM were calibrated prior to data assimilation using an objective function that minimizes the climatological differences between the modeled L-band brightness temperatures and the corresponding SMOS observations. Calibrated parameters include soil roughness parameters, vegetation structure parameters

Band structure of germanium carbides for direct bandgap silicon photonics

Energy Technology Data Exchange (ETDEWEB)

Stephenson, C. A., E-mail: cstephe3@nd.edu; Stillwell, R. A.; Wistey, M. A. [Department of Electrical Engineering, University of Notre Dame, Notre Dame, Indiana 46556 (United States); O' Brien, W. A. [Rigetti Quantum Computing, 775 Heinz Avenue, Berkeley, California 94710 (United States); Penninger, M. W. [Honeywell UOP, Des Plaines, Illinois 60016 (United States); Schneider, W. F. [Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Gillett-Kunnath, M. [Department of Chemistry, Syracuse University, Syracuse, New York 13244 (United States); Zajicek, J. [Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Yu, K. M. [Department of Physics and Materials Science, City University of Hong Kong, Hong Kong (China); Kudrawiec, R. [Institute of Physics, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland)

2016-08-07

Compact optical interconnects require efficient lasers and modulators compatible with silicon. Ab initio modeling of Ge{sub 1−x}C{sub x} (x = 0.78%) using density functional theory with HSE06 hybrid functionals predicts a splitting of the conduction band at Γ and a strongly direct bandgap, consistent with band anticrossing. Photoreflectance of Ge{sub 0.998}C{sub 0.002} shows a bandgap reduction supporting these results. Growth of Ge{sub 0.998}C{sub 0.002} using tetrakis(germyl)methane as the C source shows no signs of C-C bonds, C clusters, or extended defects, suggesting highly substitutional incorporation of C. Optical gain and modulation are predicted to rival III–V materials due to a larger electron population in the direct valley, reduced intervalley scattering, suppressed Auger recombination, and increased overlap integral for a stronger fundamental optical transition.

Toxicity of metal oxide nanoparticles in Escherichia coli correlates with conduction band and hydration energies.

Science.gov (United States)

Kaweeteerawat, Chitrada; Ivask, Angela; Liu, Rong; Zhang, Haiyuan; Chang, Chong Hyun; Low-Kam, Cecile; Fischer, Heidi; Ji, Zhaoxia; Pokhrel, Suman; Cohen, Yoram; Telesca, Donatello; Zink, Jeffrey; Mädler, Lutz; Holden, Patricia A; Nel, Andre; Godwin, Hilary

2015-01-20

Metal oxide nanoparticles (MOx NPs) are used for a host of applications, such as electronics, cosmetics, construction, and medicine, and as a result, the safety of these materials to humans and the environment is of considerable interest. A prior study of 24 MOx NPs in mammalian cells revealed that some of these materials show hazard potential. Here, we report the growth inhibitory effects of the same series of MOx NPs in the bacterium Escherichia coli and show that toxicity trends observed in E. coli parallel those seen previously in mammalian cells. Of the 24 materials studied, only ZnO, CuO, CoO, Mn2O3, Co3O4, Ni2O3, and Cr2O3 were found to exert significant growth inhibitory effects; these effects were found to relate to membrane damage and oxidative stress responses in minimal trophic media. A correlation of the toxicological data with physicochemical parameters of MOx NPs revealed that the probability of a MOx NP being toxic increases as the hydration enthalpy becomes less negative and as the conduction band energy approaches those of biological molecules. These observations are consistent with prior results observed in mammalian cells, revealing that mechanisms of toxicity of MOx NPs are consistent across two very different taxa. These results suggest that studying nanotoxicity in E. coli may help to predict toxicity patterns in higher organisms.

Development of Multidimensional Gap Conductance model using Virtual Link Gap Element

Energy Technology Data Exchange (ETDEWEB)

Kim, Hyo Chan; Yang, Yong Sik; Kim, Dae Ho; Bang, Je Geon; Kim, Sun Ki; Koo, Yang Hyun [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2013-10-15

The gap conductance that determines temperature gradient between pellet and cladding can be quite sensitive to gap thickness. For instance, once the gap size increases up to several micrometers in certain region, difference of pellet surface temperatures increases up to 100 Kelvin. Therefore, iterative thermo-mechanical coupled analysis is required to solve temperature distribution throughout pellet and cladding. Recently, multidimensional fuel performance codes have been being developed in the advanced countries to evaluate thermal behavior of fuel for off normal conditions and DBA(design based accident) conditions using the Finite Element Method (FEM). FRAPCON-FRAPTRAN code system, which is well known as the verified and reliable code, incorporates 1D thermal module and multidimensional mechanical module. In this code, multidimensional gap conductance model is not applied. ALCYONE developed by CEA introduces equivalent heat convection coefficient that represents multidimensional gap conductance as a function of gap thickness. BISON, which is multidimensional fuel performance code developed by INL, owns multidimensional gap conductance model using projected thermal contact. In general, thermal contact algorithm is nonlinear calculation which is expensive approach numerically. The gap conductance model for multi-dimension is difficult issue in terms of convergence and nonlinearity because gap conductance is function of gap thickness which depends on mechanical analysis at each iteration step. In this paper, virtual link gap (VLG) element has been proposed to resolve convergence issue and nonlinear characteristic of multidimensional gap conductance. In terms of calculation accuracy and convergence efficiency, the proposed VLG model was evaluated. LWR fuel performance codes should incorporate thermo-mechanical loop to solve gap conductance problem, iteratively. However, gap conductance in multidimensional model is difficult issue owing to its nonlinearity and

Pattern solutions of the Klausmeier Model for banded vegetation in semi-arid environments I

International Nuclear Information System (INIS)

Sherratt, Jonathan A

2010-01-01

In many semi-arid environments, vegetation cover is sparse, and is self-organized into large-scale spatial patterns. In particular, banded vegetation is typical on hillsides. Mathematical modelling is widely used to study these banded patterns, and many models are effectively extensions of a coupled reaction–diffusion–advection system proposed by Klausmeier (1999 Science 284 1826–8). However, there is currently very little mathematical theory on pattern solutions of these equations. This paper is the first in a series whose aim is a comprehensive understanding of these solutions, which can act as a springboard both for future simulation-based studies of the Klausmeier model, and for analysis of model extensions. The author focusses on a particular part of parameter space, and derives expressions for the boundaries of the parameter region in which patterns occur. The calculations are valid to leading order at large values of the 'slope parameter', which reflects a comparison of the rate of water flow downhill with the rate of vegetation dispersal. The form of the corresponding patterns is also studied, and the author shows that the leading order equations change close to one boundary of the parameter region in which there are patterns, leading to a homoclinic solution. Conclusions are drawn on the way in which changes in mean annual rainfall affect pattern properties, including overall biomass productivity

Itinerant ferromagnetism in the narrow band limit

CERN Document Server

Liu, S H

2000-01-01

It is shown that in the narrow band, strong interaction limit the paramagnetic state of an itinerant ferromagnet is described by the disordered local moment state. As a result, the Curie temperature is orders of magnitude lower than what is expected from the large exchange splitting of the spin bands. An approximate analysis has also been carried out for the partially ordered state, and the result explains the temperature evolvement of the magnetic contributions to the resistivity and low-energy optical conductivity of CrO sub 2.

Band-to-band and inner shell excitation VIS-UV photoluminescence of quaternary InAlGaN alloys

International Nuclear Information System (INIS)

Fukui, K.; Naoe, S.; Okada, K.; Hamada, S.; Hirayama, H.

2006-01-01

Visible and ultraviolet photoluminescence and photoluminescence excitation spectra of quaternary InAlGaN alloys were measured. The excitation photon energy covers from band edge to 180 eV, near both nitrogen K (∝400 eV) and aluminium K (∝1.5 keV) inner shell energy region. From photoluminescence excitation spectra photoluminescence intensity per incident photon number varies in proportion to incident photon energy. This result implies that many conduction band electron - valence band hole pairs which are responsible for photoluminescence are produced by high energy excitation. Time resolved decay curves were also measured in the same energy region. No effect of high energy excitation on time resolved decay measurements suggests a role of indium on the photoluminescence mechanism in InAlGaN system. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Optical conductivity of topological insulator thin films

International Nuclear Information System (INIS)

Li, L. L.; Xu, W.; Peeters, F. M.

2015-01-01

We present a detailed theoretical study on the optoelectronic properties of topological insulator thin film (TITFs). The k·p approach is employed to calculate the energy spectra and wave functions for both the bulk and surface states in the TITF. With these obtained results, the optical conductivities induced by different electronic transitions among the bulk and surface states are evaluated using the energy-balance equation derived from the Boltzmann equation. We find that for Bi 2 Se 3 -based TITFs, three characteristic regimes for the optical absorption can be observed. (i) In the low radiation frequency regime (photon energy ℏω<200 meV), the free-carrier absorption takes place due to intraband electronic transitions. An optical absorption window can be observed. (ii) In the intermediate radiation frequency regime (200<ℏω<300 meV), the optical absorption is induced mainly by interband electronic transitions from surface states in the valance band to surface states in the conduction band and an universal value σ 0 =e 2 /(8ℏ) for the optical conductivity can be obtained. (iii) In the high radiation frequency regime (ℏω>300 meV), the optical absorption can be achieved via interband electronic transitions from bulk and surface states in the valance band to bulk and surface states in the conduction band. A strong absorption peak can be observed. These interesting findings indicate that optical measurements can be applied to identify the energy regimes of bulk and surface states in the TITF

Thermal conductivity of the Lennard-Jones chain fluid model.

Science.gov (United States)

Galliero, Guillaume; Boned, Christian

2009-12-01

Nonequilibrium molecular dynamics simulations have been performed to estimate, analyze, and correlate the thermal conductivity of a fluid composed of short Lennard-Jones chains (up to 16 segments) over a large range of thermodynamic conditions. It is shown that the dilute gas contribution to the thermal conductivity decreases when the chain length increases for a given temperature. In dense states, simulation results indicate that the residual thermal conductivity of the monomer increases strongly with density, but is weakly dependent on the temperature. Compared to the monomer value, it has been noted that the residual thermal conductivity of the chain was slightly decreasing with its length. Using these results, an empirical relation, including a contribution due to the critical enhancement, is proposed to provide an accurate estimation of the thermal conductivity of the Lennard-Jones chain fluid model (up to 16 segments) over the domain 0.8values of the Lennard-Jones chain fluid model merge on the same "universal" curve when plotted as a function of the excess entropy. Furthermore, it is shown that the reduced configurational thermal conductivity of the Lennard-Jones chain fluid model is approximately proportional to the reduced excess entropy for all fluid states and all chain lengths.

Band offsets of n-type electron-selective contacts on cuprous oxide (Cu{sub 2}O) for photovoltaics

Energy Technology Data Exchange (ETDEWEB)

Brandt, Riley E., E-mail: rbrandt@alum.mit.edu, E-mail: buonassisi@mit.edu; Lee, Yun Seog; Buonassisi, Tonio, E-mail: rbrandt@alum.mit.edu, E-mail: buonassisi@mit.edu [Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Young, Matthew; Dameron, Arrelaine; Teeter, Glenn [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Park, Helen Hejin; Chua, Danny; Gordon, Roy G. [Harvard University, Cambridge, Massachusetts 02139 (United States)

2014-12-29

The development of cuprous oxide (Cu{sub 2}O) photovoltaics (PVs) is limited by low device open-circuit voltages. A strong contributing factor to this underperformance is the conduction-band offset between Cu{sub 2}O and its n-type heterojunction partner or electron-selective contact. In the present work, a broad range of possible n-type materials is surveyed, including ZnO, ZnS, Zn(O,S), (Mg,Zn)O, TiO{sub 2}, CdS, and Ga{sub 2}O{sub 3}. Band offsets are determined through X-ray photoelectron spectroscopy and optical bandgap measurements. A majority of these materials is identified as having a negative conduction-band offset with respect to Cu{sub 2}O; the detrimental impact of this on open-circuit voltage (V{sub OC}) is evaluated through 1-D device simulation. These results suggest that doping density of the n-type material is important as well, and that a poorly optimized heterojunction can easily mask changes in bulk minority carrier lifetime. Promising heterojunction candidates identified here include Zn(O,S) with [S]/[Zn] ratios >70%, and Ga{sub 2}O{sub 3}, which both demonstrate slightly positive conduction-band offsets and high V{sub OC} potential. This experimental protocol and modeling may be generalized to evaluate the efficiency potential of candidate heterojunction partners for other PV absorbers, and the materials identified herein may be promising for other absorbers with low electron affinities.

Two-dimensional modeling of conduction-mode laser welding

International Nuclear Information System (INIS)

Russo, A.J.

1984-01-01

WELD2D is a two-dimensional finite difference computer program suitable for modeling the conduction-mode welding process when the molten weld pool motion can be neglected. The code is currently structured to treat butt-welded geometries in a plane normal to the beam motion so that dissimilar materials may be considered. The surface heat transfer models used in the code include a Gaussian beam or uniform laser source, and a free electron theory reflectance calculation. Temperature-dependent material parameters are used in the reflectance calculation. Measured cold reflection data are used to include surface roughness or oxide effects until melt occurs, after which the surface is assumed to be smooth and clean. Blackbody reradiation and a simple natural convection model are also included in the upper surface boundary condition. Either an implicit or explicit finite-difference representation of the heat conduction equation in an enthalpy form is solved at each time step. This enables phase transition energies to be easily and accurately incorporated into the formulation. Temperature-dependent 9second-order polynominal dependence) thermal conductivities are used in the conduction calculations. Constant values of specific heat are used for each material phase. At present, material properties for six metals are included in the code. These are: aluminium, nickel, steel, molybdenum, copper and silicon

Modeling of Photonic Band Gap Crystals and Applications

Energy Technology Data Exchange (ETDEWEB)

El-Kady, Ihab Fathy [Iowa State Univ., Ames, IA (United States)

2002-01-01

In this work, the authors have undertaken a theoretical approach to the complex problem of modeling the flow of electromagnetic waves in photonic crystals. The focus is to address the feasibility of using the exciting phenomena of photonic gaps (PBG) in actual applications. The authors start by providing analytical derivations of the computational electromagnetic methods used in their work. They also present a detailed explanation of the physics underlying each approach, as well as a comparative study of the strengths and weaknesses of each method. The Plane Wave expansion, Transfer Matrix, and Finite Difference time Domain Methods are addressed. They also introduce a new theoretical approach, the Modal Expansion Method. They then shift the attention to actual applications. They begin with a discussion of 2D photonic crystal wave guides. The structure addressed consists of a 2D hexagonal structure of air cylinders in a layered dielectric background. Comparison with the performance of a conventional guide is made, as well as suggestions for enhancing it. The studies provide an upper theoretical limit on the performance of such guides, as they assumed no crystal imperfections and non-absorbing media. Next, they study 3D metallic PBG materials at near infrared and optical wavelengths. The main objective is to study the importance of absorption in the metal and the suitability of observing photonic band gaps in such structures. They study simple cubic structures where the metallic scatters are either cubes or interconnected metallic rods. Several metals are studied (aluminum, gold, copper, and silver). The effect of topology is addressed and isolated metallic cubes are found to be less lossy than the connected rod structures. The results reveal that the best performance is obtained by choosing metals with a large negative real part of the dielectric function, together with a relatively small imaginary part. Finally, they point out a new direction in photonic crystal

Edge magnetism impact on electrical conductance and thermoelectric properties of graphenelike nanoribbons

Science.gov (United States)

Krompiewski, Stefan; Cuniberti, Gianaurelio

2017-10-01

Edge states in narrow quasi-two-dimensional nanostructures determine, to a large extent, their electric, thermoelectric, and magnetic properties. Nonmagnetic edge states may quite often lead to topological-insulator-type behavior. However, another scenario develops when the zigzag edges are magnetic and the time reversal symmetry is broken. In this work we report on the electronic band structure modifications, electrical conductance, and thermoelectric properties of narrow zigzag nanoribbons with spontaneously magnetized edges. Theoretical studies based on the Kane-Mele-Hubbard tight-binding model show that for silicene, germanene, and stanene both the Seebeck coefficient and the thermoelectric power factor are strongly enhanced for energies close to the charge neutrality point. A perpendicular gate voltage lifts the spin degeneracy of energy bands in the ground state with antiparallel magnetized zigzag edges and makes the electrical conductance significantly spin polarized. Simultaneously the gate voltage worsens the thermoelectric performance. Estimated room-temperature figures of merit for the aforementioned nanoribbons can exceed a value of 3 if phonon thermal conductances are adequately reduced.

Design of an Electronic Chest-Band

Science.gov (United States)

Atakan, R.; Acikgoz Tufan, H.; Baskan, H.; Eryuruk, S. H.; Akalin, N.; Kose, H.; Li, Y.; Kursun Bahadir, S.; Kalaoglu, F.

2017-10-01

In this study, an electronic chest strap prototype was designed for measuring fitness level, performance optimization, mobility and fall detection. Knitting technology is used for production by using highly elastic nylon yarn. In order to evaluate comfort performance of the garment, yarn strength and elongation, air permeability, moisture management and FAST tests (Fabric Assurance Fabric Testing) were carried out, respectively. After testing of textile part of the chest band, IMU sensors were integrated onto the garment by means of conductive yarns. Electrical conductivity of the circuit was also assessed at the end. Results indicated that the weight and the thickness of the product are relatively high for sports uses and it has a negative impact on comfort properties. However, it is highly stretchable and moisture management properties are still in acceptable values. From the perspective of possible application areas, developed smart chest band in this research could be used in sports facilities as well as health care applications for elderly and disabled people.

HydroCube mission concept: P-Band signals of opportunity for remote sensing of snow and root zone soil moisture

Science.gov (United States)

Yueh, Simon; Shah, Rashmi; Xu, Xiaolan; Elder, Kelly; Chae, Chun Sik; Margulis, Steve; Liston, Glen; Durand, Michael; Derksen, Chris

2017-09-01

We have developed the HydroCube mission concept with a constellation of small satellites to remotely sense Snow Water Equivalent (SWE) and Root Zone Soil Moisture (RZSM). The HydroCube satellites would operate at sun-synchronous 3- day repeat polar orbits with a spatial resolution of about 1-3 Km. The mission goals would be to improve the estimation of terrestrial water storage and weather forecasts. Root-zone soil moisture and snow water storage in land are critical parameters of the water cycle. The HydroCube Signals of Opportunity (SoOp) concept utilizes passive receivers to detect the reflection of strong existing P-band radio signals from geostationary Mobile Use Objective System (MUOS) communication satellites. The SWE remote sensing measurement principle using the P-band SoOp is based on the propagation delay (or phase change) of radio signals through the snowpack. The time delay of the reflected signal due to the snowpack with respect to snow-free conditions is directly proportional to the snowpack SWE. To address the ionospheric delay at P-band frequencies, the signals from both MUOS bands (360-380 MHz and 250-270 MHz) would be used. We have conducted an analysis to trade off the spatial resolution for a space-based sensor and measurement accuracy. Through modeling analysis, we find that the dual-band MUOS signals would allow estimation of soil moisture and surface roughness together. From the two MUOS frequencies at 260 MHz and 370 MHz, we can retrieve the soil moisture from the reflectivity ratio scaled by wavenumbers using the two P-band frequencies for MUOS. A modeling analysis using layered stratified model has been completed to determine the sensitivity requirements of HydroCube measurements. For mission concept demonstration, a field campaign has been conducted at the Fraser Experimental Forest in Colorado since February 2016. The data acquired has provided support to the HydroCube concept.

Importance of conduction electron correlation in a Kondo lattice, Ce₂CoSi₃.

Science.gov (United States)

Patil, Swapnil; Pandey, Sudhir K; Medicherla, V R R; Singh, R S; Bindu, R; Sampathkumaran, E V; Maiti, Kalobaran

2010-06-30

Kondo systems are usually described by the interaction of the correlation induced local moments with the highly itinerant conduction electrons. Here, we study the role of electron correlations among conduction electrons in the electronic structure of a Kondo lattice compound, Ce₂CoSi₃, using high resolution photoemission spectroscopy and ab initio band structure calculations, where Co 3d electrons contribute in the conduction band. High energy resolution employed in the measurements helped to reveal the signatures of Ce 4f states derived Kondo resonance features at the Fermi level and the dominance of Co 3d contributions at higher binding energies in the conduction band. The lineshape of the experimental Co 3d band is found to be significantly different from that obtained from the band structure calculations within the local density approximations, LDA. Consideration of electron-electron Coulomb repulsion, U, among Co 3d electrons within the LDA + U method leads to a better representation of experimental results. The signature of an electron correlation induced satellite feature is also observed in the Co 2p core level spectrum. These results clearly demonstrate the importance of the electron correlation among conduction electrons in deriving the microscopic description of such Kondo systems.

Direct imaging of band profile in single layer MoS2 on graphite: quasiparticle energy gap, metallic edge states, and edge band bending.

Science.gov (United States)

Zhang, Chendong; Johnson, Amber; Hsu, Chang-Lung; Li, Lain-Jong; Shih, Chih-Kang

2014-05-14

Using scanning tunneling microscopy and spectroscopy, we probe the electronic structures of single layer MoS2 on graphite. The apparent quasiparticle energy gap of single layer MoS2 is measured to be 2.15 ± 0.06 eV at 77 K, albeit a higher second conduction band threshold at 0.2 eV above the apparent conduction band minimum is also observed. Combining it with photoluminescence studies, we deduce an exciton binding energy of 0.22 ± 0.1 eV (or 0.42 eV if the second threshold is use), a value that is lower than current theoretical predictions. Consistent with theoretical predictions, we directly observe metallic edge states of single layer MoS2. In the bulk region of MoS2, the Fermi level is located at 1.8 eV above the valence band maximum, possibly due to the formation of a graphite/MoS2 heterojunction. At the edge, however, we observe an upward band bending of 0.6 eV within a short depletion length of about 5 nm, analogous to the phenomena of Fermi level pinning of a 3D semiconductor by metallic surface states.

Electric conduction mechanism of some heterocyclic compounds, 4,4′-bipyridine and indolizine derivatives in thin films

Energy Technology Data Exchange (ETDEWEB)

Danac, Ramona, E-mail: rdanac@uaic.ro [Faculty of Chemistry, Alexandru Ioan Cuza University of Iasi, Bulevardul Carol I, Nr. 11, 700506 Iasi (Romania); Leontie, Liviu, E-mail: lleontie@uaic.ro [Faculty of Physics, Alexandru Ioan Cuza University of Iasi, Bulevardul Carol I, Nr. 11, 700506 Iasi (Romania); Carlescu, Aurelian, E-mail: carlescu_aurelian@yahoo.com [Faculty of Physics, Alexandru Ioan Cuza University of Iasi, Bulevardul Carol I, Nr. 11, 700506 Iasi (Romania); Shova, Sergiu, E-mail: shova@icmpp.ro [Petru Poni Institute of Macromolecular Chemistry, Aleea Grigore Ghica Voda, Nr. 41A, 700487 Iasi (Romania); Tiron, Vasile, E-mail: vasile.tiron@uaic.ro [Faculty of Physics, Alexandru Ioan Cuza University of Iasi, Bulevardul Carol I, Nr. 11, 700506 Iasi (Romania); Rusu, George G., E-mail: rusugxg@uaic.ro [Faculty of Physics, Alexandru Ioan Cuza University of Iasi, Bulevardul Carol I, Nr. 11, 700506 Iasi (Romania); Iacomi, Felicia, E-mail: iacomi@uaic.ro [Faculty of Physics, Alexandru Ioan Cuza University of Iasi, Bulevardul Carol I, Nr. 11, 700506 Iasi (Romania); Gurlui, Silviu, E-mail: sgurlui@uaic.ro [Faculty of Physics, Alexandru Ioan Cuza University of Iasi, Bulevardul Carol I, Nr. 11, 700506 Iasi (Romania); Șușu, Oana, E-mail: oasusu@gmail.com [Faculty of Physics, Alexandru Ioan Cuza University of Iasi, Bulevardul Carol I, Nr. 11, 700506 Iasi (Romania); Rusu, Gheorghe I., E-mail: girusu@uaic.ro [Faculty of Physics, Alexandru Ioan Cuza University of Iasi, Bulevardul Carol I, Nr. 11, 700506 Iasi (Romania)

2016-08-01

Temperature dependence of d. c. electric conductivity of some recently synthesized heterocyclic compounds, 4,4′-bipyridine and indolizine derivatives, in thin films (d = 0.27–0.51 μm) spin-coated from chloroform solutions onto glass, is studied. The investigated compounds are polycrystalline (as shown by X-ray Diffraction analysis) and show typical n-type semiconductor behavior. The activation energy of d. c. electric conduction ranges between 1.55 and 2.33 eV. Some correlations between semiconducting characteristics and essential features of molecular structure of organic compounds have been established. In the higher temperature range (400–520 K), the electronic transport properties in present compounds can be explained in the frame of band gap representation model, while in the lower temperature range (300–350 K), the Mott's variable-range hopping conduction model can be conveniently used. - Highlights: • 4,4′-bipyridine and indolizine derivatives in thin films behave as n-type semiconductors. • The electron transfer is favored by extended conjugation and packing capacity. • The band gap representation is suitable in the higher temperature range. • The Mott's VRH conduction model may be used in the lower temperature range.

Unified one-band Hubbard model for magnetic and electronic spectra of the parent compounds of cuprate superconductors

Science.gov (United States)

Dalla Piazza, B.; Mourigal, M.; Guarise, M.; Berger, H.; Schmitt, T.; Zhou, K. J.; Grioni, M.; Rønnow, H. M.

2012-03-01

Using low-energy projection of the one-band t-t'-t'' Hubbard model we derive an effective spin Hamiltonian and its spin-wave expansion to order 1/S. We fit the spin-wave dispersion of several parent compounds to the high-temperature superconducting cuprates La2CuO4, Sr2CuO2Cl2, and Bi2Sr2YCu2O8. Our accurate quantitative determination of the one-band Hubbard model parameters allows prediction and comparison to experimental results. Among those we discuss the two-magnon Raman peak line shape, the K-edge resonant inelastic x-ray scattering 500-meV peak, and the high-energy kink in the angle-resolved photoemission spectroscopy quasiparticle dispersion, also known as the waterfall feature.

Convex Banding of the Covariance Matrix.

Science.gov (United States)

Bien, Jacob; Bunea, Florentina; Xiao, Luo

2016-01-01

We introduce a new sparse estimator of the covariance matrix for high-dimensional models in which the variables have a known ordering. Our estimator, which is the solution to a convex optimization problem, is equivalently expressed as an estimator which tapers the sample covariance matrix by a Toeplitz, sparsely-banded, data-adaptive matrix. As a result of this adaptivity, the convex banding estimator enjoys theoretical optimality properties not attained by previous banding or tapered estimators. In particular, our convex banding estimator is minimax rate adaptive in Frobenius and operator norms, up to log factors, over commonly-studied classes of covariance matrices, and over more general classes. Furthermore, it correctly recovers the bandwidth when the true covariance is exactly banded. Our convex formulation admits a simple and efficient algorithm. Empirical studies demonstrate its practical effectiveness and illustrate that our exactly-banded estimator works well even when the true covariance matrix is only close to a banded matrix, confirming our theoretical results. Our method compares favorably with all existing methods, in terms of accuracy and speed. We illustrate the practical merits of the convex banding estimator by showing that it can be used to improve the performance of discriminant analysis for classifying sound recordings.

Valley Hall Conductivity in Graphene: Effects of Higher-Order Scattering

Science.gov (United States)

Ando, Tsuneya

2018-04-01

The valley Hall conductivity, having opposite signs between the K and K' valleys, is calculated in monolayer and bilayer graphenes with nonzero gap in the presence of short-range scatterers within a single-site approximation. In the case of small disorder, the Hall conductivity is quantized into ±e2/2h and ±e2/h in the monolayer and bilayer graphene, respectively, in the gap region, while it is enhanced over the results in the absence of scatterers in the band region. With the increase in the strength of each impurity potential, large asymmetry between the conduction and valence band appears. For scatterers with attractive potential, the disorder parameter is effectively enhanced and reduced in the conduction and valence band, respectively. The behavior is opposite for repulsive scatterers. Effects of skew scattering causing asymmetry in the scattering direction remain small and do not play significant role.

Band-engineering of TiO2 as a wide-band gap semiconductor using organic chromophore dyes

Science.gov (United States)

Wahyuningsih, S.; Kartini, I.; Ramelan, A. H.; Saputri, L. N. M. Z.; Munawaroh, H.

2017-07-01

Bond-engineering as applied to semiconductor materials refers to the manipulation of the energy bands in order to control charge transfer processes in a device. When the device in question is a photoelectrochemical cell, the charges affected by drift become the focus of the study. The ideal band gap of semiconductors for enhancement of photocatalyst activity can be lowered to match with visible light absorption and the location of conduction Band (CB) should be raised to meet the reducing capacity. Otherwise, by the addition of the chromofor organic dyes, the wide-band gab can be influences by interacation resulting between TiO2 surface and the dyes. We have done the impruvisation wide-band gap of TiO2 by the addition of organic chromophore dye, and the addition of transition metal dopand. The TiO2 morphology influence the light absorption as well as the surface modification. The organic chromophore dye was syntesized by formation complexes compound of Co(PAR)(SiPA)(PAR)= 4-(2-piridylazoresorcinol), SiPA = Silyl propil amine). The result showed that the chromophore groups adsorbed onto TiO2 surface can increase the visible light absorption of wide-band gab semiconductor. Initial absorption of a chromophore will affect light penetration into the material surfaces. The use of photonic material as a solar cell shows this phenomenon clearly from the IPCE (incident photon to current conversion efficiency) measurement data. Organic chromophore dyes of Co(PAR)(SiPA) exhibited the long wavelength absorption character compared to the N719 dye (from Dyesol).

Dirac Cones, Topological Edge States, and Nontrivial Flat Bands in Two-Dimensional Semiconductors with a Honeycomb Nanogeometry

Directory of Open Access Journals (Sweden)

E. Kalesaki

2014-01-01

Full Text Available We study theoretically two-dimensional single-crystalline sheets of semiconductors that form a honeycomb lattice with a period below 10 nm. These systems could combine the usual semiconductor properties with Dirac bands. Using atomistic tight-binding calculations, we show that both the atomic lattice and the overall geometry influence the band structure, revealing materials with unusual electronic properties. In rocksalt Pb chalcogenides, the expected Dirac-type features are clouded by a complex band structure. However, in the case of zinc-blende Cd-chalcogenide semiconductors, the honeycomb nanogeometry leads to rich band structures, including, in the conduction band, Dirac cones at two distinct energies and nontrivial flat bands and, in the valence band, topological edge states. These edge states are present in several electronic gaps opened in the valence band by the spin-orbit coupling and the quantum confinement in the honeycomb geometry. The lowest Dirac conduction band has S-orbital character and is equivalent to the π-π^{⋆} band of graphene but with renormalized couplings. The conduction bands higher in energy have no counterpart in graphene; they combine a Dirac cone and flat bands because of their P-orbital character. We show that the width of the Dirac bands varies between tens and hundreds of meV. These systems emerge as remarkable platforms for studying complex electronic phases starting from conventional semiconductors. Recent advancements in colloidal chemistry indicate that these materials can be synthesized from semiconductor nanocrystals.

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

Multiscale Modeling of UHTC: Thermal Conductivity

Science.gov (United States)

Lawson, John W.; Murry, Daw; Squire, Thomas; Bauschlicher, Charles W.

2012-01-01

We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

Modeling electrical conductivities of nanocomposites with aligned carbon nanotubes

International Nuclear Information System (INIS)

Bao, W S; Meguid, S A; Zhu, Z H; Meguid, M J

2011-01-01

We have developed an improved three-dimensional (3D) percolation model to investigate the effect of the alignment of carbon nanotubes (CNTs) on the electrical conductivity of nanocomposites. In this model, both intrinsic and contact resistances are considered, and a new method of resistor network recognition that employs periodically connective paths is developed. This method leads to a reduction in the size effect of the representative cuboid in our Monte Carlo simulations. With this new technique, we were able to effectively analyze the effects of the CNT alignment upon the electrical conductivity of nanocomposites. Our model predicted that the peak value of the conductivity occurs for partially aligned rather than perfectly aligned CNTs. It has also identified the value of the peak and the corresponding alignment for different volume fractions of CNTs. Our model works well for both multi-wall CNTs (MWCNTs) and single-wall CNTs (SWCNTs), and the numerical results show a quantitative agreement with existing experimental observations.

First-principles determination of band-to-band electronic transition energies in cubic and hexagonal AlGaInN alloys

Directory of Open Access Journals (Sweden)

F. L. Freitas

2016-08-01

Full Text Available We provide approximate quasiparticle-corrected band gap energies for quaternary cubic and hexagonal AlxGayIn1–x–yN semiconductor alloys, employing a cluster expansion method to account for the inherent statistical disorder of the system. Calculated values are compared with photoluminescence measurements and discussed within the currently accepted model of emission in these materials by carrier localization. It is shown that bowing parameters are larger in the cubic phase, while the range of band gap variation is bigger in the hexagonal one. Experimentally determined transition energies are mostly consistent with band-to-band excitations.

First-principles determination of band-to-band electronic transition energies in cubic and hexagonal AlGaInN alloys

Energy Technology Data Exchange (ETDEWEB)

Freitas, F. L., E-mail: felipelopesfreitas@gmail.com; Marques, M.; Teles, L. K. [Grupo de Materiais Semicondutores e Nanotecnologia, Instituto Tecnológico de Aeronáutica, 12228-900 São José dos Campos, SP (Brazil)

2016-08-15

We provide approximate quasiparticle-corrected band gap energies for quaternary cubic and hexagonal Al{sub x}Ga{sub y}In{sub 1–x–y}N semiconductor alloys, employing a cluster expansion method to account for the inherent statistical disorder of the system. Calculated values are compared with photoluminescence measurements and discussed within the currently accepted model of emission in these materials by carrier localization. It is shown that bowing parameters are larger in the cubic phase, while the range of band gap variation is bigger in the hexagonal one. Experimentally determined transition energies are mostly consistent with band-to-band excitations.

Anomalous conductivity noise in gapped bilayer graphene heterostructure

Science.gov (United States)

Aamir, Mohammed Ali; Karnatak, Paritosh; Sai, T. Phanindra; Ghosh, Arindam

Bilayer graphene has unique electronic properties - it has a tunable band gap and also, valley symmetry and pseudospin degree of freedom like its single layer counterpart. In this work, we present a study of conductance fluctuations in dual gated bilayer graphene heterostructures by varying the Fermi energy and the band gap independently. At a fixed band gap, we find that the conductance fluctuations obtained by Fermi energy ensemble sampling increase rapidly as the Fermi energy is tuned to charge neutrality point (CNP) whereas the time-dependent conductance fluctuations diminish rapidly. This discrepancy is completely absent at higher number densities, where the transport is expected to be through the 2D bulk of the bilayer system. This observation indicates that near the CNP, electrical transport is highly sensitive to Fermi energy, but becomes progressively immune to time-varying disorder. A possible explanation may involve transport via edge states which becomes the dominant conduction mechanism when the bilayer graphene is gapped and Fermi energy is situated close to the CNP, thereby causing a dimensional crossover from 2D to 1D transport. Our experiment outlines a possible experimental protocol to probe intrinsic topological states in gapped bilayer graphene.

Modeling and design of an X-band rf photoinjector

Directory of Open Access Journals (Sweden)

R. A. Marsh

2012-10-01

Full Text Available A design for an X-band rf photoinjector that was developed jointly by SLAC National Accelerator Laboratory (SLAC and Lawrence Livermore National Laboratory (LLNL is presented. The photoinjector is based around a 5.59 cell rf gun that has state-of-the-art features including: elliptical contoured irises; improved mode separation; an optimized initial half cell length; a racetrack input coupler; and coupling that balances pulsed heating with cavity fill time. Radio-frequency and beam dynamics modeling have been done using a combination of codes including PARMELA, HFSS, IMPACT-T, ASTRA, and the ACE3P suite of codes developed at SLAC. The impact of lower gradient operation, magnet misalignment, solenoid multipole errors, beam offset, mode beating, wakefields, and beam line symmetry have been analyzed and are described. Fabrication and testing plans at both LLNL and SLAC are discussed.

A Shear Banding Model for Penetration Calculations

Science.gov (United States)

2000-04-01

mechanism of strength reduction to zero within a shear band in three different steels, includ- ing AISI 4340 with RHC 44, which is reasonably similar to RHA...TECH LIB CHINA LAKE CA 93555-6001 CDR NAVAL SUR WAR CTR C S COFFEY PPARK FZERILLI CODE 4140 R K GARRET JR JMCKIRGAN TECH LIB 101 STRAUSS AVE

An analysis of collegiate band directors' exposure to sound pressure levels

Science.gov (United States)

Roebuck, Nikole Moore

Noise-induced hearing loss (NIHL) is a significant but unfortunate common occupational hazard. The purpose of the current study was to measure the magnitude of sound pressure levels generated within a collegiate band room and determine if those sound pressure levels are of a magnitude that exceeds the policy standards and recommendations of the Occupational Safety and Health Administration (OSHA), and the National Institute of Occupational Safety and Health (NIOSH). In addition, reverberation times were measured and analyzed in order to determine the appropriateness of acoustical conditions for the band rehearsal environment. Sound pressure measurements were taken from the rehearsal of seven collegiate marching bands. Single sample t test were conducted to compare the sound pressure levels of all bands to the noise exposure standards of OSHA and NIOSH. Multiple regression analysis were conducted and analyzed in order to determine the effect of the band room's conditions on the sound pressure levels and reverberation times. Time weighted averages (TWA), noise percentage doses, and peak levels were also collected. The mean Leq for all band directors was 90.5 dBA. The total accumulated noise percentage dose for all band directors was 77.6% of the maximum allowable daily noise dose under the OSHA standard. The total calculated TWA for all band directors was 88.2% of the maximum allowable daily noise dose under the OSHA standard. The total accumulated noise percentage dose for all band directors was 152.1% of the maximum allowable daily noise dose under the NIOSH standards, and the total calculated TWA for all band directors was 93dBA of the maximum allowable daily noise dose under the NIOSH standard. Multiple regression analysis revealed that the room volume, the level of acoustical treatment and the mean room reverberation time predicted 80% of the variance in sound pressure levels in this study.

First-principle natural band alignment of GaN / dilute-As GaNAs alloy

Directory of Open Access Journals (Sweden)

Chee-Keong Tan

2015-01-01

Full Text Available Density functional theory (DFT calculations with the local density approximation (LDA functional are employed to investigate the band alignment of dilute-As GaNAs alloys with respect to the GaN alloy. Conduction and valence band positions of dilute-As GaNAs alloy with respect to the GaN alloy on an absolute energy scale are determined from the combination of bulk and surface DFT calculations. The resulting GaN / GaNAs conduction to valence band offset ratio is found as approximately 5:95. Our theoretical finding is in good agreement with experimental observation, indicating the upward movements of valence band at low-As content dilute-As GaNAs are mainly responsible for the drastic reduction of the GaN energy band gap. In addition, type-I band alignment of GaN / GaNAs is suggested as a reasonable approach for future device implementation with dilute-As GaNAs quantum well, and possible type-II quantum well active region can be formed by using InGaN / dilute-As GaNAs heterostructure.

Magnetic anisotropy and anisotropic ballistic conductance of thin magnetic wires

International Nuclear Information System (INIS)

Sabirianov, R.

2006-01-01

The magnetocrystalline anisotropy of thin magnetic wires of iron and cobalt is quite different from the bulk phases. The spin moment of monatomic Fe wire may be as high as 3.4 μ B , while the orbital moment as high as 0.5 μ B . The magnetocrystalline anisotropy energy (MAE) was calculated for wires up to 0.6 nm in diameter starting from monatomic wire and adding consecutive shells for thicker wires. I observe that Fe wires exhibit the change sign with the stress applied along the wire. It means that easy axis may change from the direction along the wire to perpendicular to the wire. We find that ballistic conductance of the wire depends on the direction of the applied magnetic field, i.e. shows anisotropic ballistic magnetoresistance. This effect occurs due to the symmetry dependence of the splitting of degenerate bands in the applied field which changes the number of bands crossing the Fermi level. We find that the ballistic conductance changes with applied stress. Even for thicker wires the ballistic conductance changes by factor 2 on moderate tensile stain in our 5x4 model wire. Thus, the ballistic conductance of magnetic wires changes in the applied field due to the magnetostriction. This effect can be observed as large anisotropic BMR in the experiment

The carrier transport mechanism and band offset at the interface of ZnO/n-Si(111) heterojunction

Energy Technology Data Exchange (ETDEWEB)

Li, Yapeng, E-mail: liyp1984@126.com [School of Materials Science and Engineering, Shaanxi University of Technology, Hanzhong 723001 (China); Li, Yingfeng [School of Electrical Engineering, Shaanxi University of Technology, Hanzhong 723001 (China); Wang, Jianyuan [School of Nature and Applied Science, Northwestern Polytechnical University, Xi' an 710072 (China); He, Zhirong; Zhang, Yonghong; Yu, Qi; Hou, Juncai [School of Materials Science and Engineering, Shaanxi University of Technology, Hanzhong 723001 (China)

2017-05-15

Highlights: • The carrier transport deviated from ideal thermionic emission model. • One deep level present at the interface of ZnO/n-Si(111) heterojunction. • The band offsets of ZnO/n-Si(111) heterojunction are a type-II band alignment. - Abstract: The ZnO films were deposited on the surface of n-Si(111) substrate by pulsed laser deposition for fabrication of ZnO/n-Si(111) heterojunction. The carrier transport mechanism, deep level defects and band offsets at the interface of ZnO/n-Si(111) heterojunction were investigated by current- voltage measurement, deep level transient spectroscopy, X-ray photoelectron spectroscopy, respectively. The results showed that the barrier height and ideality factor values varied in the different linear voltage range by using the thermionic emission model, which was due to the deep level participated in carrier transport. Meanwhile, it was found that one deep level appeared at the interface of ZnO/n-Si(111) heterojunction with densities of the deep level about 8.5 × 10{sup 16} cm{sup −3} and activation energies about 224 m eV, which originated from O{sup 2−} vacancies of ZnO films. In addition, the valence band offset of the ZnO/n-Si(111) heterojunction can be calculated to be −2.4 ± 0.15 eV. The conduction band offset is deduced to be −3.5 ± 0.15 eV from the valence band offset value, indicating that the band offsets of ZnO/n-Si(111) heterojunction is a type-II band alignment.

The 3 micron ice band

International Nuclear Information System (INIS)

Greenberg, J.M.; Bult, C.E.P.M. van de

1984-01-01

Ever since it was proposed that H 2 O could be a dominant constituent of interstellar grains, its detection, or lack thereof, has played a large role in theories of grains and their evolution. It now appears possible to provide a basic theoretical structure for the evolution of grains in molecular clouds based on current observational evidence and laboratory experiments on the ice band. Both band strengths and shapes can be reasonably predicted by grain models. (U.K.)

Additive manufacturing of Ka-band antennas for wireless communications

DEFF Research Database (Denmark)

Armendariz, Unai; Rommel, Simon; Rodríguez Páez, Juan Sebastián

2016-01-01

This paper presents the design and fabrication of WR-28 waveguide horn antennas operating in the Ka-band frequency range between 26.5 GHz and 40 GHz through 3D printing. Three different antennas are fabricated from polylactide acid filaments in conductive and non-conductive variants; the latter i...

Bands dispersion and charge transfer in β-BeH2

Science.gov (United States)

Trivedi, D. K.; Galav, K. L.; Joshi, K. B.

2018-04-01

Predictive capabilities of ab-initio method are utilised to explore bands dispersion and charge transfer in β-BeH2. Investigations are carried out using the linear combination of atomic orbitals method at the level of density functional theory. The crystal structure and related parameters are settled by coupling total energy calculations with the Murnaghan equation of state. Electronic bands dispersion from PBE-GGA is reported. The PBE-GGA, and PBE0 hybrid functional, show that β-BeH2 is a direct gap semiconductor with 1.18 and 2.40 eV band gap. The band gap slowly decreases with pressure and beyond l00 GPa overlap of conduction and valence bands at the r point is observed. Charge transfer is studied by means of Mullikan population analysis.

Impact of substrate on performance of band gap engineered graphene field effect transistor

Science.gov (United States)

Tiwari, Durgesh Laxman; Sivasankaran, K.

2018-01-01

In this paper, we investigate the graphene field effect transistor (G-FET) to enhance the drain current saturation and to minimize the drain conductance (gd) using numerical simulation. This work focus on suppressing the drain conductance using silicon substrate. We studied the impact of different substrate on the performance of band gap engineered G-FET device. We used a non-equilibrium green function with mode space (NEGF_MS) to model the transport behavior of carriers for 10 nm channel length G-FET device. We compared the drain current saturation of G-FET at higher drain voltage regime on silicon, SiC, and the SiO2 substrate. This paper clearly demonstrates the effect of substrate on an electric field near drain region of G-FET device. It is shown that the substrate of G-FET is not only creating a band gap in graphene, which is important for current saturation and gd minimization, but also selection of suitable substrate can suppress generation of carrier concentration near drain region is also important.

An Empirical Study on Washback Effects of the Internet-Based College English Test Band 4 in China

Science.gov (United States)

Wang, Chao; Yan, Jiaolan; Liu, Bao

2014-01-01

Based on Bailey's washback model, in respect of participants, process and products, the present empirical study was conducted to find the actual washback effects of the internet-based College English Test Band 4 (IB CET-4). The methods adopted are questionnaires, class observation, interview and the analysis of both the CET-4 teaching and testing…

Modeling C-band single scattering properties of hydrometeors using discrete-dipole approximation and T-matrix method

International Nuclear Information System (INIS)

Tyynelae, Jani; Nousiainen, Timo; Goeke, Sabine; Muinonen, Karri

2009-01-01

We study the applicability of the discrete-dipole approximation by modeling centimeter (C-band) radar echoes for hydrometeors, and compare the results to exact theories. We use ice and water particles of various shapes with varying water-content to investigate how the backscattering, extinction, and absorption cross sections change as a function of particle radius. We also compute radar parameters, such as the differential reflectivity, the linear depolarization ratio, and the copolarized correlation coefficient. We find that using discrete-dipole approximation (DDA) to model pure ice and pure water particles at the C-band, is a lot more accurate than particles containing both ice and water. For coated particles, a large grid-size is recommended so that the coating is modeled adequately. We also find that the absorption cross section is significantly less accurate than the scattering and backscattering cross sections. The accuracy of DDA can be increased by increasing the number of dipoles, but also by using the filtered coupled dipole-option for the polarizability. This halved the relative errors in cross sections.

Keeping the band together: evidence for false boundary disruptive coloration in a butterfly.

Science.gov (United States)

Seymoure, B M; Aiello, A

2015-09-01

There is a recent surge of evidence supporting disruptive coloration, in which patterns break up the animal's outline through false edges or boundaries, increasing survival in animals by reducing predator detection and/or preventing recognition. Although research has demonstrated that false edges are successful for reducing predation of prey, research into the role of internal false boundaries (i.e. stripes and bands) in reducing predation remains warranted. Many animals have stripes and bands that may function disruptively. Here, we test the possible disruptive function of wing band patterning in a butterfly, Anartia fatima, using artificial paper and plasticine models in Panama. We manipulated the band so that one model type had the band shifted to the wing margin (nondisruptive treatment) and another model had a discontinuous band located on the wing margin (discontinuous edge treatment). We kept the natural wing pattern to represent the false boundary treatment. Across all treatment groups, we standardized the area of colour and used avian visual models to confirm a match between manipulated and natural wing colours. False boundary models had higher survival than either the discontinuous edge model or the nondisruptive model. There was no survival difference between the discontinuous edge model and the nondisruptive model. Our results demonstrate the importance of wing bands in reducing predation on butterflies and show that markings set in from the wing margin can reduce predation more effectively than marginal bands and discontinuous marginal patterns. This study demonstrates an adaptive benefit of having stripes and bands. © 2015 European Society For Evolutionary Biology.

Density Functional Theory Calculation of the Band Alignment of (101̅0) In(x)Ga(1-x)N/Water Interfaces.

Science.gov (United States)

Meng, Andrew C; Cheng, Jun; Sprik, Michiel

2016-03-03

Conduction band edge (CBE) and valence band edge (VBE) positions of InxGa1-xN photoelectrodes were computed using density functional theory methods. The band edges of fully solvated GaN and InN model systems were aligned with respect to the standard hydrogen electrode using a molecular dynamics hydrogen electrode scheme applied earlier to TiO2/water interfaces. Similar to the findings for TiO2, we found that the Purdew-Burke-Ernzerhof (PBE) functional gives a VBE potential which is too negative by 1 V. This cathodic bias is largely corrected by application of the Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional containing a fraction of Hartree-Fock exchange. The effect of a change of composition was investigated using simplified model systems consisting of vacuum slabs covered on both sides by one monolayer of H2O. The CBE was found to vary linearly with In content. The VBE, in comparison, is much less sensitive to composition. The data show that the band edges straddle the hydrogen and oxygen evolution potentials for In fractions less than 47%. The band gap was found to exceed 2 eV for an In fraction less than 54%.

Tunneling emission of electrons from semiconductors' valence bands in high electric fields

International Nuclear Information System (INIS)

Kalganov, V. D.; Mileshkina, N. V.; Ostroumova, E. V.

2006-01-01

Tunneling emission currents of electrons from semiconductors to vacuum (needle-shaped GaAs photodetectors) and to a metal (silicon metal-insulator-semiconductor diodes with a tunneling-transparent insulator layer) are studied in high and ultrahigh electric fields. It is shown that, in semiconductors with the n-type conductivity, the major contribution to the emission current is made by the tunneling emission of electrons from the valence band of the semiconductor, rather than from the conduction band

Symmetry breaking and the fermionic fractional Chern insulator in topologically trivial bands

Science.gov (United States)

Kourtis, Stefanos

2018-02-01

We describe a mechanism by which fermions in topologically trivial bands can form correlated states exhibiting a fractional quantum Hall (FQH) effect upon introduction of strong repulsive interactions. These states are solid-liquid composites, in which a FQH liquid is induced by the formation of charge order (CO), following a recently proposed paradigm of symmetry-breaking topological (SBT) order [Phys. Rev. Lett. 113, 216404 (2014), 10.1103/PhysRevLett.113.216404]. We devise a spinless fermion model on a triangular lattice, featuring a topologically trivial phase when interactions are omitted. Adding strong short-range repulsion, we first establish a repulsion-driven CO phase at density ρCO=2 /3 particles per site, then dope the model to higher densities ρ =ρCO+ν /6 . At ν =1 /3 ,2 /5 (ρ =13 /18 ,11 /15 ) we observe definitive signatures of both CO and the FQH effect—a sharply peaked static structure factor, gapped and degenerate energy spectrum, and fractionally quantized Hall conductivity σH=1 /3 ,2 /5 in units of e2/h —over a range of all model parameters. We thus obtain direct evidence for fermionic SBT order of FQH type in topologically trivial bands.

Stability and special solutions to the conducting dusty gas model

International Nuclear Information System (INIS)

Calmelet, C.J.

1987-01-01

Models of the flow of a dusty, conducting and non-conducting gas are examined. Exact solutions for a conducting dusty gas model in the presence of a magnetic field are developed for two different flow domains. The exact solutions are calculated in the cases of negligible and non-negligible induced magnetic field. Stability theorems are developed which depend on the flow parameters of the dusty gas and the magnetic field. In particular, a universal stability theorem is obtained when the dusty gas flow is electrically conducting in the presence of an applied magnetic field, and the dust particles are non-uniformly distributed

Band gaps for the relativistic Mathieu potential

International Nuclear Information System (INIS)

Clerk, G.J.; McKellar, B.H.J.

1992-01-01

A study of the band structure of a massless particle in a cosine potential is made via the Dirac equation. It is shown that every alternate band gap disappears as a consequence of a periodicity of the potential combined with a peculiar symmetry of the Dirac equation. This basic potential is then used to study a simple one-dimensional model of the nucleus from which it is ascertained that modelling the mean field of the quarks in the nucleus via a pure scalar potential is unsatisfactory. A simple extension involving a combined scalar and vector potential is then proposed as a possible solution to this problem. The effect of the addition of this vector component to the band structure is also investigated. 32 refs

Ultrawide band gap amorphous oxide semiconductor, Ga–Zn–O

Energy Technology Data Exchange (ETDEWEB)

Kim, Junghwan, E-mail: JH.KIM@lucid.msl.titech.ac.jp [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-4, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Miyokawa, Norihiko; Sekiya, Takumi; Ide, Keisuke [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-4, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Toda, Yoshitake [Materials Research Center for Element Strategy, Tokyo Institute of Technology, Mailbox SE-6, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Hiramatsu, Hidenori; Hosono, Hideo; Kamiya, Toshio [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-4, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, Mailbox SE-6, 4259 Nagatsuta, Midori-ku, Yokohama (Japan)

2016-09-01

We fabricated amorphous oxide semiconductor films, a-(Ga{sub 1–x}Zn{sub x})O{sub y}, at room temperature on glass, which have widely tunable band gaps (E{sub g}) ranging from 3.47–4.12 eV. The highest electron Hall mobility ~ 7 cm{sup 2} V{sup −1} s{sup −1} was obtained for E{sub g} = ~ 3.8 eV. Ultraviolet photoemission spectroscopy revealed that the increase in E{sub g} with increasing the Ga content comes mostly from the deepening of the valence band maximum level while the conduction band minimum level remains almost unchanged. These characteristics are explained by their electronic structures. As these films can be fabricated at room temperature on plastic, this achievement extends the applications of flexible electronics to opto-electronic integrated circuits associated with deep ultraviolet region. - Highlights: • Incorporation of H/H{sub 2}O stabilizes the amorphous phase. • Ultrawide band gap (~ 3.8 eV) amorphous oxide semiconductor was fabricated. • The increase in band gap comes mostly from the deepening of the valence band maximum level. • Donor level is more likely aligned to the valence band maximum level.

Fractional single-phase-lagging heat conduction model for describing anomalous diffusion

Directory of Open Access Journals (Sweden)

T.N. Mishra

2016-03-01

Full Text Available The fractional single-phase-lagging (FSPL heat conduction model is obtained by combining scalar time fractional conservation equation to the single-phase-lagging (SPL heat conduction model. Based on the FSPL heat conduction model, anomalous diffusion within a finite thin film is investigated. The effect of different parameters on solution has been observed and studied the asymptotic behavior of the FSPL model. The analytical solution is obtained using Laplace transform method. The whole analysis is presented in dimensionless form. Numerical examples of particular interest have been studied and discussed in details.

Conductance in double quantum well systems

International Nuclear Information System (INIS)

Hasbun, J E

2003-01-01

The object of this paper is to review the electronic conductance in double quantum well systems. These are quantum well structures in which electrons are confined in the z direction by large band gap material barrier layers, yet form a free two-dimensional Fermi gas within the sandwiched low band gap material layers in the x-y plane. Aspects related to the conductance in addition to the research progress made since the inception of such systems are included. While the review focuses on the tunnelling conductance properties of double quantum well devices, the longitudinal conductance is also discussed. Double quantum well systems are a more recent generation of structures whose precursors are the well known double-barrier resonant tunnelling systems. Thus, they have electronic signatures such as negative differential resistance, in addition to resonant tunnelling, whose behaviours depend on the wavefunction coupling between the quantum wells. As such, the barrier which separates the quantum wells can be tailored in order to provide better control of the device's electronic properties over their single well ancestors. (topical review)

Strain gradient drives shear banding in metallic glasses

Science.gov (United States)

Tian, Zhi-Li; Wang, Yun-Jiang; Chen, Yan; Dai, Lan-Hong

2017-09-01

Shear banding is a nucleation-controlled process in metallic glasses (MGs) involving multiple temporal-spatial scales, which hinders a concrete understanding of its structural origin down to the atomic scale. Here, inspired by the morphology of composite materials, we propose a different perspective of MGs as a hard particle-reinforced material based on atomic-scale structural heterogeneity. The local stable structures indicated by a high level of local fivefold symmetry (L5FS) act as hard "particles" which are embedded in the relatively soft matrix. We demonstrate this concept by performing atomistic simulations of shear banding in CuZr MG. A shear band is prone to form in a sample with a high degree of L5FS which is slowly quenched from the liquid. An atomic-scale analysis on strain and the structural evolution reveals that it is the strain gradient effect that has originated from structural heterogeneity that facilitates shear transformation zones (STZs) to mature shear bands. An artificial composite model with a high degree of strain gradient, generated by inserting hard MG strips into a soft MG matrix, demonstrates a great propensity for shear banding. It therefore confirms the critical role strain gradient plays in shear banding. The strain gradient effect on shear banding is further quantified with a continuum model and a mechanical instability analysis. These physical insights might highlight the strain gradient as the hidden driving force in transforming STZs into shear bands in MGs.

Magnetism and magnetostriction in a degenerate rigid band

International Nuclear Information System (INIS)

Kulakowski, K.; Barbara, B.

1990-09-01

We investigate the influence of the spin-orbit coupling on the magnetic and magnetoelastic phenomena in ferromagnetic band systems. The description is within the Stoner model of a degenerate rigid band, for temperature T = O. (author). 14 refs

Band engineering and rational design of high-performance thermoelectric materials by first-principles

Directory of Open Access Journals (Sweden)

Lili Xi

2016-06-01

Full Text Available Understanding and manipulation of the band structure are important in designing high-performance thermoelectric (TE materials. Our recent work has involved the utilization of band structure in various topics of TE research, i.e., the band convergence, the conductive network, dimensionality reduction by quantum effects, and high throughput material screening. In non-cubic chalcopyrite compounds, we revealed the relations between structural factors and band degeneracy, and a simple unity-η rule was proposed for selecting high performance diamond-like TE materials. Based on the deep understanding of the electrical and thermal transport, we identified the conductive network in filled skutterudites with the “phonon glass-electron crystal” (PGEC paradigm, and extended this concept to caged-free Cu-based diamond-like compounds. By combining the band structure calculations and the Boltzmann transport theory, we conducted a high-throughput material screening in half-Heusler (HH systems, and several promising compositions with high power factors were proposed out of a large composition collection. At last, we introduced the Rashba spin-splitting effect into thermoelectrics, and its influence on the electrical transport properties was discussed. This review demonstrated the importance of the microscopic perspectives for the optimization and design of novel TE materials.

Magnetotelluric Forward Modeling and Inversion In 3 -d Conductivity Model of The Vesuvio Volcano

Science.gov (United States)

Spichak, V.; Patella, D.

Three-dimensional forward modeling of MT fields in the simplified conductivity model of the Vesuvio volcano (T=0.1, 1, 10, 100 and 1000s) indicates that the best image of the magma chamber could be obtained basing on the pseudo-section of the determinant apparent resitivity phase as well as on the real and imaginary components of the electric field. Another important result of the studies conducted is that it was demonstrated the principal opportunity of detection and contouring the magma chamber by 2-D pseudo-sections constructed basing on the data transforms mentioned above. Bayesian three-dimensional inversion of synthetic MT data in the volcano model indicates that it is possible to determine the depth and vertical size of the magma chamber, however, simultaneous detection of the conductivity distribution inside the domain of search is of pure quality. However, if the geometrical parameters of the magma chamber are determined in advance, it becomes quite realistic to find out the conductivity distribution inside. The accuracy of such estimation strongly depends on the uncertainty in its prior value: the more narrow is the prior conductivity palette the closer could be the posterior conductivity distribution to the true one.

Response of Thematic Mapper bands to plant water stress

Science.gov (United States)

Cibula, W. G.; Zetka, E. F.; Rickman, D. L.

1992-01-01

Changes in leaf reflectance as water content decreases have been hypothesized to occur in the 1.55-1.75 and 2.08-2.35 micron wavelength regions. To evaluate this hypothesis, studies were conducted on ryegrass (Lolium multiflorum Lam.) and oats (Avena sativa L.), which were grown in a controlled, outdoor situation. Both fully-watered control beds and water-stressed beds were periodically examined with a spectroradiometer calibrated against a reflectance reference of polytetrafluoroethylene. The observed changes correspond to those predicted by stochastic leaf models employed by other investigators (leaf reflection increases in the 1.55-1.75 micron region as leaf water content decreases). Although the percentage changes in TM bands 1-3 are nearly as great as those found in TM bands 5 and 7, the absolute values of reflectance change are much lower. It is believed that these patterns are probably characteristic of a broad range of vegetation types. In terms of phenomena detection, these patterns should be considered in any practical remote sensing sensor scenario.

A Novel Ku-Band/Ka-Band and Ka-Band/E-Band Multimode Waveguide Couplers for Power Measurement of Traveling-Wave Tube Amplifier Harmonic Frequencies

Science.gov (United States)

Wintucky, Edwin G.; Simons, Rainee N.

2015-01-01

This paper presents the design, fabrication and test results for a novel waveguide multimode directional coupler (MDC). The coupler, fabricated from two dissimilar frequency band waveguides, is capable of isolating power at the second harmonic frequency from the fundamental power at the output port of a traveling-wave tube (TWT) amplifier. Test results from proof-of-concept demonstrations are presented for a Ku-band/Ka-band MDC and a Ka-band/E-band MDC. In addition to power measurements at harmonic frequencies, a potential application of the MDC is in the design of a satellite borne beacon source for atmospheric propagation studies at millimeter-wave (mm-wave) frequencies (Ka-band and E-band).

A reconfigurable frequency-selective surface for dual-mode multi-band filtering applications

Science.gov (United States)

Majidzadeh, Maryam; Ghobadi, Changiz; Nourinia, Javad

2017-03-01

A reconfigurable single-layer frequency-selective surface (FSS) with dual-mode multi-band modes of operation is presented. The proposed structure is printed on a compact 10 × 10 mm2 FR4 substrate with the thickness of 1.6 mm. A simple square loop is printed on the front side while another one along with two defected vertical arms is deployed on the backside. To realise the reconfiguration, two pin diodes are embedded on the backside square loop. Suitable insertion of conductive elements along with pin diodes yields in dual-mode multi-band rejection of applicable in service frequency ranges. The first operating mode due to diodes' 'ON' state provides rejection of 2.4 GHz WLAN in 2-3 GHz, 5.2/5.8 GHz WLAN and X band in 5-12 GHz, and a part of Ku band in 13.9-16 GHz. In diodes 'OFF' state, the FSS blocks WLAN in 4-7.3 GHz, X band in 8-12.7 GHz as well as part of Ku band in 13.7-16.7 GHz. As well, high attenuation of incident waves is observed by a high shielding effectiveness (SE) in the blocked frequency bands. Also, a stable behaviour against different polarisations and angles of incidence is obtained. Comprehensive studies are conducted on a fabricated prototype to assess its performance from which encouraging results are obtained.

Does the chromatic Mach bands effect exist?

Science.gov (United States)

Tsofe, Avital; Spitzer, Hedva; Einav, Shmuel

2009-06-30

The achromatic Mach bands effect is a well-known visual illusion, discovered over a hundred years ago. This effect has been investigated thoroughly, mainly for its brightness aspect. The existence of Chromatic Mach bands, however, has been disputed. In recent years it has been reported that Chromatic Mach bands are not perceived under controlled iso-luminance conditions. However, here we show that a variety of Chromatic Mach bands, consisting of chromatic and achromatic regions, separated by a saturation ramp, can be clearly perceived under iso-luminance and iso-brightness conditions. In this study, observers' eye movements were recorded under iso-brightness conditions. Several observers were tested for their ability to perceive the Chromatic Mach bands effect and its magnitude, across different cardinal and non-cardinal Chromatic Mach bands stimuli. A computational model of color adaptation, which predicted color induction and color constancy, successfully predicts this variation of Chromatic Mach bands. This has been tested by measuring the distance of the data points from the "achromatic point" and by calculating the shift of the data points from predicted complementary lines. The results suggest that the Chromatic Mach bands effect is a specific chromatic induction effect.

Abrikosov flux-lines in two-band superconductors with mixed dimensionality

International Nuclear Information System (INIS)

Tanaka, K; Eschrig, M

2009-01-01

We study vortex structure in a two-band superconductor, in which one band is ballistic and quasi-two-dimensional (2D), and the other is diffusive and three-dimensional (3D). A circular cell approximation of the vortex lattice within the quasiclassical theory of superconductivity is applied to a recently developed model appropriate for such a two-band system (Tanaka et al 2006 Phys. Rev. B 73 220501(R); Tanaka et al 2007 Phys. Rev. B 75 214512). We assume that superconductivity in the 3D diffusive band is 'weak', i.e. mostly induced, as is the case in MgB 2 . Hybridization with the 'weak' 3D diffusive band has significant and intriguing influence on the electronic structure of the 'strong' 2D ballistic band. In particular, the Coulomb repulsion and the diffusivity in the 'weak' band enhance suppression of the order parameter and enlargement of the vortex core by magnetic field in the 'strong' band, resulting in reduced critical temperature and field. Moreover, increased diffusivity in the 'weak' band can result in an upward curvature of the upper critical field near the transition temperature. A particularly interesting feature found in our model is the appearance of additional bound states at the gap edge in the 'strong' ballistic band, which are absent in the single-band case. Furthermore, coupling with the 'weak' diffusive band leads to reduced bandgaps and van Hove singularities of energy bands of the vortex lattice in the 'strong' ballistic band. We find these intriguing features for parameter values appropriate for MgB 2 .

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

Benchmarking CCMI models' top-of-atmosphere flux in the 9.6-µm ozone band using AURA TES Instantaneous Radiative Kernel

Science.gov (United States)

Kuai, L.; Bowman, K. W.; Worden, H. M.; Paulot, F.; Paynter, D.; Oman, L.; Strode, S. A.; Rozanov, E.; Stenke, A.; Revell, L. E.; Plummer, D. A.

2017-12-01

The estimated ozone radiative forcing (RF) from chemical-climate models range widely from +0.2 to +0.6 Wm-2. The reason has never been well understood. Since the ozone absorption in the 9.6 μm band contributes 97% of the O3 longwave RF, the variation of outgoing longwave radiation (OLR) due to ozone is dominant by this band. The observed TOA flux over 9.6 µm ozone band by Thermal Emission Spectrometer (TES) shows the global distribution has unique spatial patterns. In addition, the simulated TOA fluxes over 9.6 µm ozone band by different models have never been evaluated against observations. The bias of TOA flux from model could be primarily contributed by the bias of temperature, water vapor and ozone. Furthermore, the sensitivity of TOA flux to tropospheric ozone (instantaneous radiative kernel, IRK) may also affected by these biases (Kuai et al., 2017). The bias in TOA flux would eventually propagate into model calculations of ozone RF and cause divergence of the predictions of future climate by models. In this study, we applied the observation-based IRK product by AURA TES to attribute the CCMI model bias in TOA flux over 9.6 µm ozone band to ozone, water vapor, air temperature, and surface temperature. The comparisons of the three CCMI models (AM3, SOCOL3 and GEOCCM) to TES observations suggest that 1) all models underestimate the TOA flux at tropics and subtropics. 2) The TOA flux bias is comparable similar by AM3 and GEOSCC (-0.2 to -0.3 W/m2) however is larger for the relative young model, SOCOL3 (-0.4 to -0.6 W/m2). 3) The contributions by surface temperature are similarly moderate (-0.2 W/m2). 4) The contribution of ozone is largest by SOCOL3 (-0.3 W/m2), smallest by GEOSCCM (less than 0.1 W/m2) and moderate by AM3 (-0.2 W/m2). 5) Overall, the contributions by atmospheric temperature are all small (less than 0.1 W/m2). 6) The contribution of water vapor is negative and small by both SOCOL3 and GEOSCCM (0.1 W/m2) however large and positive by AM3 (0

In vitro burn model illustrating heat conduction patterns using compressed thermal papers.

Science.gov (United States)

Lee, Jun Yong; Jung, Sung-No; Kwon, Ho

2015-01-01

To date, heat conduction from heat sources to tissue has been estimated by complex mathematical modeling. In the present study, we developed an intuitive in vitro skin burn model that illustrates heat conduction patterns inside the skin. This was composed of tightly compressed thermal papers with compression frames. Heat flow through the model left a trace by changing the color of thermal papers. These were digitized and three-dimensionally reconstituted to reproduce the heat conduction patterns in the skin. For standardization, we validated K91HG-CE thermal paper using a printout test and bivariate correlation analysis. We measured the papers' physical properties and calculated the estimated depth of heat conduction using Fourier's equation. Through contact burns of 5, 10, 15, 20, and 30 seconds on porcine skin and our burn model using a heated brass comb, and comparing the burn wound and heat conduction trace, we validated our model. The heat conduction pattern correlation analysis (intraclass correlation coefficient: 0.846, p < 0.001) and the heat conduction depth correlation analysis (intraclass correlation coefficient: 0.93, p < 0.001) showed statistically significant high correlations between the porcine burn wound and our model. Our model showed good correlation with porcine skin burn injury and replicated its heat conduction patterns. © 2014 by the Wound Healing Society.

Reduction in pediatric identification band errors: a quality collaborative.

Science.gov (United States)

Phillips, Shannon Connor; Saysana, Michele; Worley, Sarah; Hain, Paul D

2012-06-01

Accurate and consistent placement of a patient identification (ID) band is used in health care to reduce errors associated with patient misidentification. Multiple safety organizations have devoted time and energy to improving patient ID, but no multicenter improvement collaboratives have shown scalability of previously successful interventions. We hoped to reduce by half the pediatric patient ID band error rate, defined as absent, illegible, or inaccurate ID band, across a quality improvement learning collaborative of hospitals in 1 year. On the basis of a previously successful single-site intervention, we conducted a self-selected 6-site collaborative to reduce ID band errors in heterogeneous pediatric hospital settings. The collaborative had 3 phases: preparatory work and employee survey of current practice and barriers, data collection (ID band failure rate), and intervention driven by data and collaborative learning to accelerate change. The collaborative audited 11377 patients for ID band errors between September 2009 and September 2010. The ID band failure rate decreased from 17% to 4.1% (77% relative reduction). Interventions including education of frontline staff regarding correct ID bands as a safety strategy; a change to softer ID bands, including "luggage tag" type ID bands for some patients; and partnering with families and patients through education were applied at all institutions. Over 13 months, a collaborative of pediatric institutions significantly reduced the ID band failure rate. This quality improvement learning collaborative demonstrates that safety improvements tested in a single institution can be disseminated to improve quality of care across large populations of children.

Mars Global Surveyor Ka-Band Frequency Data Analysis

Science.gov (United States)

Morabito, D.; Butman, S.; Shambayati, S.

2000-01-01

for the feed and electronics equipment. A dichroic plate is used to reflect the X-band energy and pass the Ka-band energy to another mirror. The RF energy for each band is then focused onto a feed horn and low-noise amplifier package. After amplification and RF/IF downconversion, the IF signals are sent to the Experimental Tone Tracker (ETT), a digital phase-lock-loop receiver, which simultaneously tracks both X-band and Ka-band carrier signals. Once a signal is detected, the ETT outputs estimates of the SNR in a I -Hz bandwidth (Pc/No), baseband phase and frequency of the signals every I -sec. Between December 1996 and December 1998, the Ka-band and X-band signals from MGS were tracked on a regular basis using the ETT. The Ka-band downlink frequencies described here were referenced to the spacecraft's on-board USO which was also the X-band frequency reference (fka= 3.8 fx). The ETT estimates of baseband phase at I -second sampled time tags were converted to sky frequency estimates. Frequency residuals were then generated for each band by removing a model frequency from each observable frequency at each time tag. The model included Doppler and other effects derived from spacecraft trajectory files obtained from the MGS Navigation Team. A simple troposphere correction was applied to the data. In addition to residuals, the USO frequencies emitted by the spacecraft were estimated. For several passes, the USO frequencies were determined from X-band data and from Ka-band data (referred to X-band by dividing by 3.8) and were found to be in good agreement. In addition, X-band USO frequency estimates from MGS Radio Science data acquired from operational DSN stations were available for comparison and were found to agree within the I Hz level. The remaining sub-Hertz differences were attributed to the different models and software algorithms used by MGS Radio Science and KaBLE-11. A summary of the results of a linear fit of the USO frequency versus time (day of year) is

Modeling of thermal conductivity of nanofluids by modifying Maxwell’s equation using cell model approach

International Nuclear Information System (INIS)

Mehta, Siddharth; Chauhan, K. Prashanth; Kanagaraj, S.

2011-01-01

Nanofluid is an innovative heat transfer fluid with superior potential for enhancing the heat transfer performance of conventional fluids. Though many attempts have been made to investigate the abnormal high thermal conductivity of nanofluids, the existing models cannot precisely predict the same. An attempt has been made to develop a model for predicting the thermal conductivity of different types of nanofluids. The model presented here is derived based on the fact that thermal conductivity of nanofluids depends on thermal conductivity of particle and fluid as well as micro-convective heat transfer due to Brownian motion of nanoparticles. Novelty of the article lies in giving a unique equation which predicts thermal conductivity of nanofluids for different concentrations and particle sizes which also correctly predicts the trends observed in experimental data over a wide range of particle sizes, temperatures, and particle concentrations.

Determination of density of band-gap states of hydrogenated amorphous silicon suboxide thin films

International Nuclear Information System (INIS)

Bacioglu, A.

2005-01-01

Variation of density of gap states of PECVD silicon suboxide films with different oxygen concentrations was evaluated through electrical and optical measurements. Optical transmission and constant photocurrent method (CPM) were used to determine absorption coefficient as a function of photon energy. From these measurements the localized density of states between the valance band mobility edge and Fermi level has been determined. To determine the variation of conduction band edge, steady state photoconductivity (SSPC), photoconductivity response time (PCRT) and transient photoconductivity (TPC) measurements were utilized. Results indicate that the conduction and valance band edges, both, widen monotonically with oxygen content

Thermoelectric band engineering: The role of carrier scattering

Science.gov (United States)

Witkoske, Evan; Wang, Xufeng; Lundstrom, Mark; Askarpour, Vahid; Maassen, Jesse

2017-11-01

Complex electronic band structures, with multiple valleys or bands at the same or similar energies, can be beneficial for thermoelectric performance, but the advantages can be offset by inter-valley and inter-band scattering. In this paper, we demonstrate how first-principles band structures coupled with recently developed techniques for rigorous simulation of electron-phonon scattering provide the capabilities to realistically assess the benefits and trade-offs associated with these materials. We illustrate the approach using n-type silicon as a model material and show that intervalley scattering is strong. This example shows that the convergence of valleys and bands can improve thermoelectric performance, but the magnitude of the improvement depends sensitively on the relative strengths of intra- and inter-valley electron scattering. Because anisotropy of the band structure also plays an important role, a measure of the benefit of band anisotropy in the presence of strong intervalley scattering is presented.

[Exploring novel hyperspectral band and key index for leaf nitrogen accumulation in wheat].

Science.gov (United States)

Yao, Xia; Zhu, Yan; Feng, Wei; Tian, Yong-Chao; Cao, Wei-Xing

2009-08-01

The objectives of the present study were to explore new sensitive spectral bands and ratio spectral indices based on precise analysis of ground-based hyperspectral information, and then develop regression model for estimating leaf N accumulation per unit soil area (LNA) in winter wheat (Triticum aestivum L.). Three field experiments were conducted with different N rates and cultivar types in three consecutive growing seasons, and time-course measurements were taken on canopy hyperspectral reflectance and LNA tinder the various treatments. By adopting the method of reduced precise sampling, the detailed ratio spectral indices (RSI) within the range of 350-2 500 nm were constructed, and the quantitative relationships between LNA (gN m(-2)) and RSI (i, j) were analyzed. It was found that several key spectral bands and spectral indices were suitable for estimating LNA in wheat, and the spectral parameter RSI (990, 720) was the most reliable indicator for LNA in wheat. The regression model based on the best RSI was formulated as y = 5.095x - 6.040, with R2 of 0.814. From testing of the derived equations with independent experiment data, the model on RSI (990, 720) had R2 of 0.847 and RRMSE of 24.7%. Thus, it is concluded that the present hyperspectral parameter of RSI (990, 720) and derived regression model can be reliably used for estimating LNA in winter wheat. These results provide the feasible key bands and technical basis for developing the portable instrument of monitoring wheat nitrogen status and for extracting useful spectral information from remote sensing images.

Current amplification models of sensorineurall and conductive hearing loss

OpenAIRE

Ostojić, Sanja; Mikić, Branka; Mirić, Danica

2012-01-01

The main function of a hearing aid is to improve auditory and language abilities of hearing impaired users. The amplification model has to be adapted according to age, degree and type of hearing loss. The goal of this paper is to analyze the current amplification models of sensorineural and conductive hearing loss which can provide a high quality of speech perception and sounds at any degree of hearing loss. The BAHA is a surgically implantable system for treatment of conductive hearing loss ...

Band structure of Si/Ge core-shell nanowires along the [110] direction modulated by external uniaxial strain

International Nuclear Information System (INIS)

Peng Xihong; Tang Fu; Logan, Paul

2011-01-01

Strain modulated electronic properties of Si/Ge core-shell nanowires along the [110] direction were reported, on the basis of first principles density-functional theory calculations. In particular, the energy dispersion relationship of the conduction/valence band was explored in detail. At the Γ point, the energy levels of both bands are significantly altered by applied uniaxial strain, which results in an evident change of the band gap. In contrast, for the K vectors far away from Γ, the variation of the conduction/valence band with strain is much reduced. In addition, with a sufficient tensile strain (∼1%), the valence band edge shifts away from Γ, which indicates that the band gap of the Si/Ge core-shell nanowires experiences a transition from direct to indirect. Our studies further showed that effective masses of charge carriers can also be tuned using the external uniaxial strain. The effective mass of the hole increases dramatically with tensile strain, while strain shows a minimal effect on tuning the effective mass of the electron. Finally, the relation between strain and the conduction/valence band edge is discussed thoroughly in terms of site-projected wavefunction characters.

Particle Simulation of Oxidation Induced Band 3 Clustering in Human Erythrocytes.

Directory of Open Access Journals (Sweden)

Hanae Shimo

2015-06-01

Full Text Available Oxidative stress mediated clustering of membrane protein band 3 plays an essential role in the clearance of damaged and aged red blood cells (RBCs from the circulation. While a number of previous experimental studies have observed changes in band 3 distribution after oxidative treatment, the details of how these clusters are formed and how their properties change under different conditions have remained poorly understood. To address these issues, a framework that enables the simultaneous monitoring of the temporal and spatial changes following oxidation is needed. In this study, we established a novel simulation strategy that incorporates deterministic and stochastic reactions with particle reaction-diffusion processes, to model band 3 cluster formation at single molecule resolution. By integrating a kinetic model of RBC antioxidant metabolism with a model of band 3 diffusion, we developed a model that reproduces the time-dependent changes of glutathione and clustered band 3 levels, as well as band 3 distribution during oxidative treatment, observed in prior studies. We predicted that cluster formation is largely dependent on fast reverse reaction rates, strong affinity between clustering molecules, and irreversible hemichrome binding. We further predicted that under repeated oxidative perturbations, clusters tended to progressively grow and shift towards an irreversible state. Application of our model to simulate oxidation in RBCs with cytoskeletal deficiency also suggested that oxidation leads to more enhanced clustering compared to healthy RBCs. Taken together, our model enables the prediction of band 3 spatio-temporal profiles under various situations, thus providing valuable insights to potentially aid understanding mechanisms for removing senescent and premature RBCs.

Particle Simulation of Oxidation Induced Band 3 Clustering in Human Erythrocytes.

Science.gov (United States)

Shimo, Hanae; Arjunan, Satya Nanda Vel; Machiyama, Hiroaki; Nishino, Taiko; Suematsu, Makoto; Fujita, Hideaki; Tomita, Masaru; Takahashi, Koichi

2015-06-01

Oxidative stress mediated clustering of membrane protein band 3 plays an essential role in the clearance of damaged and aged red blood cells (RBCs) from the circulation. While a number of previous experimental studies have observed changes in band 3 distribution after oxidative treatment, the details of how these clusters are formed and how their properties change under different conditions have remained poorly understood. To address these issues, a framework that enables the simultaneous monitoring of the temporal and spatial changes following oxidation is needed. In this study, we established a novel simulation strategy that incorporates deterministic and stochastic reactions with particle reaction-diffusion processes, to model band 3 cluster formation at single molecule resolution. By integrating a kinetic model of RBC antioxidant metabolism with a model of band 3 diffusion, we developed a model that reproduces the time-dependent changes of glutathione and clustered band 3 levels, as well as band 3 distribution during oxidative treatment, observed in prior studies. We predicted that cluster formation is largely dependent on fast reverse reaction rates, strong affinity between clustering molecules, and irreversible hemichrome binding. We further predicted that under repeated oxidative perturbations, clusters tended to progressively grow and shift towards an irreversible state. Application of our model to simulate oxidation in RBCs with cytoskeletal deficiency also suggested that oxidation leads to more enhanced clustering compared to healthy RBCs. Taken together, our model enables the prediction of band 3 spatio-temporal profiles under various situations, thus providing valuable insights to potentially aid understanding mechanisms for removing senescent and premature RBCs.

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.

The Synthesis of NiO/TiO2 Heterostructures and Their Valence Band Offset Determination

Directory of Open Access Journals (Sweden)

Z. H. Ibupoto

2014-01-01

Full Text Available In this work, a heterojunction based on p-type NiO/n-type TiO2 nanostructures has been prepared on the fluorine doped tin oxide (FTO glass substrate by hydrothermal method. Scanning electron microscopy (SEM and X-Ray diffraction techniques were used for the morphological and crystalline arrays characterization. The X-ray photoelectron spectroscopy was employed to determine the valence-band offset (VBO of the NiO/TiO2 heterojunction prepared on FTO glass substrate. The core levels of Ni 2p and Ti 2p were utilized to align the valence-band offset of p-type NiO/n-type TiO2 heterojunction. The valence band offset was found to be ∼0.41 eV and the conduction band was calculated about ∼0.91 eV. The ratio of conduction band offset and the valence-band offset was found to be 2.21.

A narrow-band k-distribution model with single mixture gas assumption for radiative flows

Science.gov (United States)

Jo, Sung Min; Kim, Jae Won; Kwon, Oh Joon

2018-06-01

In the present study, the narrow-band k-distribution (NBK) model parameters for mixtures of H2O, CO2, and CO are proposed by utilizing the line-by-line (LBL) calculations with a single mixture gas assumption. For the application of the NBK model to radiative flows, a radiative transfer equation (RTE) solver based on a finite-volume method on unstructured meshes was developed. The NBK model and the RTE solver were verified by solving two benchmark problems including the spectral radiance distribution emitted from one-dimensional slabs and the radiative heat transfer in a truncated conical enclosure. It was shown that the results are accurate and physically reliable by comparing with available data. To examine the applicability of the methods to realistic multi-dimensional problems in non-isothermal and non-homogeneous conditions, radiation in an axisymmetric combustion chamber was analyzed, and then the infrared signature emitted from an aircraft exhaust plume was predicted. For modeling the plume flow involving radiative cooling, a flow-radiation coupled procedure was devised in a loosely coupled manner by adopting a Navier-Stokes flow solver based on unstructured meshes. It was shown that the predicted radiative cooling for the combustion chamber is physically more accurate than other predictions, and is as accurate as that by the LBL calculations. It was found that the infrared signature of aircraft exhaust plume can also be obtained accurately, equivalent to the LBL calculations, by using the present narrow-band approach with a much improved numerical efficiency.

Band head spin assignment of superdeformed bands in Hg isotopes through power index formula

Science.gov (United States)

Sharma, Honey; Mittal, H. M.

2018-05-01

The power index formula has been used to obtain the band head spin (I 0) of all the superdeformed (SD) bands in Hg isotopes. A least squares fitting approach is used. The root mean square deviations between the determined and the observed transition energies are calculated by extracting the model parameters using the power index formula. Whenever definite spins are available, the determined and the observed transition energies are in accordance with each other. The computed values of dynamic moment of inertia J (2) obtained by using the power index formula and its deviation with the rotational frequency is also studied. Excellent agreement is shown between the calculated and the experimental results for J (2) versus the rotational frequency. Hence, the power index formula works very well for all the SD bands in Hg isotopes expect for 195Hg(2, 3, 4).

Band gap engineering strategy via polarization rotation in perovskite ferroelectrics

International Nuclear Information System (INIS)

Wang, Fenggong; Grinberg, Ilya; Rappe, Andrew M.

2014-01-01

We propose a strategy to engineer the band gaps of perovskite oxide ferroelectrics, supported by first principles calculations. We find that the band gaps of perovskites can be substantially reduced by as much as 1.2 eV through local rhombohedral-to-tetragonal structural transition. Furthermore, the strong polarization of the rhombohedral perovskite is largely preserved by its tetragonal counterpart. The B-cation off-center displacements and the resulting enhancement of the antibonding character in the conduction band give rise to the wider band gaps of the rhombohedral perovskites. The correlation between the structure, polarization orientation, and electronic structure lays a good foundation for understanding the physics of more complex perovskite solid solutions and provides a route for the design of photovoltaic perovskite ferroelectrics

Quantum critical behavior in three-dimensional one-band Hubbard model at half-filling

International Nuclear Information System (INIS)

Karchev, Naoum

2013-01-01

A one-band Hubbard model with hopping parameter t and Coulomb repulsion U is considered at half-filling. By means of the Schwinger bosons and slave fermions representation of the electron operators and integrating out the spin–singlet Fermi fields an effective Heisenberg model with antiferromagnetic exchange constant is obtained for vectors which identifies the local orientation of the spin of the itinerant electrons. The amplitude of the spin vectors is an effective spin of the itinerant electrons accounting for the fact that some sites, in the ground state, are doubly occupied or empty. Accounting adequately for the magnon–magnon interaction the Néel temperature is calculated. When the ratio t/U is small enough (t/U ≤0.09) the effective model describes a system of localized electrons. Increasing the ratio increases the density of doubly occupied states which in turn decreases the effective spin and Néel temperature. The phase diagram in the plane of temperature (T N )/U and parameter t/U is presented. The quantum critical point (T N =0) is reached at t/U =0.9. The magnons in the paramagnetic phase are studied and the contribution of the magnons’ fluctuations to the heat capacity is calculated. At the Néel temperature the heat capacity has a peak which is suppressed when the system approaches a quantum critical point. It is important to stress that, at half-filling, the ground state, determined by fermions, is antiferromagnetic. The magnon fluctuations drive the system to quantum criticality and when the effective spin is critically small these fluctuations suppress the magnetic order. -- Highlights: •Technique of calculation is introduced which permits us to study the magnons’ fluctuations. •Quantum critical point is obtained in the one-band 3D Hubbard model at half-filling. •The present analytical results supplement the numerical ones (see Fig. 7)

Characterization and Conduction Mechanism of Highly Conductive Vanadate Glass

Directory of Open Access Journals (Sweden)

Tetsuaki Nishida

2015-12-01

Full Text Available This paper reviews recent studies of highly conductive barium iron vanadate glass with a composition of 20 BaO ∙ 10 Fe2O3 ∙ 70 V2O5 (in mol %. Isothermal annealing of the vanadate glass for several ten minutes at a given temperature, higher than glass transition temperature or crystallization temperature, caused an increase in σ. Substitution of CuI (3d10, ZnII (3d10 and CuII (3d9 for FeIII (3d5 was investigated to elucidate the effect of electron configuration on the conductivity (σ. A marked decrease in the activation energy of conduction (Ea was also observed after the annealing. Values of Ea were correlated to the energy gap between the donor level and the conduction band (CB in the n-type semiconductor model. Isothermal annealing of ZnII-substituted vanadate glass (20 BaO ∙ 5 ZnO ∙ 5 Fe2O3 ∙ 70 V2O5 at 450 °C for 30 min showed an increase in σ from 2.5 × 10–6 to 2.1 × 10–1 S cm–1, which was one order of magnitude larger than that of non-substituted vanadate glass (3.4 × 10–2 S cm–1. Under the same annealing condition, σ’s of 2.0 × 10–1 and 3.2 × 10–1 S cm–1 were observed for 20 BaO ∙ 5 Cu2O ∙ 5 Fe2O3 ∙ 70 V2O5 and 20 BaO ∙ 5 CuO ∙ 5 Fe2O3 ∙ 70 V2O5 glasses, respectively. These results demonstrate an increase in the carrier (electron density in the CB, primarily composed of anti-bonding 4s-orbitals.

SIMULTANEOUS MULTI-BAND DETECTION OF LOW SURFACE BRIGHTNESS GALAXIES WITH MARKOVIAN MODELING

International Nuclear Information System (INIS)

Vollmer, B.; Bonnarel, F.; Louys, M.; Perret, B.; Petremand, M.; Lavigne, F.; Collet, Ch.; Van Driel, W.; Sabatini, S.; MacArthur, L. A.

2013-01-01

We present to the astronomical community an algorithm for the detection of low surface brightness (LSB) galaxies in images, called MARSIAA (MARkovian Software for Image Analysis in Astronomy), which is based on multi-scale Markovian modeling. MARSIAA can be applied simultaneously to different bands. It segments an image into a user-defined number of classes, according to their surface brightness and surroundings—typically, one or two classes contain the LSB structures. We have developed an algorithm, called DetectLSB, which allows the efficient identification of LSB galaxies from among the candidate sources selected by MARSIAA. The application of the method to two and three bands simultaneously was tested on simulated images. Based on our tests, we are confident that we can detect LSB galaxies down to a central surface brightness level of only 1.5 times the standard deviation from the mean pixel value in the image background. To assess the robustness of our method, the method was applied to a set of 18 B- and I-band images (covering 1.3 deg 2 in total) of the Virgo Cluster to which Sabatini et al. previously applied a matched-filter dwarf LSB galaxy search algorithm. We have detected all 20 objects from the Sabatini et al. catalog which we could classify by eye as bona fide LSB galaxies. Our method has also detected four additional Virgo Cluster LSB galaxy candidates undetected by Sabatini et al. To further assess the completeness of the results of our method, both MARSIAA, SExtractor, and DetectLSB were applied to search for (1) mock Virgo LSB galaxies inserted into a set of deep Next Generation Virgo Survey (NGVS) gri-band subimages and (2) Virgo LSB galaxies identified by eye in a full set of NGVS square degree gri images. MARSIAA/DetectLSB recovered ∼20% more mock LSB galaxies and ∼40% more LSB galaxies identified by eye than SExtractor/DetectLSB. With a 90% fraction of false positives from an entirely unsupervised pipeline, a completeness of 90% is

Ultrawide low frequency band gap of phononic crystal in nacreous composite material

International Nuclear Information System (INIS)

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

2014-01-01

The band structure of a nacreous composite material is studied by two proposed models, where an ultrawide low frequency band gap is observed. The first model (tension-shear chain model) with two phases including brick and mortar is investigated to describe the wave propagation in the nacreous composite material, and the dispersion relation is calculated by transfer matrix method and Bloch theorem. The results show that the frequency ranges of the pass bands are quite narrow, because a special tension-shear chain motion in the nacreous composite material is formed by some very slow modes. Furthermore, the second model (two-dimensional finite element model) is presented to investigate its band gap by a multi-level substructure scheme. Our findings will be of great value to the design and synthesis of vibration isolation materials in a wide and low frequency range. Finally, the transmission characteristics are calculated to verify the results. - Highlights: • A Brick-and-Mortar structure is used to discuss wave propagation through nacreous materials. • A 1D Bloch wave solution of nacreous materials with a tension-shear chain model is obtained. • The band structure and transmission characteristics of nacreous materials with the FE model are examined. • An ultrawide low frequency band gap is found in nacreous materials with both theory and FE model

Exploring excitonic signal in optical conductivity of ZnO through first-order electron-hole vertex correction

Science.gov (United States)

Khoirunnisa, Humaira; Aziz Majidi, Muhammad

2018-04-01

The emergence of exitonic signal in the optical response of a wide band-gap semiconductor has been a common knowledge in physics. There have been numerous experimental studies exploring the important role of excitons on influencing both the transport and optical properties of the materials. Despite the existence of much information on excitonic effects, there has not been much literature that explores detailed theoretical explanation on how the exitonic signal appears and how it evolves with temperature. Here, we propose a theoretical study on the optical conductivity of ZnO, a well-known wide band-gap semiconductor that we choose as a case study. ZnO has been known to exhibit excitonic states in its optical spectra in the energy range of ∼3.13-3.41 eV, with a high exciton binding energy of ∼60 meV. An experimental study on ZnO in 2014 revealed such a signal in its optical conductivity spectrum. We present a theoretical investigation on the appearance of excitonic signal in optical conductivity of ZnO. We model the wurtzite ZnO within an 8-band k.p approximation. We calculate the optical conductivity by incorporating the first-order vertex correction derived from the Feynman diagrams. Our calculation up to the first-order correction spectrum qualitatively confirms the existence of excitons in wurtzite ZnO.

Multi-band, multi-epoch observations of the transiting warm Jupiter WASP-80b

Energy Technology Data Exchange (ETDEWEB)

Fukui, Akihiko; Kuroda, Daisuke [Okayama Astrophysical Observatory, National Astronomical Observatory of Japan, Asakuchi, Okayama 719-0232 (Japan); Kawashima, Yui; Ikoma, Masahiro; Kurosaki, Kenji [Department of Earth and Planetary Science, Graduate School of Science, The University of Tokyo, 7-3-1 Bunkyo-ku, Tokyo 113-0033 (Japan); Narita, Norio; Nishiyama, Shogo; Takahashi, Yasuhiro H.; Nagayama, Shogo [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Onitsuka, Masahiro; Baba, Haruka; Ryu, Tsuguru [The Graduate University for Advanced Studies, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Ita, Yoshifusa; Onozato, Hiroki [Astronomical Institute, Graduate School of Science, Tohoku University, 6-3 Aramaki Aoba, Aoba-ku, Sendai, Miyagi 980-8578 (Japan); Hirano, Teruyuki; Kawauchi, Kiyoe [Department of Earth and Planetary Sciences, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo 152-8551 (Japan); Hori, Yasunori [Department of Astronomy and Astrophysics, University of California, Santa Cruz, CA 95064 (United States); Nagayama, Takahiro [Department of Physics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8602 (Japan); Tamura, Motohide [Department of Astronomy, Graduate School of Science, The University of Tokyo, and National Astronomical Observatory of Japan (Japan); Kawai, Nobuyuki, E-mail: afukui@oao.nao.ac.jp [Department of Physics, Tokyo Institute of Technology, 2-12-1, Oookayama, Meguro, Tokyo 152-8551 (Japan); and others

2014-08-01

WASP-80b is a warm Jupiter transiting a bright late-K/early-M dwarf, providing a good opportunity to extend the atmospheric study of hot Jupiters toward the lower temperature regime. We report multi-band, multi-epoch transit observations of WASP-80b by using three ground-based telescopes covering from optical (g', R{sub c}, and I{sub c} bands) to near-infrared (NIR; J, H, and K{sub s} bands) wavelengths. We observe 5 primary transits, each in 3 or 4 different bands simultaneously, obtaining 17 independent transit light curves. Combining them with results from previous works, we find that the observed transmission spectrum is largely consistent with both a solar abundance and thick cloud atmospheric models at a 1.7σ discrepancy level. On the other hand, we find a marginal spectral rise in the optical region compared to the NIR region at the 2.9σ level, which possibly indicates the existence of haze in the atmosphere. We simulate theoretical transmission spectra for a solar abundance but hazy atmosphere, finding that a model with equilibrium temperature of 600 K can explain the observed data well, having a discrepancy level of 1.0σ. We also search for transit timing variations, but find no timing excess larger than 50 s from a linear ephemeris. In addition, we conduct 43 day long photometric monitoring of the host star in the optical bands, finding no significant variation in the stellar brightness. Combined with the fact that no spot-crossing event is observed in the five transits, our results confirm previous findings that the host star appears quiet for spot activities, despite the indications of strong chromospheric activities.

Photon path length distributions for cloudy skies – oxygen A-Band measurements and model calculations

Directory of Open Access Journals (Sweden)

O. Funk

2003-03-01

Full Text Available This paper addresses the statistics underlying cloudy sky radiative transfer (RT by inspection of the distribution of the path lengths of solar photons. Recent studies indicate that this approach is promising, since it might reveal characteristics about the diffusion process underlying atmospheric radiative transfer (Pfeilsticker, 1999. Moreover, it uses an observable that is directly related to the atmospheric absorption and, therefore, of climatic relevance. However, these studies are based largely on the accuracy of the measurement of the photon path length distribution (PPD. This paper presents a refined analysis method based on high resolution spectroscopy of the oxygen A-band. The method is validated by Monte Carlo simulation atmospheric spectra. Additionally, a new method to measure the effective optical thickness of cloud layers, based on fitting the measured differential transmissions with a 1-dimensional (discrete ordinate RT model, is presented. These methods are applied to measurements conducted during the cloud radar inter-comparison campaign CLARE’98, which supplied detailed cloud structure information, required for the further analysis. For some exemplary cases, measured path length distributions and optical thicknesses are presented and backed by detailed RT model calculations. For all cases, reasonable PPDs can be retrieved and the effects of the vertical cloud structure are found. The inferred cloud optical thicknesses are in agreement with liquid water path measurements. Key words. Meteorology and atmospheric dynamics (radiative processes; instruments and techniques

Photon path length distributions for cloudy skies – oxygen A-Band measurements and model calculations

Directory of Open Access Journals (Sweden)

O. Funk

Full Text Available This paper addresses the statistics underlying cloudy sky radiative transfer (RT by inspection of the distribution of the path lengths of solar photons. Recent studies indicate that this approach is promising, since it might reveal characteristics about the diffusion process underlying atmospheric radiative transfer (Pfeilsticker, 1999. Moreover, it uses an observable that is directly related to the atmospheric absorption and, therefore, of climatic relevance. However, these studies are based largely on the accuracy of the measurement of the photon path length distribution (PPD. This paper presents a refined analysis method based on high resolution spectroscopy of the oxygen A-band. The method is validated by Monte Carlo simulation atmospheric spectra. Additionally, a new method to measure the effective optical thickness of cloud layers, based on fitting the measured differential transmissions with a 1-dimensional (discrete ordinate RT model, is presented. These methods are applied to measurements conducted during the cloud radar inter-comparison campaign CLARE’98, which supplied detailed cloud structure information, required for the further analysis. For some exemplary cases, measured path length distributions and optical thicknesses are presented and backed by detailed RT model calculations. For all cases, reasonable PPDs can be retrieved and the effects of the vertical cloud structure are found. The inferred cloud optical thicknesses are in agreement with liquid water path measurements.

Key words. Meteorology and atmospheric dynamics (radiative processes; instruments and techniques

Radiation enhanced conduction in insulators: computer modelling

International Nuclear Information System (INIS)

Fisher, A.J.

1986-10-01

The report describes the implementation of the Klaffky-Rose-Goland-Dienes [Phys. Rev. B.21 3610,1980] model of radiation-enhanced conduction and describes the codes used. The approach is demonstrated for the data for alumina of Pells, Buckley, Hill and Murphy [AERE R.11715, 1985]. (author)

Model construction and superconductivity analysis of organic conductors β-(BDA-TTP)2MF6 (M = P, As, Sb and Ta) based on first-principles band calculation

Science.gov (United States)

Aizawa, H.; Kuroki, K.; Yasuzuka, S.; Yamada, J.

2012-11-01

We perform a first-principles band calculation for a group of quasi-two-dimensional organic conductors β-(BDA-TTP)2MF6 (M = P, As, Sb and Ta). The ab-initio calculation shows that the density of states is correlated with the bandwidth of the singly occupied (highest) molecular orbital, while it is not necessarily correlated with the unit-cell volume. The direction of the major axis of the cross section of the Fermi surface lies in the Γ-B-direction, which differs from that obtained by the extended Hückel calculation. Then, we construct a tight-binding model which accurately reproduces the ab-initio band structure. The obtained transfer energies give a smaller dimerization than in the extended Hückel band. As to the difference in the anisotropy of the Fermi surface, the transfer energies along the inter-stacking direction are smaller than those obtained in the extended Hückel calculation. Assuming spin-fluctuation-mediated superconductivity, we apply random phase approximation to a two-band Hubbard model. This two-band Hubbard model is composed of the tight-binding model derived from the first-principles band structure and an on-site (intra-molecule) repulsive interaction taken as a variable parameter. The obtained superconducting gap changes sign four times along the Fermi surface like in a d-wave gap, and the nodal direction is different from that obtained in the extended Hückel model. Anion dependence of Tc is qualitatively consistent with the experimental observation.

Model construction and superconductivity analysis of organic conductors β-(BDA-TTP)2MF6 (M = P, As, Sb and Ta) based on first-principles band calculation

International Nuclear Information System (INIS)

Aizawa, H; Kuroki, K; Yasuzuka, S; Yamada, J

2012-01-01

We perform a first-principles band calculation for a group of quasi-two-dimensional organic conductors β-(BDA-TTP) 2 MF 6 (M = P, As, Sb and Ta). The ab-initio calculation shows that the density of states is correlated with the bandwidth of the singly occupied (highest) molecular orbital, while it is not necessarily correlated with the unit-cell volume. The direction of the major axis of the cross section of the Fermi surface lies in the Γ–B-direction, which differs from that obtained by the extended Hückel calculation. Then, we construct a tight-binding model which accurately reproduces the ab-initio band structure. The obtained transfer energies give a smaller dimerization than in the extended Hückel band. As to the difference in the anisotropy of the Fermi surface, the transfer energies along the inter-stacking direction are smaller than those obtained in the extended Hückel calculation. Assuming spin-fluctuation-mediated superconductivity, we apply random phase approximation to a two-band Hubbard model. This two-band Hubbard model is composed of the tight-binding model derived from the first-principles band structure and an on-site (intra-molecule) repulsive interaction taken as a variable parameter. The obtained superconducting gap changes sign four times along the Fermi surface like in a d-wave gap, and the nodal direction is different from that obtained in the extended Hückel model. Anion dependence of T c is qualitatively consistent with the experimental observation. (paper)

Constitutive Modelling and Deformation Band Angle Predictions for High Porosity Sandstones

Science.gov (United States)

Richards, M. C.; Issen, K. A.; Ingraham, M. D.

2017-12-01

The development of a field-scale deformation model requires a constitutive framework that is capable of representing known material behavior and able to be calibrated using available mechanical response data. This work employs the principle of hyperplasticity (e.g., Houlsby and Puzrin, 2006) to develop such a constitutive framework for high porosity sandstone. Adapting the works of Zimmerman et al. (1986) and Collins and Houlsby (1997), the mechanical data set of Ingraham et al. (2013 a, b) was used to develop a specific constitutive framework for Castlegate sandstone, a high porosity fluvial-deposited reservoir analog rock. Using the mechanical data set of Ingraham et al. (2013 a, b), explicit expressions and material parameters of the elastic moduli and strain tensors were obtained. With these expressions, analytical and numerical techniques were then employed to partition the total mechanical strain into elastic, coupled, and plastic strain components. With the partitioned strain data, yield surfaces in true-stress space, coefficients of internal friction, dilatancy factors, along with the theorectical predictions of the deformation band angles were obtained. These results were also evaluated against band angle values obtained from a) measurements on specimen jackets (Ingraham et al., 2013a), b) plane fits through located acoustic emissions (AE) events (Ingraham et al. 2013b), and c) X-ray micro-computed tomography (micro-CT) calculations.

Touching points in the energy band structure of bilayer graphene superlattices

International Nuclear Information System (INIS)

Pham, C Huy; Nguyen, V Lien

2014-01-01

The energy band structure of the bilayer graphene superlattices with zero-averaged periodic δ-function potentials are studied within the four-band continuum model. Using the transfer matrix method, the study is mainly focused on examining the touching points between adjacent minibands. For the zero-energy touching points the dispersion relation derived shows a Dirac-like double-cone shape with the group velocity which is periodic in the potential strength P with the period of π and becomes anisotropic at relatively large P. From the finite-energy touching points we have identified those located at zero wave-number. It was shown that for these finite-energy touching points the dispersion is direction-dependent in the sense that it is linear or parabolic in the direction parallel or perpendicular to the superlattice direction, respectively. We have also calculated the density of states and the conductivity which demonstrates a manifestation of the touching points examined. (paper)

Design and analysis of lumped resistor loaded metamaterial absorber with transmission band.

Science.gov (United States)

Chen, Xi; Li, Youquan; Fu, Yunqi; Yuan, Naichang

2012-12-17

A new type of multi-layer metamaterial (MM) absorber is represented in this paper, which behave as a dielectric slab in transmission band and act as an absorber in another lower band. The equivalent circuit model of each layer in this MM absorber has been established. The transmission line (TL) model is introduced to analysis the mechanism of electromagnetic wave traveling through this MM absorber. Both theoretical and experimental results indicate this MM absorber has a transmission band at 21GHz and an absorptive band from 5GHz to 13GHz. A good match of TL model results and measurement results verified the validity of TL model in analyzing and optimizing the performances of this kind of absorber.

Multi-band Image Registration Method Based on Fourier Transform

Institute of Scientific and Technical Information of China (English)

庹红娅; 刘允才

2004-01-01

This paper presented a registration method based on Fourier transform for multi-band images which is involved in translation and small rotation. Although different band images differ a lot in the intensity and features,they contain certain common information which we can exploit. A model was given that the multi-band images have linear correlations under the least-square sense. It is proved that the coefficients have no effect on the registration progress if two images have linear correlations. Finally, the steps of the registration method were proposed. The experiments show that the model is reasonable and the results are satisfying.

Band alignment of two-dimensional metal monochalcogenides MXs (M=Ga,In; X=S,Se,Te

Directory of Open Access Journals (Sweden)

Huazheng Sun

2017-09-01

Full Text Available Monolayer metal monochalcogenides MXs (M=Ga,In; X=S,Se,Te form a new class of two-dimensional semiconductors with indirect band gaps, and their band alignment information is investigated via first principles calculations. The dependence of band gap, valence-band maximum, conduction band minimum, and charge transfer on the M or X element has been obtained and can be understood from the orbital analysis of the band edges. Potential applications of metal monochalcogenides to design van der Waals heterostructures and catalyse the photo-splitting reaction of water have been discussed.

Hierarchical relaxation dynamics in a tilted two-band Bose-Hubbard model

Science.gov (United States)

Cosme, Jayson G.

2018-04-01

We numerically examine slow and hierarchical relaxation dynamics of interacting bosons described by a tilted two-band Bose-Hubbard model. The system is found to exhibit signatures of quantum chaos within the spectrum and the validity of the eigenstate thermalization hypothesis for relevant physical observables is demonstrated for certain parameter regimes. Using the truncated Wigner representation in the semiclassical limit of the system, dynamics of relevant observables reveal hierarchical relaxation and the appearance of prethermalized states is studied from the perspective of statistics of the underlying mean-field trajectories. The observed prethermalization scenario can be attributed to different stages of glassy dynamics in the mode-time configuration space due to dynamical phase transition between ergodic and nonergodic trajectories.

Identical high- K three-quasiparticle rotational bands

Energy Technology Data Exchange (ETDEWEB)

Kaur, Harjeet; Singh, Pardeep [Guru Nanak Dev University, Department of Physics, Amritsar (India)

2016-12-15

A comprehensive study of high-K three-quasiparticle rotational bands in odd-A nuclei indicates the similarity in γ-ray energies and dynamic moment of inertia I{sup (2)}. The extent of the identicality between the rotational bands is evaluated by using the energy factor method. For nuclei pairs exhibiting identical bands, the average relative change in the dynamic moment of inertia I{sup (2)} is also determined. The identical behaviour shown by these bands is attributed to the interplay of nuclear structure parameters: deformation and the pairing correlations. Also, experimental trend of the I(ℎ) vs. ℎω (MeV) plot for these nuclei pairs is shown to be in agreement with Tilted-Axis Cranking (TAC) model calculations. (orig.)

Determination of shift in energy of band edges and band gap of ZnSe spherical quantum dot

Science.gov (United States)

Siboh, Dutem; Kalita, Pradip Kumar; Sarma, Jayanta Kumar; Nath, Nayan Mani

2018-04-01

We have determined the quantum confinement induced shifts in energy of band edges and band gap with respect to size of ZnSe spherical quantum dot employing an effective confinement potential model developed in our earlier communication "arXiv:1705.10343". We have also performed phenomenological analysis of our theoretical results in comparison with available experimental data and observe a very good agreement in this regard. Phenomenological success achieved in this regard confirms validity of the confining potential model as well as signifies the capability and applicability of the ansatz for the effective confining potential to have reasonable information in the study of real nano-structured spherical systems.

Two- and four-quasiparticle states in the interacting boson model: Strong-coupling and decoupled band patterns in the SU(3) limit

International Nuclear Information System (INIS)

Vretenar, D.; Paar, V.; Bonsignori, G.; Savoia, M.

1990-01-01

An extension of the interacting boson approximation model is proposed by allowing for two- and four-quasiparticle excitations out of the boson space. The formation of band patterns based on two- and four-quasiparticle states is investigated in the SU(3) limit of the model. For hole-type (particle-type) fermions coupled to the SU(3) prolate (oblate) core, it is shown that the algebraic K-representation basis, which is the analog of the strong-coupling basis of the geometrical model, provides an appropriate description of the low-lying two-quasiparticle bands. In the case of particle-type (hole-type) fermions coupled to the SU(3) prolate (oblate) core, a new algebraic decoupling basis is derived that is equivalent in the geometrical limit to Stephens' rotation-aligned basis. Comparing the wave functions that are obtained by diagonalization of the model Hamiltonian to the decoupling basis, several low-lying two-quasiparticle bands are identified. The effects of an interaction that conserves only the total nucleon number, mixing states with different number of fermions, are investigated in both the strong-coupling and decoupling limits. All calculations are performed for an SU(3) boson core and the h11/2 fermion orbital

Effect of Substitutional Pb Doping on Bipolar and Lattice Thermal Conductivity in p-Type Bi0.48Sb1.52Te₃.

Science.gov (United States)

Kim, Hyun-Sik; Lee, Kyu Hyoung; Yoo, Joonyeon; Youn, Jehun; Roh, Jong Wook; Kim, Sang-Il; Kim, Sung Wng

2017-07-06

Cation substitutional doping is an effective approach to modifying the electronic and thermal transports in Bi₂Te₃-based thermoelectric alloys. Here we present a comprehensive analysis of the electrical and thermal conductivities of polycrystalline Pb-doped p-type bulk Bi 0.48 Sb 1.52 Te₃. Pb doping significantly increased the electrical conductivity up to ~2700 S/cm at x = 0.02 in Bi 0.48-x Pb x Sb 1.52 Te₃ due to the increase in hole carrier concentration. Even though the total thermal conductivity increased as Pb was added, due to the increased hole carrier concentration, the thermal conductivity was reduced by 14-22% if the contribution of the increased hole carrier concentration was excluded. To further understand the origin of reduction in the thermal conductivity, we first estimated the contribution of bipolar conduction to thermal conductivity from a two-parabolic band model, which is an extension of the single parabolic band model. Thereafter, the contribution of additional point defect scattering caused by Pb substitution (Pb in the cation site) was analyzed using the Debye-Callaway model. We found that Pb doping significantly suppressed both the bipolar thermal conduction and lattice thermal conductivity simultaneously, while the bipolar contribution to the total thermal conductivity reduction increased at high temperatures. At Pb doping of x = 0.02, the bipolar thermal conductivity decreased by ~30% from 0.47 W/mK to 0.33 W/mK at 480 K, which accounts for 70% of the total reduction.

Ka Band Phase Locked Loop Oscillator Dielectric Resonator Oscillator for Satellite EHF Band Receiver

Directory of Open Access Journals (Sweden)

S. Coco

2008-01-01

Full Text Available This paper describes the design and fabrication of a Ka Band PLL DRO having a fundamental oscillation frequency of 19.250 GHz, used as local oscillator in the low-noise block of a down converter (LNB for an EHF band receiver. Apposite circuital models have been created to describe the behaviour of the dielectric resonator and of the active component used in the oscillator core. The DRO characterization and measurements have shown very good agreement with simulation results. A good phase noise performance is obtained by using a very high Q dielectric resonator.

Uncertainty quantification of GEOS-5 L-band radiative transfer model parameters using Bayesian inference and SMOS observations

NARCIS (Netherlands)

De Lannoy, G.J.M.; Reichle, R.H.; Vrugt, J.A.

2014-01-01

Uncertainties in L-band (1.4 GHz) microwave radiative transfer modeling (RTM) affect the simulation of brightness temperatures (Tb) over land and the inversion of satellite-observed Tb into soil moisture retrievals. In particular, accurate estimates of the microwave soil roughness, vegetation

The broad-band overlap problem in atmospheric trace gases

International Nuclear Information System (INIS)

Subasilar, B.

1991-01-01

In relation to a better understanding of climate change and the related greenhouse problem, one way of projecting for the next decades is through general circulation models (GCMs). The only input as a driving force in the changing atmospheric and oceanic circulation patterns is the amount of heat perturbation either due to natural or man-caused activities. Among these, CO 2 concentrations resulting from the latter has been observed to be accelerating at alarmingly high rates especially after the advent of the industrialization which just began in the last century. In addition to that, collective effects of other greenhouse gases (freons, SO 2 , H 2 O, CH 4 , etc.) are as important as CO 2 . Hence, it is evident from the above considerations that, in the predictions of climate models, the heat input which triggers changes in the atmospheric patterns, should be formulated accurately. In order to realize this objective, in this research, beginning with the available line parameter data, the problems of absorption have been investigated and attacked in the frame known as the broad band modeling since that is the only best and fastest manageable representation for GCMs. The first step was the construction of a full broad band (intra band overlap) model that was also flexible enough to accommodate the individual peculiarities of the bands. Before, the well known and very useful Ramanathan model had a limited applicability in the concentration scale, and it was also not systematically or successfully incorporated into an inter band overlap picture. Then, the established ideas that served as bases up to present, have been employed but found to have a limited practical applicability when it came to predict the inter band overlaps