Stacking orders induced direct band gap in bilayer MoSe2-WSe2 lateral heterostructures.

PubMed

Hu, Xiaohui; Kou, Liangzhi; Sun, Litao

2016-08-16

The direct band gap of monolayer semiconducting transition-metal dichalcogenides (STMDs) enables a host of new optical and electrical properties. However, bilayer STMDs are indirect band gap semiconductors, which limits its applicability for high-efficiency optoelectronic devices. Here, we report that the direct band gap can be achieved in bilayer MoSe2-WSe2 lateral heterostructures by alternating stacking orders. Specifically, when Se atoms from opposite layers are stacked directly on top of each other, AA and A'B stacked heterostructures show weaker interlayer coupling, larger interlayer distance and direct band gap. Whereas, when Se atoms from opposite layers are staggered, AA', AB and AB' stacked heterostructures exhibit stronger interlayer coupling, shorter interlayer distance and indirect band gap. Thus, the direct/indirect band gap can be controllable in bilayer MoSe2-WSe2 lateral heterostructures. In addition, the calculated sliding barriers indicate that the stacking orders of bilayer MoSe2-WSe2 lateral heterostructures can be easily formed by sliding one layer with respect to the other. The novel direct band gap in bilayer MoSe2-WSe2 lateral heterostructures provides possible application for high-efficiency optoelectronic devices. The results also show that the stacking order is an effective strategy to induce and tune the band gap of layered STMDs.

Temperature-Induced Topological Phase Transition in HgTe Quantum Wells

NASA Astrophysics Data System (ADS)

Kadykov, A. M.; Krishtopenko, S. S.; Jouault, B.; Desrat, W.; Knap, W.; Ruffenach, S.; Consejo, C.; Torres, J.; Morozov, S. V.; Mikhailov, N. N.; Dvoretskii, S. A.; Teppe, F.

2018-02-01

We report a direct observation of temperature-induced topological phase transition between the trivial and topological insulator states in an HgTe quantum well. By using a gated Hall bar device, we measure and represent Landau levels in fan charts at different temperatures, and we follow the temperature evolution of a peculiar pair of "zero-mode" Landau levels, which split from the edge of electronlike and holelike subbands. Their crossing at a critical magnetic field Bc is a characteristic of inverted band structure in the quantum well. By measuring the temperature dependence of Bc, we directly extract the critical temperature Tc at which the bulk band gap vanishes and the topological phase transition occurs. Above this critical temperature, the opening of a trivial gap is clearly observed.

Anisotropic strain induced directional metallicity in highly epitaxial LaBaCo 2O 5.5+δ thin films on (110) NdGaO 3

DOE PAGES

Ma, Chunrui; Han, Dong; Liu, Ming; ...

2016-11-21

Highly directional-dependent metal-insulator transition is observed in epitaxial double perovskite LaBaCo 2O 5.5+δ films. The film exhibit metallic along [100], but remain semiconducting along [010] under application of a magnetic field parallel to the surface of the film. The physical origin for the properties is identified as in-plane tensile strain arising from oxygen vacancies. First-principle calculations suggested the tensile strain drastically alters the band gap, and the vanishing gap opens up [100] conduction channels for Fermi-surface electrons. Lastly, our observation of strain-induced highly directional-dependent metal-insulator transition may open up new dimension for multifunctional devices.

Quasi-2D silicon structures based on ultrathin Me2Si (Me = Mg, Ca, Sr, Ba) films

NASA Astrophysics Data System (ADS)

Migas, D. B.; Bogorodz, V. O.; Filonov, A. B.; Borisenko, V. E.; Skorodumova, N. V.

2018-04-01

By means of ab initio calculations with hybrid functionals we show a possibility for quasi-2D silicon structures originated from semiconducting Mg2Si, Ca2Si, Sr2Si and Ba2Si silicides to exist. Such a 2D structure is similar to the one of transition metal chalcogenides where silicon atoms form a layer in between of metal atoms aligned in surface layers. These metal surface atoms act as pseudo passivation species stabilizing crystal structure and providing semiconducting properties. Considered 2D Mg2Si, Ca2Si, Sr2Si and Ba2Si have band gaps of 1.14 eV, 0.69 eV, 0.33 eV and 0.19 eV, respectively, while the former one is also characterized by a direct transition with appreciable oscillator strength. Electronic states of the surface atoms are found to suppress an influence of the quantum confinement on the band gaps. Additionally, we report Sr2Si bulk in the cubic structure to have a direct band gap of 0.85 eV as well as sizable oscillator strength of the first direct transition.

Towards Bridging the Gaps in Holistic Transition Prediction via Numerical Simulations

NASA Technical Reports Server (NTRS)

Choudhari, Meelan M.; Li, Fei; Duan, Lian; Chang, Chau-Lyan; Carpenter, Mark H.; Streett, Craig L.; Malik, Mujeeb R.

2013-01-01

The economic and environmental benefits of laminar flow technology via reduced fuel burn of subsonic and supersonic aircraft cannot be realized without minimizing the uncertainty in drag prediction in general and transition prediction in particular. Transition research under NASA's Aeronautical Sciences Project seeks to develop a validated set of variable fidelity prediction tools with known strengths and limitations, so as to enable "sufficiently" accurate transition prediction and practical transition control for future vehicle concepts. This paper provides a summary of selected research activities targeting the current gaps in high-fidelity transition prediction, specifically those related to the receptivity and laminar breakdown phases of crossflow induced transition in a subsonic swept-wing boundary layer. The results of direct numerical simulations are used to obtain an enhanced understanding of the laminar breakdown region as well as to validate reduced order prediction methods.

Strain tuning of electronic properties of various dimension elemental tellurium with broken screw symmetry

NASA Astrophysics Data System (ADS)

Xue, Xiong-Xiong; Feng, Ye-Xin; Liao, Lei; Chen, Qin-Jun; Wang, Dan; Tang, Li-Ming; Chen, Keqiu

2018-03-01

We present a systematical study of atomic structures and electronic properties of various dimension tellurium (Te) with broken intrinsical screw symmetry by applying reasonable strain. It is demonstrated that (i) bulk trigonal Te has degenerate Weyl nodes around the H point near the Fermi energy, and this degeneracy will be broken by introducing the selenium (Se) atom through creating the inner unsymmetrical strain, instead of external shear strain. (ii) 2D structures of tetragonal Te (t-Te) and 1T-MoS2-like Te (1T-Te) show direct and indirect band gap, respectively. Under the uniform biaxial compressive (BC) strain, monolayer of t-Te shows the direct-to-indirect band gap transition, while 1T-Te monolayer has a band gap transition firstly from indirect to direct and then from direct to indirect. Their effective masses of hole and electron can be effectively tuned by BC strain. (iii) One-dimensional (1D) structures of single helix, triangular Te and hexagonal Te nanowires display the obvious quantum confinement effect on the band structure and different sensitivity to the effect of uniaxial compressive strain.

High-temperature electron-hole superfluidity with strong anisotropic gaps in double phosphorene monolayers

NASA Astrophysics Data System (ADS)

Saberi-Pouya, S.; Zarenia, M.; Perali, A.; Vazifehshenas, T.; Peeters, F. M.

2018-05-01

Excitonic superfluidity in double phosphorene monolayers is investigated using the BCS mean-field equations. Highly anisotropic superfluidity is predicted where we found that the maximum superfluid gap is in the Bose-Einstein condensate (BEC) regime along the armchair direction and in the BCS-BEC crossover regime along the zigzag direction. We estimate the highest Kosterlitz-Thouless transition temperature with maximum value up to ˜90 K with onset carrier densities as high as 4 ×1012cm-2 . This transition temperature is significantly larger than what is found in double electron-hole few-layers graphene. Our results can guide experimental research toward the realization of anisotropic condensate states in electron-hole phosphorene monolayers.

Quantum-size-induced phase transitions in quantum dots: Indirect-band gap GaAs nanostructures

NASA Astrophysics Data System (ADS)

Zunger, Alex; Luo, Jun-Wei; Franceschetti, Alberto

2008-03-01

Quantum nanostructures are often advertised as having stronger absorption than the bulk material from which they are made, to the potential benefit of nanotechnology. However, nanostructures made of direct gap materials such as GaAs can convert to indirect-gap, weakly-aborbing systems when the quantum size becomes small. This is the case for spherical GaAs dots of radius 15 å or less (about 1000 atoms) embedded in a wide-gap matrix. The nature of the transition: γ-to-X or γ-to-L is however, controversial. The distinction can not be made on the basis of electronic structure techniques that misrepresent the magnitude of the various competing effective mass tensors (e.g, LDA or GGA) or wavefunction coupling (e.g, tight-binding). Using a carefully fit screened pseudopotential method we show that the transition occurs from γ to X, and, more importantly, that the transition involves a finite V (γ-X) interband coupling, manifested as an ``anti-crossing'' between the confined electron states of GaAs as the dot size crosses 15 å. The physics of this reciprocal-space γ-X transition, as well as the real-space (type II) transition in GaAs/AlGaAs will be briefly discussed.

I Wish I Had (Not) Taken a Gap-Year? The Psychological and Attainment Outcomes of Different Post-School Pathways

ERIC Educational Resources Information Center

Parker, Philip D.; Thoemmes, Felix; Duineveld, Jasper J.; Salmela-Aro, Katariina

2015-01-01

Existing gap-year research indicates a number of benefits of a gap-year at the end of school and before university enrollment. Life span theory of control, however, suggests that direct goal investment, rather than delay, at developmental transitions is associated with more adaptive outcomes. Comparing these perspectives, the authors undertook 2…

Indirect and Direct Signatures of Young Planets in Protoplanetary Disks

NASA Astrophysics Data System (ADS)

Zhu, Zhaohuan; Stone, James M.; Dong, Ruobing; Rafikov, Roman; Bai, Xue-Ning

2015-12-01

Directly finding young planets around protostars is challenging since protostars are highly variable and obscured by dust. However, young planets will interact with protoplanetary disks, inducing disk features such as gaps, spiral arms, and asymmetric features, which are much easier to be detected. Transitional disks, which are protoplanetary disks with gaps and holes, are excellent candidates for finding young planets. Although these disks have been studied extensively in observations (e.g. using Subaru, VLT, ALMA, EVLA), theoretical models still need to be developed to explain observations. We have constructed numerical simulations, including dust particle dynamics and MHD effects, to study planet-disk interaction, with an emphasis on explaining observations. Our simulations have successfully reproduced spiral arms, gaps and asymmetric features observed in transitional disks. Furthermore, by comparing with observations, we have constrained protoplanetary disk properties and pinpoint potential planets in these disks. We will present progress in constructing global simulations to study transitional disks, including using our recently developed Athena++ code with static-mesh-refinement for MHD. Finally we suggest that accreting circumplanetary disks can release an observable amount of energy and could be the key to detect young planets directly. We will discuss how JWST and next generation telescopes can help to find these young planets with circumplanetary disks.

First-principles study of direct and indirect optical absorption in BaSnO3

NASA Astrophysics Data System (ADS)

Kang, Youngho; Peelaers, Hartwin; Krishnaswamy, Karthik; Van de Walle, Chris G.

2018-02-01

We report first-principles results for the electronic structure and the optical absorption of perovskite BaSnO3 (BSO). BSO has an indirect fundamental gap, and hence, both direct and indirect transitions need to be examined. We assess direct absorption by calculations of the dipole matrix elements. The phonon-assisted indirect absorption spectrum at room temperature is calculated using a quasiclassical approach. Our analysis provides important insights into the optical properties of BSO and addresses several inconsistencies in the results of optical absorption experiments. We shed light on the variety of bandgap values that have been previously reported, concluding that the indirect gap is 2.98 eV and the direct gap is 3.46 eV.

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

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

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

2015-08-15

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

Dipole-allowed direct band gap silicon superlattices

PubMed Central

Oh, Young Jun; Lee, In-Ho; Kim, Sunghyun; Lee, Jooyoung; Chang, Kee Joo

2015-01-01

Silicon is the most popular material used in electronic devices. However, its poor optical properties owing to its indirect band gap nature limit its usage in optoelectronic devices. Here we present the discovery of super-stable pure-silicon superlattice structures that can serve as promising materials for solar cell applications and can lead to the realization of pure Si-based optoelectronic devices. The structures are almost identical to that of bulk Si except that defective layers are intercalated in the diamond lattice. The superlattices exhibit dipole-allowed direct band gaps as well as indirect band gaps, providing ideal conditions for the investigation of a direct-to-indirect band gap transition. The fact that almost all structural portions of the superlattices originate from bulk Si warrants their stability and good lattice matching with bulk Si. Through first-principles molecular dynamics simulations, we confirmed their thermal stability and propose a possible method to synthesize the defective layer through wafer bonding. PMID:26656482

Pressure dependence of band-gap and phase transitions in bulk CuX (X = Cl, Br, I)

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

Azhikodan, Dilna; Nautiyal, Tashi; Sharma, S.

2016-05-06

Usually a phase transition, in theoretical studies, is explored or verified by studying the total energy as a function of the volume considering various plausible phases. The intersection point, if any, of the free energy vs. volume curves for the different phases is then the indicator of the phase transition(s). The question is, can the theoretical study of a single phase alone indicate a phase transition? i.e. can we look beyond the phase under consideration through such a study? Using density-functional theory, we report a novel approach to suggest phase transition(s) through theoretical study of a single phase. Copper halidesmore » have been engaged for this study. These are direct band-gap semiconductors, with zinc blende structure at ambient conditions, and are reported to exhibit many phase transitions. We show that the study of volume dependence of energy band-gap in a single phase facilitates looking beyond the phase under consideration. This, when translated to pressures, reflects the phase transition pressures for CuX (X = Cl, Br, I) with an encouraging accuracy. This work thus offers a simple, yet reliable, approach based on electronic structure calculations to investigate new semiconducting materials for phase changes under pressure.« less

Nonresonant Faraday rotation in glassy semiconductors

NASA Astrophysics Data System (ADS)

van den Keybus, P.; Grevendonk, W.

1986-06-01

Nonresonant interband Faraday rotation in amorphous semiconductors, as a function of photon energy, may be described by an equation derived for direct transitions in crystalline semiconductors. In this paper it is shown how this equation may be obtained for the former case also, assuming a parabolic density of states function N(E) and a correlation between valence- and conduction-band states. The analysis of experiments on chalcogenide glasses reveals a Faraday-rotation energy gap EFRg that is significantly larger than the optical gap Eoptg. The effect is attributed to transitions between extended states, so that it is meaningful to compare EFRg with the mobility gap Eμg. For oxide glasses both gaps are comparable but for chalcogenide glasses EFRg is too large by a few tenths of 1 eV.

One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization

NASA Astrophysics Data System (ADS)

Zacharias, Marios; Giustino, Feliciano

2016-08-01

Recently, Zacharias et al. [Phys. Rev. Lett. 115, 177401 (2015), 10.1103/PhysRevLett.115.177401] developed an ab initio theory of temperature-dependent optical absorption spectra and band gaps in semiconductors and insulators. In that work, the zero-point renormalization and the temperature dependence were obtained by sampling the nuclear wave functions using a stochastic approach. In the present work, we show that the stochastic sampling of Zacharias et al. can be replaced by fully deterministic supercell calculations based on a single optimal configuration of the atomic positions. We demonstrate that a single calculation is able to capture the temperature-dependent band-gap renormalization including quantum nuclear effects in direct-gap and indirect-gap semiconductors, as well as phonon-assisted optical absorption in indirect-gap semiconductors. In order to demonstrate this methodology, we calculate from first principles the temperature-dependent optical absorption spectra and the renormalization of direct and indirect band gaps in silicon, diamond, and gallium arsenide, and we obtain good agreement with experiment and with previous calculations. In this work we also establish the formal connection between the Williams-Lax theory of optical transitions and the related theories of indirect absorption by Hall, Bardeen, and Blatt, and of temperature-dependent band structures by Allen and Heine. The present methodology enables systematic ab initio calculations of optical absorption spectra at finite temperature, including both direct and indirect transitions. This feature will be useful for high-throughput calculations of optical properties at finite temperature and for calculating temperature-dependent optical properties using high-level theories such as G W and Bethe-Salpeter approaches.

Cross-sectional aspect ratio modulated electronic properties in Si/Ge core/shell nanowires

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

Liu, Nuo; Lu, Ning; Yao, Yong-Xin

2013-02-28

Electronic structures of (4, n) and (m, 4) (the NW has m layers parallel to the {1 1 1} facet and n layers parallel to {1 1 0}) Si/Ge core/shell nanowires (NWs) along the [1 1 2] direction with cross-sectional aspect ratio (m/n) from 0.36 to 2.25 are studied by first-principles calculations. An indirect to direct band gap transition is observed as m/n decreases, and the critical values of m/n and diameter for the transition are also estimated. The size of the band gap also depends on the aspect ratio. These results suggest that m/n plays an important role inmore » modulating the electronic properties of the NWs.« less

Evolution of electronic structure as a function of layer thickness in group-VIB transition metal dichalcogenides: emergence of localization prototypes.

PubMed

Zhang, Lijun; Zunger, Alex

2015-02-11

Layered group-VIB transition metal dichalcogenides (with the formula of MX2) are known to show a transition from an indirect band gap in the thick n-monolayer stack (MX2)n to a direct band gap at the n = 1 monolayer limit, thus converting the system into an optically active material suitable for a variety of optoelectronic applications. The origin of this transition has been attributed predominantly to quantum confinement effect at reduced n. Our analysis of the evolution of band-edge energies and wave functions as a function of n using ab initio density functional calculations including the long-range dispersion interaction reveals (i) the indirect-to-direct band gap transformation is triggered not only by (kinetic-energy controlled) quantum confinement but also by (potential-energy controlled) band repulsion and localization. On its own, neither of the two effects can explain by itself the energy evolution of the band-edge states relevant to the transformation; (ii) when n decreased, there emerge distinct regimes with characteristic localization prototypes of band-edge states deciding the optical response of the system. They are distinguished by the real-space direct/indirect in combination with momentum-space direct/indirect nature of electron and hole states and give rise to distinct types of charge distribution of the photoexcited carriers that control excitonic behaviors; (iii) the various regimes associated with different localization prototypes are predicted to change with modification of cations and anions in the complete MX2 (M = Cr, Mo, W and X = S, Se, Te) series. These results offer new insight into understanding the excitonic properties (e.g., binding energy, lifetime etc.) of multiple layered MX2 and their heterostructures.

Winding numbers of nodal points in Fe-based superconductors

NASA Astrophysics Data System (ADS)

Chichinadze, Dmitry V.; Chubukov, Andrey V.

2018-03-01

We analyze the nodal points in multiorbital Fe-based superconductors from a topological perspective. We consider the s+- gap structure with accidental nodes, and the d -wave gap with nodes along the symmetry directions. In both cases, the nodal points can be moved by varying an external parameter, e.g., a degree of interpocket pairing. Eventually, the nodes merge and annihilate via a Lifshitz-type transition. We discuss the Lifshitz transition in Fe-based superconductors from a topological point of view. We show, both analytically and numerically, that the merging nodal points have winding numbers of opposite sign. This is consistent with the general reasoning that the total winding number is a conserved quantity in the Lifshitz transition.

Strain-induced Weyl and Dirac states and direct-indirect gap transitions in group-V materials

NASA Astrophysics Data System (ADS)

Moynihan, Glenn; Sanvito, Stefano; O'Regan, David D.

2017-12-01

We perform comprehensive density-functional theory calculations on strained two-dimensional phosphorus (P), arsenic (As) and antimony (Sb) in the monolayer, bilayer, and bulk α-phase, from which we compute the key mechanical and electronic properties of these materials. Specifically, we compute their electronic band structures, band gaps, and charge-carrier effective masses, and identify the qualitative electronic and structural transitions that may occur. Moreover, we compute the elastic properties such as the Young’s modulus Y; shear modulus G; bulk modulus B ; and Poisson ratio ν and present their isotropic averages of as well as their dependence on the in-plane orientation, for which the relevant expressions are derived. We predict strain-induced Dirac states in the monolayers of As and Sb and the bilayers of P, As, and Sb, as well as the possible existence of Weyl states in the bulk phases of P and As. These phases are predicted to support charge velocities up to 106 m {{\\text{s}}-1} and, in some highly anisotropic cases, permit one-dimensional ballistic conductivity in the puckered direction. We also predict numerous band gap transitions for moderate in-plane stresses. Our results contribute to the mounting evidence for the utility of these materials, made possible by their broad range in tuneable properties, and facilitate the directed exploration of their potential application in next-generation electronics.

Impulses towards a Multifunctional Transition in Rural Australia: Gaps in the Research Agenda

ERIC Educational Resources Information Center

Holmes, John

2006-01-01

The direction, complexity and pace of rural change in affluent, western societies can be conceptualized as a multifunctional transition, in which a variable mix of consumption and protection values has emerged, contesting the former dominance of production values, and leading to greater complexity and heterogeneity in rural occupance at all…

Tin monochalcogenide heterostructures as mechanically rigid infrared band gap semiconductors

NASA Astrophysics Data System (ADS)

Özçelik, V. Ongun; Fathi, Mohammad; Azadani, Javad G.; Low, Tony

2018-05-01

Based on first-principles density functional calculations, we show that SnS and SnSe layers can form mechanically rigid heterostructures with the constituent puckered or buckled monolayers. Due to the strong interlayer coupling, the electronic wave functions of the conduction and valence band edges are delocalized across the heterostructure. The resultant band gaps of the heterostructures reside in the infrared region. With strain engineering, the heterostructure band gap undergoes a transition from indirect to direct in the puckered phase. Our results show that there is a direct correlation between the electronic wave function and the mechanical rigidity of the layered heterostructure.

Stability and Occurrence Rate Constraints on the Planetary Sculpting Hypothesis for “Transitional” Disks

NASA Astrophysics Data System (ADS)

Dong, Ruobing; Dawson, Rebekah

2016-07-01

Transitional disks, protoplanetary disks with deep and wide central gaps, may be the result of planetary sculpting. By comparing numerical planet-opening-gap models with observed gaps, we find systems of 3-6 giant planets are needed in order to open gaps with the observed depths and widths. We explore the dynamical stability of such multi-planet systems using N-body simulations that incorporate prescriptions for gas effects. We find they can be stable over a typical disk lifetime, with the help of eccentricity damping from the residual gap gas that facilitates planets locking into mean motion resonances. However, in order to account for the occurrence rate of transitional disks, the planet sculpting scenario demands gap-opening-friendly disk conditions, in particular, a disk viscosity α ≲ 0.001. In addition, the demography of giant planets at ˜3-30 au separations, poorly constrained by current data, has to largely follow occurrence rates extrapolated outward from radial velocity surveys, not the lower occurrence rates extrapolated inward from direct imaging surveys. Even with the most optimistic occurrence rates, transitional disks cannot be a common phase that most gas disks experience at the end of their life, as popularly assumed, simply because there are not enough planets to open these gaps. Finally, as consequences of demanding almost all giant planets at large separations participate in transitional disk sculpting, the majority of such planets must form early and end up in a chain of mean motion resonances at the end of disk lifetime.

A Study of Production of Miscibility Gap Alloys with Controlled Structures

NASA Technical Reports Server (NTRS)

Parr, R. A.; Johnston, M. H.; Burka, J. A.; Davis, J. H.; Lee, J. A.

1983-01-01

Composite materials were directionally solidified using a new technique to align the constituents longitudinally along the length of the specimen. In some instances a tin coating was applied and diffused into the sample to form a high transition temperature superconducting phase. The superconducting properties were measured and compared with the properties obtained for powder composites and re-directionally solidified powder compacts. The samples which were compacted and redirectionally solidified showed the highest transition temperature and wildest transition range. This indicates that both steps, powder compaction and resolidification, determine the final superconducting properties of the material.

Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I-type-II transition of natural band offsets in nonpolar zinc-blende AlxGa1 -xN /AlyGa1 -yN composites

NASA Astrophysics Data System (ADS)

Landmann, M.; Rauls, E.; Schmidt, W. G.

2017-04-01

The composition dependence of the natural band alignment at nonpolar AlxGa1 -xN /AlyGa1 -yN heterojunctions is investigated via hybrid functional based density functional theory. Accurate band-gap data are provided using Heyd-Scuseria-Ernzerhof (HSE) type hybrid functionals with a composition dependent exact-exchange contribution. The unstrained band alignment between zincblende (zb) AlxGa1 -xN semiconductor alloys is studied within the entire ternary composition range utilizing the Branch-point technique to align the energy levels related to the bulklike direct Γv→Γc and indirect, pseudodirect, respectively, Γv→Xc type transitions in zb-AlxGa1 -xN . While the zb-GaN/AlxGa1 -xN band edges consistently show a type-I alignment, the relative position of fundamental band edges changes to a type-II alignment in the Al-rich composition ranges of zb-AlxGa1 -xN /AlN and zb-AlxGa1 -xN /AlyGa1 -yN systems. The presence of a direct-indirect band-gap transition at xc=0.63 in zb-AlxGa1 -xN semiconductor alloys gives rise to a notably different composition dependence of band discontinuities in the direct and indirect energy-gap ranges. Below the critical direct-indirect Al/Ga-crossover concentration, the band offsets show a close to linear dependence on the alloy composition. In contrast, notable bowing characteristics of all band discontinuities are observed above the critical crossover composition.

Disappearance of nodal gap across the insulator-superconductor transition in a copper-oxide superconductor.

PubMed

Peng, Yingying; Meng, Jianqiao; Mou, Daixiang; He, Junfeng; Zhao, Lin; Wu, Yue; Liu, Guodong; Dong, Xiaoli; He, Shaolong; Zhang, Jun; Wang, Xiaoyang; Peng, Qinjun; Wang, Zhimin; Zhang, Shenjin; Yang, Feng; Chen, Chuangtian; Xu, Zuyan; Lee, T K; Zhou, X J

2013-01-01

The parent compound of the copper-oxide high-temperature superconductors is a Mott insulator. Superconductivity is realized by doping an appropriate amount of charge carriers. How a Mott insulator transforms into a superconductor is crucial in understanding the unusual physical properties of high-temperature superconductors and the superconductivity mechanism. Here we report high-resolution angle-resolved photoemission measurement on heavily underdoped Bi₂Sr₂-xLaxCuO(₆+δ) system. The electronic structure of the lightly doped samples exhibit a number of characteristics: existence of an energy gap along the nodal direction, d-wave-like anisotropic energy gap along the underlying Fermi surface, and coexistence of a coherence peak and a broad hump in the photoemission spectra. Our results reveal a clear insulator-superconductor transition at a critical doping level of ~0.10 where the nodal energy gap approaches zero, the three-dimensional antiferromagnetic order disappears, and superconductivity starts to emerge. These observations clearly signal a close connection between the nodal gap, antiferromagnetism and superconductivity.

Stability of direct band gap under mechanical strains for monolayer MoS2, MoSe2, WS2 and WSe2

NASA Astrophysics Data System (ADS)

Deng, Shuo; Li, Lijie; Li, Min

2018-07-01

Single layer transition-metal dichalcogenides materials (MoS2, MoSe2, WS2 and WSe2) are investigated using the first-principles method with the emphasis on their responses to mechanical strains. All these materials display the direct band gap under a certain range of strains from compressive to tensile (stable range). We have found that this stable range is different for these materials. Through studying on their mechanical properties again using the first-principles approach, it is unveiled that this stable strain range is determined by the Young's modulus. More analysis on strains induced electronic band gap properties have also been conducted.

Communication: electronic band gaps of semiconducting zig-zag carbon nanotubes from many-body perturbation theory calculations.

PubMed

Umari, P; Petrenko, O; Taioli, S; De Souza, M M

2012-05-14

Electronic band gaps for optically allowed transitions are calculated for a series of semiconducting single-walled zig-zag carbon nanotubes of increasing diameter within the many-body perturbation theory GW method. The dependence of the evaluated gaps with respect to tube diameters is then compared with those found from previous experimental data for optical gaps combined with theoretical estimations of exciton binding energies. We find that our GW gaps confirm the behavior inferred from experiment. The relationship between the electronic gap and the diameter extrapolated from the GW values is also in excellent agreement with a direct measurement recently performed through scanning tunneling spectroscopy.

Bandgap engineering in van der Waals heterostructures of blue phosphorene and MoS{sub 2}: A first principles calculation

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

Zhang, Z.Y.; Si, M.S., E-mail: sims@lzu.edu.cn; Peng, S.L.

2015-11-15

Blue phosphorene (BP) was theoretically predicted to be thermally stable recently. Considering its similar in-layer hexagonal lattice to MoS{sub 2}, MoS{sub 2} could be an appropriate substrate to grow BP in experiments. In this work, the van der Waals (vdW) heterostructures are constructed by stacking BP on top of MoS{sub 2}. The thermal stability and electronic structures are evaluated based on first principles calculations with vdW-corrected exchange-correlation functional. The formation of the heterostructures is demonstrated to be exothermic and the most stable stacking configuration is confirmed. The heterostructures BP/MoS{sub 2} preserve both the properties of BP and MoS{sub 2} butmore » exhibit relatively narrower bandgaps due to the interlayer coupling effect. The band structures can be further engineered by applying external electric fields. An indirect–direct bandgap transition in bilayer BP/MoS{sub 2} is demonstrated to be controlled by the symmetry property of the built-in electric dipole fields. - Graphical abstract: An indirect-direct band gap transition occurs in van der Waals heterostructure of MoS{sub 2}/BP under external electric fields which is demonstrated to be controlled by the symmetry of the built-in electric dipole fields. - Highlights: • The stacking of heterostructures of BP/MoS{sub 2} is demonstrated to be exothermic. • This suggests that it is possible to grow BP using MoS{sub 2} as the substrate. • The band structures of the heterostructures are exploited. • It realizes an indirect–direct gap transition under external electric fields. • The symmetry of the built-in electric dipole fields controls such gap transition.« less

Bonding Directionality Matters: Direct-Indirect Transition in Few-Layer SnSe

NASA Astrophysics Data System (ADS)

Sirikumara, Hansika; Jayasekera, Thushari

SnSe is one of the best thermoelectric materials reported to date. The possibility of growing few-layer SnSe helped boost the interest in SnSe, and paves the path for various other applications such as photovoltaics and optoelectronics. However, indirect band gap of SnSe hinders its success in such fields. Based on the results from first principles Density Functional Theory, we carefully analyzed electronic band structures of bulk, mono and few-layer SnSe with various interlayer stackings. Our results reveal that it is the directionality of interlayer interactions, which leads to the indirect electronic band gap. In fact, by modifying the interface between layers, there is a possibility of achieving few-layer SnSe with direct electronic band gap. Moreover, the fundamental understanding of interlayer interactions at the atomic level also paves the path for designing Van der Waals heterostructures based on SnSe with prescribed electronic properties.

Interaction phenomena at topological transitions in strongly anisotropic Dirac materials

NASA Astrophysics Data System (ADS)

Kotov, Valeri

2014-03-01

It is known that a topological (Lifshitz) transition can take place in graphene, strained uniaxially in the zig-zag direction. At such a transition the spectrum becomes semi-Dirac like, with linear, ultrarelativistic dispersion in one direction, and quadratic momentum dependence in the other. This type of transition also occurs in other materials as well as in artificial graphene lattices. We have found that long-range Coulomb interactions can lead to profound effects at such topological transitions. In particular, an unusually strong log squared renormalization behavior was found in the effective fermion mass, ultimately leading to very strong changes in the shape of the critical fermion spectrum. We also study the stability of such exotic spectrum towards spontaneous gap formation (excitonic transition). Ultimately we find that the interaction effects are much stronger at topological transitions in strongly anisotropic Dirac materials, compared to ``conventional'' isotropic graphene. Supported in part by DOE grant DE-FG02-08ER46512.

Ultrasonic investigation of the superconducting properties of the Nb-Mo system

NASA Technical Reports Server (NTRS)

Lacy, L. L.

1972-01-01

The superconducting properties of single crystals of Nb and two alloys of Nb with Mo were investigated by ultrasonic techniques. The results of measurements of the ultrasonic attenuation and velocities as a function of temperature, Mo composition, crystallographic direction, and ultrasonic frequency are reported. The attenuation and small velocity changes associated with the superconductivity of the samples are shown to be dependent on the sample resistivity ratio which varied from 4.3 for Nb-9% Mo to 6500 for pure Nb. The ultrasonic attenuation data are analyzed in terms of the superconducting energy gap term of the BCS theory. A new model is proposed for the analysis of ultrasonic attenuation in pure superconductors with two partially decoupled energy bands. To analyze the attenuation in pure superconducting Nb, the existence of two energy gaps was assumed to be associated with the two partially decoupled energy bands. One of the gaps was found to have the normal BCS value of 3.4 and the other gap was found to have the anomalously large value of 10. No experimental evidence was found to suggest that the second energy gap had a different transition temperature. The interpretation of the results for the Nb-Mo alloys is shown to be complicated by the possible existence of a second superconducting phase in Nb-Mo alloys with a transition temperature of 0.35 of the transition temperature of the first phase. The elastic constants of Nb and Nb-Mo alloys are shown to be approximately independent of Mo composition to nine atomic percent Mo. These results do not agree with the current microscopic theory of transition temperature for the transition elements.

The effects of the chemical composition and strain on the electronic properties of GaSb/InAs core-shell nanowires

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

Ning, Feng; Wang, Dan; Tang, Li-Ming, E-mail: lmtang@hnu.edu.cn

2014-09-07

The effects of the chemical composition and strain on the electronic properties of [111] zinc-blende (ZB) and [0001] wurtzite (WZ) GaSb/InAs core-shell nanowires (NWs) with different core diameters and shell thicknesses are studied using first-principles methods. The band structures of the [111] ZB GaSb/InAs core-shell NWs underwent a noticeable type-I/II band alignment transition, associated with a direct-to-indirect band gap transition under a compressive uniaxial strain. The band structures of the [0001] WZ GaSb/InAs core-shell NWs preserved the direct band gap under either compressive or tensile uniaxial strains. In addition, the band gaps and the effective masses of the carriers couldmore » be tuned by their composition. For the core-shell NWs with a fixed GaSb-core size, the band gaps decreased linearly with an increasing InAs-shell thickness, caused by the significant downshift of the conduction bands. For the [111] ZB GaSb/InAs core-shell NWs, the calculated effective masses indicated that the transport properties could be changed from hole-dominated conduction to electron-dominated conduction by changing the InAs-shell thickness.« less

Measurement of Exciton Binding Energy of Monolayer WS2

NASA Astrophysics Data System (ADS)

Chen, Xi; Zhu, Bairen; Cui, Xiaodong

Excitonic effects are prominent in monolayer crystal of transition metal dichalcogenides (TMDCs) because of spatial confinement and reduced Coulomb screening. Here we use linear differential transmission spectroscopy and two-photon photoluminescence excitation spectroscopy (TP-PLE) to measure the exciton binding energy of monolayer WS2. Peaks for excitonic absorptions of the direct gap located at K valley of the Brillouin zone and transitions from multiple points near Γ point of the Brillouin zone, as well as trion side band are shown in the linear absorption spectra of WS2. But there is no gap between distinct excitons and the continuum of the interband transitions. Strong electron-phonon scattering, overlap of excitons around Γ point and the transfer of the oscillator strength from interband continuum to exciton states make it difficult to resolve the electronic interband transition edge even down to 10K. The gap between excited states of the band-edge exciton and the single-particle band is probed by TP-PLE measurements. And the energy difference between 1s exciton and the single-particle gap gives the exciton binding energy of monolayer WS2 to be about 0.71eV. The work is supported by Area of excellency (AoE/P-04/08), CRF of Hong Kong Research Grant Council (HKU9/CRF/13G) and SRT on New Materials of The University of Hong Kong.

The two gap transitions in Ge1 -xSnx : Effect of non-substitutional complex defects

NASA Astrophysics Data System (ADS)

Querales-Flores, J. D.; Ventura, C. I.; Fuhr, J. D.; Barrio, R. A.

2016-09-01

The existence of non-substitutional β-Sn defects in Ge1 -xSnx alloys was confirmed by emission channeling experiments [Decoster et al., Phys. Rev. B 81, 155204 (2010)], which established that, although most Sn enters substitutionally (α-Sn) in the Ge lattice, a second significant fraction corresponds to the Sn-vacancy defect complex in the split-vacancy configuration (β-Sn), in agreement with our previous theoretical study [Ventura et al., Phys. Rev. B 79, 155202 (2009)]. Here, we present the electronic structure calculations for Ge1 -xSnx , including the substitutional α-Sn as well as the non-substitutional β-Sn defects. To include the presence of the non-substitutional complex defects in the electronic structure calculation for this multi-orbital alloy problem, we extended the approach for the purely substitutional alloy by Jenkins and Dow [Phys. Rev. B 36, 7994 (1987)]. We employed an effective substitutional two-site cluster equivalent to the real non-substitutional β-Sn defect, which was determined by a Green's functions calculation. We then calculated the electronic structure of the effective alloy purely in terms of substitutional defects, embedding the effective substitutional clusters in the lattice. Our results describe the two transitions of the fundamental gap of Ge1 -xSnx as a function of the total Sn-concentration: namely, from an indirect to a direct gap, first, and the metallization transition at a higher x. They also highlight the role of β-Sn in the reduction of the concentration range, which corresponds to the direct-gap phase of this alloy of interest for the optoelectronics applications.

Direct Proof of a Defect-Modulated Gap Transition in Semiconducting Nanotubes.

PubMed

Senga, Ryosuke; Pichler, Thomas; Yomogida, Yohei; Tanaka, Takeshi; Kataura, Hiromichi; Suenaga, Kazu

2018-06-13

Measurements of optical properties at a nanometer level are of central importance for the characterization of optoelectronic devices. It is, however, difficult to use conventional light-probe measurements to determine the local optical properties from a single quantum object with nanometrical inhomogeneity. Here, we successfully measured the optical gap transitions of an individual semiconducting carbon nanotube with defects by using a monochromated electron source as a probe. The optical conductivity extracted from an electron energy-loss spectrum for a certain type of defect presents a characteristic modification near the lowest excitation peak ( E 11 ), where excitons and nonradiative transitions, as well as phonon-coupled excitations, are strongly involved. Detailed line-shape analysis of the E 11 peak clearly shows different degrees of exciton lifetime shortening and electronic state modification according to the defect type.

Topologically trivial and nontrivial edge bands in graphene induced by irradiation

NASA Astrophysics Data System (ADS)

Yang, Mou; Cai, Zhi-Jun; Wang, Rui-Qiang; Bai, Yan-Kui

2016-08-01

We proposed a minimal model to describe the Floquet band structure of two-dimensional materials with light-induced resonant inter-band transition. We applied it to graphene to study the band features caused by the light irradiation. Linearly polarized light induces pseudo gaps (gaps are functions of wavevector), and circularly polarized light causes real gaps on the quasi-energy spectrum. If the polarization of light is linear and along the longitudinal direction of zigzag ribbons, flat edge bands appear in the pseudo gaps, and if it is in the lateral direction of armchair ribbons, curved edge bands can be found. For the circularly polarized cases, edge bands arise and intersect in the gaps of both types of ribbons. The edge bands induced by the circularly polarized light are helical and those by linearly polarized light are topologically trivial ones. The Chern number of the Floquet band, which reflects the number of pairs of helical edge bands in graphene ribbons, can be reduced into the winding number at resonance.

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

Kraus, Stefan; Espaillat, Catherine; Wilner, David J.

Pre-transitional disks are protoplanetary disks with a gapped disk structure, potentially indicating the presence of young planets in these systems. In order to explore the structure of these objects and their gap-opening mechanism, we observed the pre-transitional disk V1247 Orionis using the Very Large Telescope Interferometer, the Keck Interferometer, Keck-II, Gemini South, and IRTF. This allows us to spatially resolve the AU-scale disk structure from near- to mid-infrared wavelengths (1.5-13 {mu}m), tracing material at different temperatures and over a wide range of stellocentric radii. Our observations reveal a narrow, optically thick inner-disk component (located at 0.18 AU from the star)more » that is separated from the optically thick outer disk (radii {approx}> 46 AU), providing unambiguous evidence for the existence of a gap in this pre-transitional disk. Surprisingly, we find that the gap region is filled with significant amounts of optically thin material with a carbon-dominated dust mineralogy. The presence of this optically thin gap material cannot be deduced solely from the spectral energy distribution, yet it is the dominant contributor at mid-infrared wavelengths. Furthermore, using Keck/NIRC2 aperture masking observations in the H, K', and L' bands, we detect asymmetries in the brightness distribution on scales of {approx}15-40 AU, i.e., within the gap region. The detected asymmetries are highly significant, yet their amplitude and direction changes with wavelength, which is not consistent with a companion interpretation but indicates an inhomogeneous distribution of the gap material. We interpret this as strong evidence for the presence of complex density structures, possibly reflecting the dynamical interaction of the disk material with sub-stellar mass bodies that are responsible for the gap clearing.« less

L-Asparagine crystals with wide gap semiconductor features: optical absorption measurements and density functional theory computations.

PubMed

Zanatta, G; Gottfried, C; Silva, A M; Caetano, E W S; Sales, F A M; Freire, V N

2014-03-28

Results of optical absorption measurements are presented together with calculated structural, electronic, and optical properties for the anhydrous monoclinic L-asparagine crystal. Density functional theory (DFT) within the generalized gradient approximation (GGA) including dispersion effects (TS, Grimme) was employed to perform the calculations. The optical absorption measurements revealed that the anhydrous monoclinic L-asparagine crystal is a wide band gap material with 4.95 eV main gap energy. DFT-GGA+TS simulations, on the other hand, produced structural parameters in very good agreement with X-ray data. The lattice parameter differences Δa, Δb, Δc between theory and experiment were as small as 0.020, 0.051, and 0.022 Å, respectively. The calculated band gap energy is smaller than the experimental data by about 15%, with a 4.23 eV indirect band gap corresponding to Z → Γ and Z → β transitions. Three other indirect band gaps of 4.30 eV, 4.32 eV, and 4.36 eV are assigned to α3 → Γ, α1 → Γ, and α2 → Γ transitions, respectively. Δ-sol computations, on the other hand, predict a main band gap of 5.00 eV, just 50 meV above the experimental value. Electronic wavefunctions mainly originating from O 2p-carboxyl, C 2p-side chain, and C 2p-carboxyl orbitals contribute most significantly to the highest valence and lowest conduction energy bands, respectively. By varying the lattice parameters from their converged equilibrium values, we show that the unit cell is less stiff along the b direction than for the a and c directions. Effective mass calculations suggest that hole transport behavior is more anisotropic than electron transport, but the mass values allow for some charge mobility except along a direction perpendicular to the molecular layers of L-asparagine which form the crystal, so anhydrous monoclinic L-asparagine crystals could behave as wide gap semiconductors. Finally, the calculations point to a high degree of optical anisotropy for the absorption and complex dielectric function, with more structured curves for incident light polarized along the 100 and 101 directions.

Direct and indirect band gaps in Ge under biaxial tensile strain investigated by photoluminescence and photoreflectance studies

NASA Astrophysics Data System (ADS)

Saladukha, D.; Clavel, M. B.; Murphy-Armando, F.; Greene-Diniz, G.; Grüning, M.; Hudait, M. K.; Ochalski, T. J.

2018-05-01

Germanium is an indirect semiconductor which attracts particular interest as an electronics and photonics material due to low indirect-to-direct band separation. In this work we bend the bands of Ge by means of biaxial tensile strain in order to achieve a direct band gap. Strain is applied by growth of Ge on a lattice mismatched InGaAs buffer layer with variable In content. Band structure is studied by photoluminescence and photoreflectance, giving the indirect and direct bands of the material. Obtained experimental energy band values are compared with a k .p simulation. Photoreflectance spectra are also simulated and compared with the experiment. The obtained results indicate direct band structure obtained for a Ge sample with 1.94 % strain applied, with preferable Γ valley to heavy hole transition.

Small band gap superlattices as intrinsic long wavelength infrared detector materials

NASA Technical Reports Server (NTRS)

Smith, Darryl L.; Mailhiot, C.

1990-01-01

Intrinsic long wavelength (lambda greater than or equal to 10 microns) infrared (IR) detectors are currently made from the alloy (Hg, Cd)Te. There is one parameter, the alloy composition, which can be varied to control the properties of this material. The parameter is chosen to set the band gap (cut-off wavelength). The (Hg, Cd)Te alloy has the zincblend crystal structure. Consequently, the electron and light-hole effective masses are essentially inversely proportional to the band gap. As a result, the electron and light-hole effective masses are very small (M sub(exp asterisk)/M sub o approx. M sub Ih/M sub o approx. less than 0.01) whereas the heavy-hole effective mass is ordinary size (M sub hh(exp asterisk)/M sub o approx. 0.4) for the alloy compositions required for intrinsic long wavelength IR detection. This combination of effective masses leads to rather easy tunneling and relatively large Auger transition rates. These are undesirable characteristics, which must be designed around, of an IR detector material. They follow directly from the fact that (Hg, Cd)Te has the zincblend crystal structure and a small band gap. In small band gap superlattices, such as HgTe/CdTe, In(As, Sb)/InSb and InAs/(Ga,In)Sb, the band gap is determined by the superlattice layer thicknesses as well as by the alloy composition (for superlattices containing an alloy). The effective masses are not directly related to the band gap and can be separately varied. In addition, both strain and quantum confinement can be used to split the light-hole band away from the valence band maximum. These band structure engineering options can be used to reduce tunneling probabilities and Auger transition rates compared with a small band gap zincblend structure material. Researchers discuss the different band structure engineering options for the various classes of small band gap superlattices.

Direct measurement of the spin gap in a quasi-one-dimensional clinopyroxene: NaTiSi 2 O 6

DOE PAGES

Silverstein, Harlyn J.; Smith, Alison E.; Mauws, Cole; ...

2014-10-13

True inorganic Spin-Peierls materials are extremely rare, but NaTiSi 2O 6 was at one time considered an ideal candidate due to it having well separated chains of edge-sharing TiO 6 octahedra. At low temperatures, this material undergoes a phase transition from C2/c to Pmore » $$\\bar{1}$$ symmetry, where Ti 3+-Ti 3+ dimers begin to form within the chains. However, it was quickly realized with magnetic susceptibility that simple spin fluctuations do not progress to the point of enabling such a transition. Since then, considerable experimental and theoretical endeavours have been taken to find the true ground state of this system and explain how it manifests. Here, we employ the use of x-ray diffraction, neutron spectroscopy, and magnetic susceptibility to directly and simultaneously measure the symmetry loss, spin singlet-triplet gap, and phonon modes. Lastly, we observed a gap of 53(3) meV, fit to the magnetic susceptibility, and compared to previous theoretical models to unambiguously assign NaTiSi 2O 6 as having an orbital-assisted Peierls ground state.« less

An observation of direct-gap electroluminescence in GaAs structures with Ge quantum wells

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

Aleshkin, V. Ya.; Dikareva, N. V.; Dubinov, A. A., E-mail: sanya@ipm.sci-nnov.ru

2015-02-15

A light-emitting diode structure based on GaAs with eight narrow Ge quantum wells is grown by laser sputtering. An electroluminescence line polarized predominately in the plane parallel to the constituent layers of the structure is revealed. The line corresponds to the direct optical transitions in momentum space in the Ge quantum wells.

Thickness dependence of optical properties of amorphous indium oxide thin films deposited by reactive evaporation

NASA Astrophysics Data System (ADS)

Uluta, K.; Deer, D.; Skarlatos, Y.

2006-08-01

The electrical conductivity and absorption coefficient of amorphous indium oxide thin films, thermally evaporated on glass substrates at room temperature, were evaluated. For direct transitions the variation of the optical band gap with thickness was determined and this variation was supposed to appear due to the variation of localized gap states, whereas the variation of conductivity with thickness was supposed to be due to the variation of carrier concentration. We attribute the variation of absorption coefficient with thickness to the variation of optical band gap energy rather than optical interference.

Superconductivity and bandwidth-controlled Mott metal-insulator transition in 1T-TaS2-xSex

NASA Astrophysics Data System (ADS)

Ang, R.; Miyata, Y.; Ieki, E.; Nakayama, K.; Sato, T.; Liu, Y.; Lu, W. J.; Sun, Y. P.; Takahashi, T.

2013-09-01

We have performed high-resolution angle-resolved photoemission spectroscopy (ARPES) of layered chalcogenide 1T-TaS2-xSex to elucidate the electronic states especially relevant to the occurrence of superconductivity. We found a direct evidence for a Ta-5d-derived electron pocket associated with the superconductivity, which is fragile against a Mott-gap opening observed in the insulating ground state for S-rich samples. In particular, a strong electron-electron interaction-induced Mott gap driven by a Ta 5d orbital also exists in the metallic ground state for Se-rich samples, while finite ARPES intensity near the Fermi level likely originating from a Se 4p orbital survives, indicative of the orbital-selective nature of the Mott transition. Present results suggest that effective electron correlation and p-d hybridization play a crucial role to tune the superconductivity and Mott metal-insulator transition.

A direct evidence of allocating yellow luminescence band in undoped GaN by two-wavelength excited photoluminescence

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

Julkarnain, M., E-mail: s13ds053@mail.saitama-u.ac.jp, E-mail: jnain.apee@ru.ac.bd; Department of Applied Physics and Electronic Engineering, University of Rajshahi, Rajshahi 6205; Fukuda, T.

2015-11-23

The behavior of below-gap luminescence of undoped GaN grown by MOCVD has been studied by the scheme of two-wavelength-excited photoluminescence. The emission intensity of shallow donor to valence band transition (I{sub OX}) increased while intensities of donor-acceptor pair transition and the Yellow Luminescence band (YLB) decreased after the irradiation of a below-gap excitation source of 1.17 eV. The conventional energy schemes and recombination models have been considered to explain our experimental result but only one model in which YLB is the transition of a shallow donor to a deep state placed at ∼1 eV above the valence band maximum satisfies our result.more » The defect related parameters that give a qualitative insight in the samples have been evaluated by systematically solving the rate equations and fitting the result with the experiment.« less

Electronic and optical properties of double perovskite Ba2VMoO6: FP-LAPW study

NASA Astrophysics Data System (ADS)

Hnamte, Lalhriatpuia; Sandeep, Joshi, Himanshu; Thapa, R. K.

2018-05-01

The calculation is carried out using the FPLAPW method in the DFT framework within mBJ and LDA using the WIEN2k code. The investigation of electronic properties showed Ba2VMoO6 to be semi-metal in spin-up and insulation in spin down. In both spin up and spin down channel, direct band gap along with indirect band gap in ΓX direction was observed. For investigation of the optical transitions in this compound, the real and imaginary parts of the dielectric function, reflectivity, refractive index and optical conductivity of real and imaginary parts are calculated and analysed.

Carbon kagome lattice and orbital-frustration-induced metal-insulator transition for optoelectronics.

PubMed

Chen, Yuanping; Sun, Y Y; Wang, H; West, D; Xie, Yuee; Zhong, J; Meunier, V; Cohen, Marvin L; Zhang, S B

2014-08-22

A three-dimensional elemental carbon kagome lattice, made of only fourfold-coordinated carbon atoms, is proposed based on first-principles calculations. Despite the existence of 60° bond angles in the triangle rings, widely perceived to be energetically unfavorable, the carbon kagome lattice is found to display exceptional stability comparable to that of C(60). The system allows us to study the effects of triangular frustration on the electronic properties of realistic solids, and it demonstrates a metal-insulator transition from that of graphene to a direct gap semiconductor in the visible blue region. By minimizing s-p orbital hybridization, which is an intrinsic property of carbon, not only the band edge states become nearly purely frustrated p states, but also the band structure is qualitatively different from any known bulk elemental semiconductors. For example, the optical properties are similar to those of direct-gap semiconductors GaN and ZnO, whereas the effective masses are comparable to or smaller than those of Si.

Transition-Metal Substitution Doping in Synthetic Atomically Thin Semiconductors

DOE PAGES

Gao, Jian; Kim, Young Duck; Liang, Liangbo; ...

2016-09-20

Semiconductor impurity doping has enabled an entire generation of technology. The emergence of alternative semiconductor material systems, such as transition metal dichalcogenides (TMDCs), requires the development of scalable doping strategies. We report an unprecedented one-pot synthesis for transition-metal substitution in large-area, synthetic monolayer TMDCs. Electron microscopy, optical and electronic transport characterization and ab initio calculations indicate that our doping strategy preserves the attractive qualities of TMDC monolayers, including semiconducting transport and strong direct-gap luminescence. These results are expected to encourage exploration of transition-metal substitution in two-dimensional systems, potentially enabling next-generation optoelectronic technology in the atomically-thin regime.

Co-Operative Advances in Behavioral Health and Performance Research and Operations

NASA Technical Reports Server (NTRS)

VanderArk, Stephen T.; Leveton, Lauren B.

2011-01-01

In organizations that engage in both operations and applied research, with operational needs guiding research questions and research informing improved operations, the ideal goal is a synergy of ideas and information. In reality, this ideal synergy is often lacking. Real-time operational needs driving day-to-day decisions, lack of communication, lag time in getting research advances plugged into operations can cause both areas to suffer from this gap between operations and research. At Johnson Space Center, the Behavior Health and Performance group (BHP) strives to bridge this gap by following a Human Research Program framework: Expectations of future operational needs identify the knowledge gaps; the gaps in turn guide research leading to a product that is transitioned into operations. Thus, the direction those of us in research take is in direct response to current and future needs of operations. Likewise, those of us in operations actively seek knowledge that is supported by evidence-based research. We make an ongoing effort to communicate across the research and operations gap by working closely with each other and making a conscious effort to keep each other informed. The objective of the proposed panel discussion is to demonstrate through the following presentations the results of a successful collaboration between research and operations and to provide ASMA members with more practical knowledge and strategies for building these bridges to serve our field of practice well. The panel will consist of six presenters from BHP operations, internal BHP research, and external research instigated by BHP who together represent the entire BHP Research Transition to Operations Framework

Interband absorption edge in the topological insulators Bi2(Te1-xSex) 3

NASA Astrophysics Data System (ADS)

Dubroka, A.; Caha, O.; Hronček, M.; Friš, P.; Orlita, M.; Holý, V.; Steiner, H.; Bauer, G.; Springholz, G.; Humlíček, J.

2017-12-01

We have investigated the optical properties of thin films of topological insulators Bi2Te3 , Bi2Se3 , and their alloys Bi2(Te1-xSex) 3 on BaF2 substrates by a combination of infrared ellipsometry and reflectivity in the energy range from 0.06 to 6.5 eV. For the onset of interband absorption in Bi2Se3 , after the correction for the Burstein-Moss effect, we find the value of the direct band gap of 215 ±10 meV at 10 K. Our data support the picture that Bi2Se3 has a direct band gap located at the Γ point in the Brillouin zone and that the valence band reaches up to the Dirac point and has the shape of a downward-oriented paraboloid, i.e., without a camel-back structure. In Bi2Te3 , the onset of strong direct interband absorption at 10 K is at a similar energy of about 200 meV, with a weaker additional feature at about 170 meV. Our data support the recent G W band-structure calculations suggesting that the direct interband transition does not occur at the Γ point but near the Z -F line of the Brillouin zone. In the Bi2(Te1-xSex) 3 alloy, the energy of the onset of direct interband transitions exhibits a maximum near x =0.3 (i.e., the composition of Bi2Te2Se ), suggesting that the crossover of the direct interband transitions between the two points in the Brillouin zone occurs close to this composition.

Transitional geomagnetic impulse hypothesis: Geomagnetic fact or rock-magnetic artifact?

NASA Astrophysics Data System (ADS)

Camps, Pierre; Coe, Robert S.; PréVot, Michel

1999-08-01

A striking feature of the Steens Mountain (Oregon) geomagnetic polarity reversal is the two (maybe three) extremely rapid field directional changes (6 degrees per day) proposed to account for unusual behavior in direction of remanent magnetization in a single lava flow. Each of these very fast field changes, or impulses, is associated with a large directional gap (some 90°) in the record. In order to check the spatial reproducibility of the paleomagnetic signal over distances up to several kilometers, we have carried out a paleomagnetic investigation of two new sections (B and F) in the Steens summit region which cover the second and the third directional gap. The main result is the description of two new directions, which are located between the pre second and post second impulse directions. These findings weigh against the hypothesis that the geomagnetic field cause the unusual intraflow fluctuations, which now appears to be more ad hoc as an explanation of the paleomagnetic data. However, the alternative baking hypothesis remains also ad hoc since we have to assume variable rock magnetic properties that we have not yet been able to detect within the flows at the original section Steens A and D 1.5 km to the north. In addition, new results for 22 transitional and normal lava flows in section B are presented that correlate well with earlier results from section A.

Strain, stabilities and electronic properties of hexagonal BN bilayers

NASA Astrophysics Data System (ADS)

Fujimoto, Yoshitaka; Saito, Susumu

Hexagonal boron nitride (h-BN) atomic layers have been regarded as fascinating materials both scientifically and technologically due to the sizable band gap. This sizable band-gap nature of the h-BN atomic layers would provide not only new physical properties but also novel nano- and/or opto-electronics applications. Here, we study the first-principles density-functional study that clarifies the biaxial strain effects on the energetics and the electronic properties of h-BN bilayers. We show that the band gaps of the h-BN bilayers are tunable by applying strains. Furthermore, we show that the biaxial strains can produce a transition from indirect to direct band gaps of the h-BN bilayer. We also discuss that both AA and AB stacking patterns of h-BN bilayer become feasible structures because h-BN bilayers possess two different directions in the stacking patterns. Supported by MEXT Elements Strategy Initiative to Form Core Research Center through Tokodai Institute for Element Strategy, JSPS KAKENHI Grant Numbers JP26390062 and JP25107005.

Complex band structures of transition metal dichalcogenide monolayers with spin-orbit coupling effects

NASA Astrophysics Data System (ADS)

Szczęśniak, Dominik; Ennaoui, Ahmed; Ahzi, Saïd

2016-09-01

Recently, the transition metal dichalcogenides have attracted renewed attention due to the potential use of their low-dimensional forms in both nano- and opto-electronics. In such applications, the electronic and transport properties of monolayer transition metal dichalcogenides play a pivotal role. The present paper provides a new insight into these essential properties by studying the complex band structures of popular transition metal dichalcogenide monolayers (MX 2, where M  =  Mo, W; X  =  S, Se, Te) while including spin-orbit coupling effects. The conducted symmetry-based tight-binding calculations show that the analytical continuation from the real band structures to the complex momentum space leads to nonlinear generalized eigenvalue problems. Herein an efficient method for solving such a class of nonlinear problems is presented and yields a complete set of physically relevant eigenvalues. Solutions obtained by this method are characterized and classified into propagating and evanescent states, where the latter states manifest not only monotonic but also oscillatory decay character. It is observed that some of the oscillatory evanescent states create characteristic complex loops at the direct band gap of MX 2 monolayers, where electrons can directly tunnel between the band gap edges. To describe these tunneling currents, decay behavior of electronic states in the forbidden energy region is elucidated and their importance within the ballistic transport regime is briefly discussed.

Band gap tuning of epitaxial SrTiO{sub 3-δ}/Si(001) thin films through strain engineering

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

Cottier, Ryan J.; Steinle, Nathan A.; Currie, Daniel A.

2015-11-30

We investigate the effect of strain and oxygen vacancies (V{sub O}) on the crystal and optical properties of oxygen deficient, ultra-thin (4–30 nm) films of SrTiO{sub 3-δ} (STO) grown heteroepitaxially on p-Si(001) substrates by molecular beam epitaxy. We demonstrate that STO band gap tuning can be achieved through strain engineering and show that the energy shift of the direct energy gap transition of SrTiO{sub 3-δ}/Si films has a quantifiable dimensional and doping dependence that correlates well with the changes in crystal structure.

Energy band gaps in graphene nanoribbons with corners

NASA Astrophysics Data System (ADS)

Szczȩśniak, Dominik; Durajski, Artur P.; Khater, Antoine; Ghader, Doried

2016-05-01

In the present paper, we study the relation between the band gap size and the corner-corner length in representative chevron-shaped graphene nanoribbons (CGNRs) with 120° and 150° corner edges. The direct physical insight into the electronic properties of CGNRs is provided within the tight-binding model with phenomenological edge parameters, developed against recent first-principle results. We show that the analyzed CGNRs exhibit inverse relation between their band gaps and corner-corner lengths, and that they do not present a metal-insulator transition when the chemical edge modifications are introduced. Our results also suggest that the band gap width for the CGNRs is predominantly governed by the armchair edge effects, and is tunable through edge modifications with foreign atoms dressing.

Electronic structure of graphene- and BN-supported phosphorene

NASA Astrophysics Data System (ADS)

Davletshin, Artur R.; Ustiuzhanina, Svetlana V.; Kistanov, Andrey A.; Saadatmand, Danial; Dmitriev, Sergey V.; Zhou, Kun; Korznikova, Elena A.

2018-04-01

By using first-principles calculations, the effects of graphene and boron nitride (BN) substrates on the electronic properties of phosphorene are studied. Graphene-supported phosphorene is found to be metallic, while the BN-supported phosphorene is a semiconductor with a moderate band gap of 1.02 eV. Furthermore, the effects of the van der Waals interactions between the phosphorene and graphene or BN layers by means of the interlayer distance change are investigated. It is shown that the interlayer distance change leads to significant band gap size modulations and direct-indirect band gap transitions in the phosphorene-BN heterostructure. The presented band gap engineering of phosphorene may be a powerful technique for the fabrication of high-performance phosphorene-based nanodevices.

Direct optical band gap measurement in polycrystalline semiconductors: A critical look at the Tauc method

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

Dolgonos, Alex; Mason, Thomas O.; Poeppelmeier, Kenneth R., E-mail: krp@northwestern.edu

2016-08-15

The direct optical band gap of semiconductors is traditionally measured by extrapolating the linear region of the square of the absorption curve to the x-axis, and a variation of this method, developed by Tauc, has also been widely used. The application of the Tauc method to crystalline materials is rooted in misconception–and traditional linear extrapolation methods are inappropriate for use on degenerate semiconductors, where the occupation of conduction band energy states cannot be ignored. A new method is proposed for extracting a direct optical band gap from absorption spectra of degenerately-doped bulk semiconductors. This method was applied to pseudo-absorption spectramore » of Sn-doped In{sub 2}O{sub 3} (ITO)—converted from diffuse-reflectance measurements on bulk specimens. The results of this analysis were corroborated by room-temperature photoluminescence excitation measurements, which yielded values of optical band gap and Burstein–Moss shift that are consistent with previous studies on In{sub 2}O{sub 3} single crystals and thin films. - Highlights: • The Tauc method of band gap measurement is re-evaluated for crystalline materials. • Graphical method proposed for extracting optical band gaps from absorption spectra. • The proposed method incorporates an energy broadening term for energy transitions. • Values for ITO were self-consistent between two different measurement methods.« less

Canonical Schottky barrier heights of transition metal dichalcogenide monolayers in contact with a metal

NASA Astrophysics Data System (ADS)

Szcześniak, Dominik; Hoehn, Ross D.; Kais, Sabre

2018-05-01

The transition metal dichalcogenide (M X2 , where M =Mo , W and X =S , Se, Te) monolayers are of high interest for semiconducting applications at the nanoscale level; this interest is due to both their direct band gaps and high charge mobilities. In this regard, an in-depth understating of the related Schottky barrier heights, associated with the incorporation of M X2 sheets into novel low-dimensional metal-semiconductor junctions, is of crucial importance. Herein, we generate and provide analysis of the Schottky barrier heights behavior to account for the metal-induced gap states concept as its explanation. In particular, the present investigations concentrate on the estimation of the charge neutrality levels directly by employing the primary theoretical model, i.e., the cell-averaged Green's function formalism combined with the complex band structure technique. The results presented herein place charge neutrality levels in the vicinity of the midgap; this is in agreement with previous reports and analogous to the behavior of three-dimensional semiconductors. The calculated canonical Schottky barrier heights are also found to be in agreement with other computational and experimental values in cases where the difference between electronegativities of the semiconductor and metal contact is small. Moreover, the influence of the spin-orbit effects is herein considered and supports that Schottky barrier heights have metal-induced gap state-derived character, regardless whether spin-orbit coupling interactions are considered. The results presented within this report constitute a direct and vital verification of the importance of metal-induced gap states in explaining the behavior of observed Schottky barrier heights at M X2 -metal junctions.

Tuning Ferritin’s band gap through mixed metal oxide nanoparticle formation

NASA Astrophysics Data System (ADS)

Olsen, Cameron R.; Embley, Jacob S.; Hansen, Kameron R.; Henrichsen, Andrew M.; Peterson, J. Ryan; Colton, John S.; Watt, Richard K.

2017-05-01

This study uses the formation of a mixed metal oxide inside ferritin to tune the band gap energy of the ferritin mineral. The mixed metal oxide is composed of both Co and Mn, and is formed by reacting aqueous Co2+ with {{{{MnO}}}4}- in the presence of apoferritin. Altering the ratio between the two reactants allowed for controlled tuning of the band gap energies. All minerals formed were indirect band gap materials, with indirect band gap energies ranging from 0.52 to 1.30 eV. The direct transitions were also measured, with energy values ranging from 2.71 to 3.11 eV. Tuning the band gap energies of these samples changes the wavelengths absorbed by each mineral, increasing ferritin’s potential in solar-energy harvesting. Additionally, the success of using {{{{MnO}}}4}- in ferritin mineral formation opens the possibility for new mixed metal oxide cores inside ferritin.

Momentum-resolved hidden-order gap reveals symmetry breaking and origin of entropy loss in URu2Si2

NASA Astrophysics Data System (ADS)

Bareille, C.; Boariu, F. L.; Schwab, H.; Lejay, P.; Reinert, F.; Santander-Syro, A. F.

2014-07-01

Spontaneous symmetry breaking in physical systems leads to salient phenomena at all scales, from the Higgs mechanism and the emergence of the mass of the elementary particles, to superconductivity and magnetism in solids. The hidden-order state arising below 17.5 K in URu2Si2 is a puzzling example of one of such phase transitions: its associated broken symmetry and gap structure have remained longstanding riddles. Here we directly image how, across the hidden-order transition, the electronic structure of URu2Si2 abruptly reconstructs. We observe an energy gap of 7 meV opening over 70% of a large diamond-like heavy-fermion Fermi surface, resulting in the formation of four small Fermi petals, and a change in the electronic periodicity from body-centred tetragonal to simple tetragonal. Our results explain the large entropy loss in the hidden-order phase, and the similarity between this phase and the high-pressure antiferromagnetic phase found in quantum-oscillation experiments.

Novel acid mono azo dye compound: Synthesis, characterization, vibrational, optical and theoretical investigations of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-dimethoxybenzoic acid

NASA Astrophysics Data System (ADS)

Saçmacı, Mustafa; Çavuş, Hatice Kanbur; Arı, Hatice; Şahingöz, Recep; Özpozan, Talat

2012-11-01

Novel acid mono azo dye, 2-[(E)-(8-hydroxyquinolin-5yl)-diazenyl]-4,5-dimethoxybenzoic acid (HQD), was synthesized by coupling diazonium salt solution of 2-amino-4,5-dimethoxybenzoic acid (DMA) with 8-hydroxyquinoline (HQ). This dye was characterized by UV-vis, IR & Raman, 1H and 13C NMR spectroscopic techniques and elemental analysis. The normal coordinate analysis of HQD was also performed to assign each band in vibrational spectra. DFT (B3LYP and B3PW91) calculations were employed to optimize the geometry, to interpret NMR spectra, to calculate and to determine the stable tautomeric structure of the compound. Natural Bond Orbital (NBO) analysis was performed to investigate intramolecular interactions. The vibrational spectral data obtained from solid phase IR & Raman spectra were assigned based on the results of the theoretical calculations. UV-vis spectroscopic technique was employed to obtain the optical band gap of HQD. The analysis of the optical absorption data revealed the existence of direct and indirect transitions in the optical band gaps. The optical band gaps of HQD have been found 1.95 and 1.90 eV for direct and indirect transitions, respectively.

Monolithic Ge-on-Si lasers for large-scale electronic-photonic integration

NASA Astrophysics Data System (ADS)

Liu, Jifeng; Kimerling, Lionel C.; Michel, Jurgen

2012-09-01

A silicon-based monolithic laser source has long been envisioned as a key enabling component for large-scale electronic-photonic integration in future generations of high-performance computation and communication systems. In this paper we present a comprehensive review on the development of monolithic Ge-on-Si lasers for this application. Starting with a historical review of light emission from the direct gap transition of Ge dating back to the 1960s, we focus on the rapid progress in band-engineered Ge-on-Si lasers in the past five years after a nearly 30-year gap in this research field. Ge has become an interesting candidate for active devices in Si photonics in the past decade due to its pseudo-direct gap behavior and compatibility with Si complementary metal oxide semiconductor (CMOS) processing. In 2007, we proposed combing tensile strain with n-type doping to compensate the energy difference between the direct and indirect band gap of Ge, thereby achieving net optical gain for CMOS-compatible diode lasers. Here we systematically present theoretical modeling, material growth methods, spontaneous emission, optical gain, and lasing under optical and electrical pumping from band-engineered Ge-on-Si, culminated by recently demonstrated electrically pumped Ge-on-Si lasers with >1 mW output in the communication wavelength window of 1500-1700 nm. The broad gain spectrum enables on-chip wavelength division multiplexing. A unique feature of band-engineered pseudo-direct gap Ge light emitters is that the emission intensity increases with temperature, exactly opposite to conventional direct gap semiconductor light-emitting devices. This extraordinary thermal anti-quenching behavior greatly facilitates monolithic integration on Si microchips where temperatures can reach up to 80 °C during operation. The same band-engineering approach can be extended to other pseudo-direct gap semiconductors, allowing us to achieve efficient light emission at wavelengths previously considered inaccessible.

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

NASA Astrophysics Data System (ADS)

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.

Superconductor-insulator transition and Fermi-Bose crossovers

DOE PAGES

Loh, Yen Lee; Randeria, Mohit; Trivedi, Nandini; ...

2016-05-31

The direct transition from an insulator to a superconductor (SC) in Fermi systems is a problem of long-standing interest, which necessarily goes beyond the standard BCS paradigm of superconductivity as a Fermi surface instability. We introduce here a simple, translationally invariant lattice fermion model that undergoes a SC-insulator transition (SIT) and elucidate its properties using analytical methods and quantum Monte Carlo simulations. We show that there is a fermionic band insulator to bosonic insulator crossover in the insulating phase and a BCS-to-BEC crossover in the SC. The SIT is always found to be from a bosonic insulator to a BEC-likemore » SC, with an energy gap for fermions that remains finite across the SIT. Hence, the energy scales that go critical at the SIT are the gap to pair excitations in the insulator and the superfluid stiffness in the SC. In addition to giving insight into important questions about the SIT in solid-state systems, our model should be experimentally realizable using ultracold fermions in optical lattices.« less

Determination of the optical band-gap energy of cubic and hexagonal boron nitride using luminescence excitation spectroscopy

NASA Astrophysics Data System (ADS)

Evans, D. A.; McGlynn, A. G.; Towlson, B. M.; Gunn, M.; Jones, D.; Jenkins, T. E.; Winter, R.; Poolton, N. R. J.

2008-02-01

Using synchrotron-based luminescence excitation spectroscopy in the energy range 4-20 eV at 8 K, the indirect Γ-X optical band-gap transition in cubic boron nitride is determined as 6.36 ± 0.03 eV, and the quasi-direct band-gap energy of hexagonal boron nitride is determined as 5.96 ± 0.04 eV. The composition and structure of the materials are self-consistently established by optically detected x-ray absorption spectroscopy, and both x-ray diffraction and Raman measurements on the same samples give independent confirmation of their chemical and structural purity: together, the results are therefore considered as providing definitive measurements of the optical band-gap energies of the two materials.

A first-principles study of impurity effects on monolayer MoS2: bandgap dominated by donor impurities

NASA Astrophysics Data System (ADS)

Zhang, Hua; Zhou, Wenzhe; Yang, Zhixiong; Wu, Shoujian; Ouyang, Fangping; Xu, Hui

2017-12-01

Based on the first principles calculation, the electrical properties and optical properties of monolayer molybdenum disulfide (MoS2) substitutionally doped by the VB and VIIB transition metal atoms (V, Nb, Ta, Mn, Tc, Re) were investigated. It is found that n-type doping or p-type doping tunes the Fermi level into the conduction band or the valence band respectively, leading to the degenerate semiconductor, while the compensatorily doped systems where the number of valence electrons is not alerted remain direct band gap ranging from 0.958 eV to 1.414 eV. According to the analysis on densities of states, the LUMO orbitals of donor impurities play the crucial role in band gap tuning. Hence, the band gap and optical properties of doped MoS2 are dominated by the species of the donor. Due to the reduction of the band gap, doped MoS2 have a lower threshold energy of photon absorption and an enhanced absorption in near infrared region. These results provide a significant guidance for the design of new 2D optoelectronic materials based on transition metal disulfide.

Probing the Optical Properties and Strain-Tuning of Ultrathin Mo1- xW xTe2.

PubMed

Aslan, Ozgur Burak; Datye, Isha M; Mleczko, Michal J; Sze Cheung, Karen; Krylyuk, Sergiy; Bruma, Alina; Kalish, Irina; Davydov, Albert V; Pop, Eric; Heinz, Tony F

2018-04-11

Ultrathin transition metal dichalcogenides (TMDCs) have recently been extensively investigated to understand their electronic and optical properties. Here we study ultrathin Mo 0.91 W 0.09 Te 2 , a semiconducting alloy of MoTe 2 , using Raman, photoluminescence (PL), and optical absorption spectroscopy. Mo 0.91 W 0.09 Te 2 transitions from an indirect to a direct optical band gap in the limit of monolayer thickness, exhibiting an optical gap of 1.10 eV, very close to its MoTe 2 counterpart. We apply tensile strain, for the first time, to monolayer MoTe 2 and Mo 0.91 W 0.09 Te 2 to tune the band structure of these materials; we observe that their optical band gaps decrease by 70 meV at 2.3% uniaxial strain. The spectral widths of the PL peaks decrease with increasing strain, which we attribute to weaker exciton-phonon intervalley scattering. Strained MoTe 2 and Mo 0.91 W 0.09 Te 2 extend the range of band gaps of TMDC monolayers further into the near-infrared, an important attribute for potential applications in optoelectronics.

Probing the Optical Properties and Strain-Tuning of Ultrathin Mo 1–xW xTe 2

DOE PAGES

Aslan, Ozgur Burak; Datye, Isha M.; Mleczko, Michal J.; ...

2018-03-21

Ultrathin transition metal dichalcogenides (TMDCs) have recently been extensively investigated to understand their electronic and optical properties. Here we study ultrathin Mo 0.91W 0.09Te 2, a semiconducting alloy of MoTe 2, using Raman, photoluminescence (PL), and optical absorption spectroscopy. Mo 0.91W 0.09Te 2 transitions from an indirect to a direct optical band gap in the limit of monolayer thickness, exhibiting an optical gap of 1.10 eV, very close to its MoTe 2 counterpart. We apply tensile strain, for the first time, to monolayer MoTe 2 and Mo 0.91W 0.09Te 2 to tune the band structure of these materials; we observemore » that their optical band gaps decrease by 70 meV at 2.3% uniaxial strain. The spectral widths of the PL peaks decrease with increasing strain, which we attribute to weaker exciton–phonon intervalley scattering. Furthermore, strained MoTe 2 and Mo 0.91W 0.09Te 2 extend the range of band gaps of TMDC monolayers further into the near-infrared, an important attribute for potential applications in optoelectronics.« less

Probing the Optical Properties and Strain-Tuning of Ultrathin Mo 1–xW xTe 2

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

Aslan, Ozgur Burak; Datye, Isha M.; Mleczko, Michal J.

Ultrathin transition metal dichalcogenides (TMDCs) have recently been extensively investigated to understand their electronic and optical properties. Here we study ultrathin Mo 0.91W 0.09Te 2, a semiconducting alloy of MoTe 2, using Raman, photoluminescence (PL), and optical absorption spectroscopy. Mo 0.91W 0.09Te 2 transitions from an indirect to a direct optical band gap in the limit of monolayer thickness, exhibiting an optical gap of 1.10 eV, very close to its MoTe 2 counterpart. We apply tensile strain, for the first time, to monolayer MoTe 2 and Mo 0.91W 0.09Te 2 to tune the band structure of these materials; we observemore » that their optical band gaps decrease by 70 meV at 2.3% uniaxial strain. The spectral widths of the PL peaks decrease with increasing strain, which we attribute to weaker exciton–phonon intervalley scattering. Furthermore, strained MoTe 2 and Mo 0.91W 0.09Te 2 extend the range of band gaps of TMDC monolayers further into the near-infrared, an important attribute for potential applications in optoelectronics.« less

Anisotropy of band gap absorption in TlGaSe2 semiconductor by ferroelectric phase transformation

NASA Astrophysics Data System (ADS)

Gulbinas, Karolis; Grivickas, Vytautas; Gavryushin, Vladimir

2014-12-01

The depth-resolved free-carrier absorption and the photo-acoustic response are used to examine the band-gap absorption in 2D-TlGaSe2 layered semiconductor after its transformation into the ferroelectric F-phase below 107 K. The absorption exhibits unusual behavior with a biaxial character in respect to the light polarization on the layer plane. A spectral analysis shows that the anisotropy is associated to the lowest Γ-direct optical transition. The Γ-absorption and the localized exciton at 2.11 eV are dipole-prohibited or partially allowed in two nearly perpendicular polarization directions. The shift of anisotropy axis in respect to crystallographic a- and b-directions demonstrates the non-equivalent zigzag rearrangement of the interlayer connecting Tl+ ions, which is responsible for occurrence of the F-phase.

Intrinsic optical confinement for ultrathin InAsN quantum well superlattices

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

Sakri, A.; Robert, C.; Pedesseau, L.

We study energy-band engineering with InAsN monolayer in GaAs/GaP quantum well structure. A tight-binding calculation indicates that both type I alignment along with direct band-gap behavior can be obtained. We show that the optical transitions are less sensitive to the position of the probe.

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

NASA Astrophysics Data System (ADS)

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

2015-01-01

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

USDOT Integrated Corridor Management (ICM) Initiative Transit Data Gaps for Rail Transit Systems Initial Planning Workshop Notes

DOT National Transportation Integrated Search

2008-06-23

This document presents the notes taken at the USDOT Integrated Corridor Management (ICM) Transit Data Gaps for Rail Transit Systems Initial Planning Workshop. Different scenarios for handling increased demand on rail and bus transit systems are discu...

Two Photon Absorption And Refraction in Bulk of the Semiconducting Materials

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

Kumari, Vinay; Department of Physics, DCRUST Murthal, Haryana; Kumar, Vinod

2011-10-20

Fast electronic detection systems have opened up a number of new fields like nonlinear optics, optical communication, coherent optics, optical bistability, two/four wave mixing. The interest in this field has been stimulated by the importance of multiphoton processes in many fundamental aspects of physics. It has proved to be an invaluable tool for determining the optical and electronic properties of the solids because of the fact that one gets the information about the bulk of the material rather than the surface one. In this paper we report, the measurement of the nonlinear absorption and refraction from the band gap tomore » half-band gap region of bulk of semiconductors in the direct and indirect band gap crystals with nanosecond laser. The measured theoretical calculated values of two-photon absorption coefficients ({beta}) and nonlinear refraction n{sub 2}({omega}) of direct band gap crystal match the earlier reported theoretical predictions. By making use of these theoretical calculated values, we have estimated {beta} and n{sub 2}({omega}) in the case of indirect band gap crystals. Low value of absorption coefficient in case of indirect band gap crystals have been attributed to phonon assisted transition while reduction in nonlinear refraction is due to the rise in saturation taking place in the absorption.« less

High Pressure Optical Studies of the Thallous Halides and of Charge-Transfer Complexes

NASA Astrophysics Data System (ADS)

Jurgensen, Charles Willard

High pressure was used to study the insulator -to-metal transition in sulfur and the thallous halides and to study the intermolecular interactions in charge -transfer complexes. The approach to the band overlap insulator -to-metal transition was studied in three thallous halides and sulfur by optical absorption measurements of the band gap as a function of pressure. The band gap of sulfur continuously decreases with pressure up to the insulator -to-metal transition which occurs between 450 and 485 kbars. The results on the thallous halides indicate that the indirect gap decreases more rapidly than the direct gap; the closing of the indirect gap is responsible for the observed insulator -to-metal transitions. High pressure electronic and vibrational spectroscopic measurements on the solid-state complexes of HMB-TCNE were used to study the intermolecular interactions of charge -transfer complexes. The vibrational frequency shifts indicate that the degree of charge transfer increases with pressure which is independently confirmed by an increase in the molar absorptivity of the electronic charge-transfer peak. Induction and dispersion forces contribute towards a red shift of the charge-transfer peak; however, charge-transfer resonance contributes toward a blue shift and this effect is dominant for the HMB-TCNE complexes. High pressure electronic spectra were used to study the effect of intermolecular interactions on the electronic states of TCNQ and its complexes. The red shifts with pressure of the electronic spectra of TCNQ and (TCNQ)(' -) in polymer media and of crystalline TCNQ can be understood in terms of Van der Waals interactions. None of the calculations which considered intradimer distance obtained the proper behavior for either the charge-transfer of the locally excited states of the complexes. The qualitative behavior of both states can be interpreted as the effect of increased mixing of the locally excited and charge transfer states.

N-Functionalized MXenes: ultrahigh carrier mobility and multifunctional properties.

PubMed

Shao, Yangfan; Zhang, Fang; Shi, Xingqiang; Pan, Hui

2017-11-01

Two dimensional (2D) nanomaterials have demonstrated huge potential in wide applications from nanodevices to energy harvesting/storage. In this work, we propose a new class of 2D monolayers, nitrogen-functionalized MXenes (Nb 2 CN 2 and Ta 2 CN 2 ), based on density-functional theory (DFT). We find that these monolayers are direct semiconductors with near linear energy dispersions at the Γ point. M 2 CN 2 monolayers have significant small effective mass and show an ultra-high mobility of up to 10 6 cm 2 V -1 s -1 . We show that the electronic structures of the M 2 CN 2 monolayers can be easily controlled by biaxial and uniaxial strains. Importantly, the carrier mobility and direct band gap can be dramatically increased within a certain range of strain. A direct-indirect band gap transition can be triggered and the band gap can be tuned under strain. The tunable electronic properties are attributed to the structural changes and charge redistribution under stain. Our findings demonstrate that N-functionalized MXenes are promising materials for nanodevices with high speed and low power.

Pressure induced phase transition in CdTe nanowire: A DFT study

NASA Astrophysics Data System (ADS)

Bhatia, Manjeet; Khan, Md. Shahzad; Srivastava, Anurag

2018-05-01

We have studied structural phase transition and electronic properties of CdTe nanowires in their wurtzite (B4) to rocksalt (B1) phase by first principles density functional calculations using SIESTA code. Nanowires are derived from wurtzite and rocksalt phase of bulk CdTe with growth direction along 100 planes. We observed structural phase transition from B4→B1 at 4.79 GPa. Wurtzite structure is found to have band gap 2.30 eV while rocksalt is metallic in nature. Our calculated lattice constant (4.55 Å for B4 and 5.84 Å for B1), transition pressure (4.79 GPa) and electronic structure results are in close agreement with the previous calculations on bulk and nanostructures.

Interlayer excitons in MoSe2/WSe2 heterostructures from first principles

NASA Astrophysics Data System (ADS)

Gillen, Roland; Maultzsch, Janina

2018-04-01

Based on ab initio theoretical calculations of the optical spectra of vertical heterostructures of MoSe2 (or MoS2) and WSe2 sheets, we reveal two spin-orbit-split Rydberg series of excitonic states below the A excitons of MoSe2 and WSe2 with a significant binding energy on the order of 250 meV for the first excitons in the series. At the same time, we predict from accurate many-body G0W0 calculations that crystallographically aligned MoSe2/WSe2 heterostructures exhibit an indirect fundamental band gap. Due to the type-II nature of the MoSe2/WSe2 heterostructure, the indirect transition and the exciton Rydberg series corresponding to a direct transition exhibit a distinct interlayer nature with spatial charge separation of the coupled electrons and holes. Our calculations confirm the recent experimental observation of a doublet nature of the long-lived states in photoluminescence spectra of Mo X2/W Y2 heterostructures, and we attribute these two contributions to momentum-direct interlayer excitons at the K point of the hexagonal Brillouin zone and to momentum-indirect excitons at the indirect fundamental band gap. Our calculations further suggest a noticeable effect of stacking order on the electronic band gaps and on the peak energies of the interlayer excitons and their oscillation strengths.

Photoinduced Chern insulating states in semi-Dirac materials

NASA Astrophysics Data System (ADS)

Saha, Kush

2016-08-01

Two-dimensional (2D) semi-Dirac materials are characterized by a quadratic dispersion in one direction and a linear dispersion along the orthogonal direction. We study the topological phase transition in such 2D systems in the presence of an electromagnetic field. We show that a Chern insulating state emerges in a semi-Dirac system with two gapless Dirac nodes in the presence of light. In particular, we show that the intensity of a circularly polarized light can be used as a knob to generate topological states with nonzero Chern number. In addition, for fixed intensity and frequency of the light, a semi-Dirac system with two gapped Dirac nodes with trivial band topology can reveal the topological transition as a function of polarization of the light.

Structural, electronic, optical and thermoelectric investigations of antiperovskites A3SnO (A = Ca, Sr, Ba) using density functional theory

NASA Astrophysics Data System (ADS)

Hassan, M.; Shahid, A.; Mahmood, Q.

2018-02-01

Density functional theory study of the structural, electrical, optical and thermoelectric behaviors of very less investigated anti-perovskites A3SnO (A = Ca, Sr, Ba) is performed with FP-LAPW technique. The A3SnO exhibit narrow direct band gap, in contrast to the wide indirect band gap of the respective perovskites. Hence, indirect to direct band gap transformation can be realized by the structural transition from perovskite to anti-perovskite. The p-p hybridization between A and O states result in the covalent bonding. The transparency and maximum reflectivity to the certain energies, and the verification of the Penn's model indicate potential optical device applications. Thermoelectric behaviors computed within 200-800 K depict that Ca3SnO exhibits good thermoelectric performance than Ba3SnO and Sr3SnO, and all three operate at their best at 800 K suggesting high temperature thermoelectric device applications.

Low temperature absorption edge and photoluminescence study in TlIn(Se1-xSx)2 layered mixed crystals

NASA Astrophysics Data System (ADS)

Gasanly, N. M.

2018-02-01

Transmission on TlIn(Se1-xSx)2 mixed crystals (0.25 ≤ x ≤ 1) were carried out in the 400-800 nm wavelength range at T = 10 K. Band gap energies of the studied crystals were obtained using the derivative spectra of transmittance. The compositional dependence of direct band gap energy at T = 10 K revealed that as sulfur composition is increased in the mixed crystals, the direct band gap energy rises from 2.26 eV (x = 0.25) to 2.56 eV (x = 1). Photoluminescence spectra of TlIn(Se1-xSx)2 mixed crystals were studied in the wavelength region of 400-620 nm at T = 10 K. The observed bands were attributed to the transitions of electrons from shallow donor levels to the valence band. The shift of the PL bands to higher energies with elevating sulfur content was revealed. Moreover, the composition ratio of the mixed crystals was obtained from the energy dispersive spectroscopy measurements.

Sequential and direct ionic excitation in the strong-field ionization of 1-butene molecules.

PubMed

Schell, Felix; Boguslavskiy, Andrey E; Schulz, Claus Peter; Patchkovskii, Serguei; Vrakking, Marc J J; Stolow, Albert; Mikosch, Jochen

2018-05-18

We study the Strong-Field Ionization (SFI) of the hydrocarbon 1-butene as a function of wavelength using photoion-photoelectron covariance and coincidence spectroscopy. We observe a striking transition in the fragment-associated photoelectron spectra: from a single Above Threshold Ionization (ATI) progression for photon energies less than the cation D0-D1 gap to two ATI progressions for a photon energy greater than this gap. For the first case, electronically excited cations are created by SFI populating the ground cationic state D0, followed by sequential post-ionization excitation. For the second case, direct sub-cycle SFI to the D1 excited cation state contributes significantly. Our experiments access ionization dynamics in a regime where strong-field and resonance-enhanced processes can interplay.

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

NASA Astrophysics Data System (ADS)

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

2016-07-01

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

General theory of excitation energy transfer in donor-mediator-acceptor systems.

PubMed

Kimura, Akihiro

2009-04-21

General theory of the excitation energy transfer (EET) in the case of donor-mediator-acceptor system was constructed by using generalized master equation (GME). In this theory, we consider the direct and indirect transitions in the EET consistently. Hence, our theory includes the quantum mechanical interference between the direct and indirect transitions automatically. Memory functions in the GME were expressed by the overlap integrals among the time-dependent emission spectrum of the donor, the absorption spectrum of the mediator, the time-dependent emission spectrum of the mediator, and the absorption spectrum of the acceptor. In the Markov limit of the memory functions, we obtained the rate of EET which consists of three terms due to the direct transition, the indirect transition, and the interference between them. We found that the interference works effectively in the limit of slow thermalization at the intermediate state. The formula of EET rate in this limit was expressed by the convolution of the EET interaction and optical spectra. The interference effect strongly depends on the width of the absorption spectrum of mediator molecule and the energy gap between the donor and the mediator molecules.

Birefringence and band structure of CdP2 crystals

NASA Astrophysics Data System (ADS)

Beril, S. I.; Stamov, I. G.; Syrbu, N. N.; Zalamai, V. V.

2013-08-01

The spatial dispersion in CdP2 crystals was investigated. The dispersion is positive (nk||с>nk||у) at λ>λ0 and negative (nk||с

Nature of the insulating ground state of the 5d postperovskite CaIrO 3

DOE PAGES

Kim, Sun -Woo; Liu, Chen; Kim, Hyun -Jung; ...

2015-08-26

In this study, the insulating ground state of the 5d transition metal oxide CaIrO 3 has been classified as a Mott-type insulator. Based on a systematic density functional theory (DFT) study with local, semilocal, and hybrid exchange-correlation functionals, we reveal that the Ir t 2g states exhibit large splittings and one-dimensional electronic states along the c axis due to a tetragonal crystal field. Our hybrid DFT calculation adequately describes the antiferromagnetic (AFM) order along the c direction via a superexchange interaction between Ir 4+ spins. Furthermore, the spin-orbit coupling (SOC) hybridizes the t 2g states to open an insulating gap.more » These results indicate that CaIrO 3 can be represented as a spin-orbit Slater insulator, driven by the interplay between a long-range AFM order and the SOC. Such a Slater mechanism for the gap formation is also demonstrated by the DFT + dynamical mean field theory calculation, where the metal-insulator transition and the paramagnetic to AFM phase transition are concomitant with each other.« less

Microstructure and Mechanical Properties of Narrow Gap Laser-Arc Hybrid Welded 40 mm Thick Mild Steel.

PubMed

Zhang, Chen; Li, Geng; Gao, Ming; Zeng, XiaoYan

2017-01-26

Both laser-arc hybrid welding and narrow gap welding have potential for the fabrication of thick sections, but their combination has been seldom studied. In this research, 40 mm thick mild steel was welded by narrow gap laser-arc hybrid welding. A weld with smooth layer transition, free of visible defects, was obtained by nine passes at a 6 mm width narrow gap. The lower part of the weld has the lowest mechanical properties because of the lowest amount of acicular ferrite, but its ultimate tensile strength and impact absorbing energy is still 49% and 60% higher than those of base metal, respectively. The microhardness deviation of all filler layers along weld thickness direction is no more than 15 HV 0.2 , indicating that no temper softening appeared during multiple heat cycles. The results provide an alternative technique for improving the efficiency and quality of welding thick sections.

Microstructure and Mechanical Properties of Narrow Gap Laser-Arc Hybrid Welded 40 mm Thick Mild Steel

PubMed Central

Zhang, Chen; Li, Geng; Gao, Ming; Zeng, XiaoYan

2017-01-01

Both laser-arc hybrid welding and narrow gap welding have potential for the fabrication of thick sections, but their combination has been seldom studied. In this research, 40 mm thick mild steel was welded by narrow gap laser-arc hybrid welding. A weld with smooth layer transition, free of visible defects, was obtained by nine passes at a 6 mm width narrow gap. The lower part of the weld has the lowest mechanical properties because of the lowest amount of acicular ferrite, but its ultimate tensile strength and impact absorbing energy is still 49% and 60% higher than those of base metal, respectively. The microhardness deviation of all filler layers along weld thickness direction is no more than 15 HV0.2, indicating that no temper softening appeared during multiple heat cycles. The results provide an alternative technique for improving the efficiency and quality of welding thick sections. PMID:28772469

Giant Mechano-Optoelectronic Effect in an Atomically Thin Semiconductor

DOE PAGES

Wu, Wei; Wang, Jin; Ercius, Peter; ...

2018-03-20

Transition metal dichalcogenides (TMDs) are particularly sensitive to mechanical strain as they are capable of experiencing high atomic displacements without nucleating defects to release excess energy. Promising for photonic applications, it has been shown that as TMDs are scaled to a thickness of one monolayer, the photoluminescence response is dramatically enhanced due to the emergence of a direct electronic band gap, compared with multi-layer or bulk TMDs which typically exhibit indirect band gaps. Recently, mechanical strain has also been predicted to enable direct excitonic recombination in these materials, where large changes in the photoluminescence response will occur during an indirect-to-directmore » band gap transition brought on by elastic tensile strain. Here, we demonstrate a two orders of magnitude enhancement in the photoluminescence emission intensity in uniaxially strained single crystalline WSe 2 bilayers. Through a theoretical model which includes experimentally relevant system conditions, we determine this amplification to arise from a significant increase in direct excitonic recombination. Adding confidence to the high levels of elastic strain achieved in this report, we observe strain-independent mode-dependent Grüneisen parameters over the entire range of tensile strain (1– 3.59 %) which were obtained as 1.149±0.027, 0.307±0.061, and 0.357±0.103 for the E 2g, A 1g, and A 2 1g optical phonon modes, respectively. Lastly, these results can inform the predictive strain-engineered design of other atomically thin indirect semiconductors, where a decrease in out-of-plane bonding strength will lead to an increase in the strength of strain-coupled optoelectronic effects.« less

Superfluid density and Berezinskii-Kosterlitz-Thouless transition of a spin-orbit-coupled Fulde-Ferrell superfluid

DOE PAGES

Cao, Ye; Liu, Xia -Ji; He, Lianyi; ...

2015-02-09

We theoretically investigate the superfluid density and Berezinskii-Kosterlitz-Thouless (BKT) transition of a two-dimensional Rashba spin-orbit-coupled atomic Fermi gas with both in-plane and out-of-plane Zeeman fields. It was recently predicted that, by tuning the two Zeeman fields, the system may exhibit different exotic Fulde-Ferrell (FF) superfluid phases, including the gapped FF, gapless FF, gapless topological FF, and gapped topological FF states. Due to the FF paring, we show that the superfluid density (tensor) of the system becomes anisotropic. When an in-plane Zeeman field is applied along the x direction, the tensor component along the y direction n s,yy is generally largermore » than n s,xx in most parameter space. At zero temperature, there is always a discontinuity jump in n s,xx as the system evolves from a gapped FF into a gapless FF state. With increasing temperature, such a jump is gradually washed out. The critical BKT temperature has been calculated as functions of the spin-orbit-coupling strength, interatomic interaction strength, and in-plane and out-of-plane Zeeman fields. We predict that the novel FF superfluid phases have a significant critical BKT temperature, typically at the order of 0.1T F, where T F is the Fermi degenerate temperature. Furthermore, their observation is within the reach of current experimental techniques in cold-atom laboratories.« less

Determination of gap solution and critical temperature in doped graphene superconductivity

NASA Astrophysics Data System (ADS)

Xu, Chenmei; Yang, Yisong

2017-04-01

It is shown that the gap solution and critical transition temperature are significantly enhanced by doping in a recently developed BCS formalism for graphene superconductivity in such a way that positive gap and transition temperature both occur in arbitrary pairing coupling as far as doping is present. The analytic construction of the BCS gap and transition temperature offers highly effective globally convergent iterative methods for the computation of these quantities. A series of numerical examples are presented as illustrations which are in agreement with the theoretical and experimental results obtained in the physics literature and consolidate the analytic understanding achieved.

Introductory Physics Gender Gaps: Pre- and Post-Studio Transition

NASA Astrophysics Data System (ADS)

Kohl, Patrick B.; Kuo, H. Vincent

2009-11-01

Prior work has characterized the gender gaps present in college-level introductory physics courses. Such work has also shown that research-based interactive engagement techniques can reduce or eliminate these gender gaps. In this paper, we study the gender gaps (and lack thereof) in the introductory calculus-based electricity and magnetism course at the Colorado School of Mines. We present eight semesters' worth of data, totaling 2577 students, with four semesters preceding a transition to Studio physics, and four following. We examine gender gaps in course grades, DFW (D grade, fail, or withdrawal) rates, and normalized gains on the Conceptual Survey of Electricity and Magnetism (CSEM), and consider factors such as student ACT scores and grades in prior math classes. We find little or no gap in male/female course grades and DFW rates, but substantial gaps in CSEM gains that are reduced somewhat by the transition to Studio physics.

Theoretical investigation of the structural stabilities, optoelectronic properties and thermodynamic characteristics of GaPxSb1-x ternary alloys

NASA Astrophysics Data System (ADS)

Oumelaz, F.; Nemiri, O.; Boumaza, A.; Ghemid, S.; Meradji, H.; Bin Omran, S.; El Haj Hassan, F.; Rai, D. P.; Khenata, R.

2018-06-01

In this theoretical study, we have investigated the structural, phase transition, electronic, thermodynamic and optical properties of GaPxSb1-x ternary alloys. Our calculations are performed with the WIEN2k code based on density functional theory using the full-potential linearized augmented plane wave method. For the electron exchange-correlation potential, a generalized gradient approximation within Wu-Cohen scheme is considered. The recently developed Tran-Blaha modified Becke-Johnson potential has also been used to improve the underestimated band gap. The structural properties, including the lattice constants, the bulk moduli and their pressure derivatives are in very good agreement with the available experimental data and theoretical results. Several structural phase transitions were studied here to establish the stable structure and to predict the phase transition under hydrostatic pressure. The computed transition pressure (Pt) of the material of our interest from the zinc blende (B3) to the rock salt (B1) phase has been determined and found to agree well with the experimental and theoretical data. The calculated band structure shows that GaSb binary compound and the ternary alloys are direct band gap semiconductors. Optical parameters such as the dielectric constants and the refractive indices are calculated and analyzed. The thermodynamic results are also interpreted and analyzed.

TRANSITION DISK CHEMISTRY AND FUTURE PROSPECTS WITH ALMA

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

Cleeves, L. Ilsedore; Bergin, Edwin A.; Bethell, Thomas J.

2011-12-10

We explore the chemical structure of a disk that contains a large central gap of R {approx} 45 AU, as is commonly seen in transitional disk systems. In our chemical model of a disk with a cleared inner void, the midplane becomes revealed to the central star so that it is directly irradiated. The midplane material at the truncation radius is permissive to reprocessed optical heating radiation, but opaque to the photodissociating ultraviolet, creating an environment abundant in gas-phase molecules. Thus the disk midplane, which would otherwise for a full disk be dominated by near complete heavy element freeze-out, shouldmore » become observable in molecular emission. If this prediction is correct this has exciting prospects for observations with the Atacama Large Millimeter/Submillimeter Array, as the inner transition region should thus be readily detected and resolved, especially using high-J rotational transitions excited in the high density midplane gas. Therefore, such observations will potentially provide us with a direct probe of the physics and chemistry at this actively evolving interface.« less

Towards autonomous locomotion: CPG-based control of smooth 3D slithering gait transition of a snake-like robot.

PubMed

Bing, Zhenshan; Cheng, Long; Chen, Guang; Röhrbein, Florian; Huang, Kai; Knoll, Alois

2017-04-04

Snake-like robots with 3D locomotion ability have significant advantages of adaptive travelling in diverse complex terrain over traditional legged or wheeled mobile robots. Despite numerous developed gaits, these snake-like robots suffer from unsmooth gait transitions by changing the locomotion speed, direction, and body shape, which would potentially cause undesired movement and abnormal torque. Hence, there exists a knowledge gap for snake-like robots to achieve autonomous locomotion. To address this problem, this paper presents the smooth slithering gait transition control based on a lightweight central pattern generator (CPG) model for snake-like robots. First, based on the convergence behavior of the gradient system, a lightweight CPG model with fast computing time was designed and compared with other widely adopted CPG models. Then, by reshaping the body into a more stable geometry, the slithering gait was modified, and studied based on the proposed CPG model, including the gait transition of locomotion speed, moving direction, and body shape. In contrast to sinusoid-based method, extensive simulations and prototype experiments finally demonstrated that smooth slithering gait transition can be effectively achieved using the proposed CPG-based control method without generating undesired locomotion and abnormal torque.

Structural and optical band gap of PEO/PVP polymer blend

NASA Astrophysics Data System (ADS)

Basappa, M.; Yesappa, L.; Niranjana, M.; Ashokkumar, S. P.; Vandana, M.; Vijeth, H.; Devendrappa, H.

2018-05-01

The PEO/PVP polymers blend film at different wt % of PVP is prepared by solution casting method using methanol as a solvent. The blend was characterized by FT-IR to confirm the blend and the peak observed in the region 1230-980 cm-1 corresponds to C-O-C symmetric and asymmetric stretching. The UV-visible absorption shows red shift from 190 to 220 nm in the ultra violet region is attributed to π→π* transition. The direct and indirect optical band gaps were determined and found decreases from 4.99 to 4.62 eV with increased PVP wt % to 50:50.

Duality-mediated critical amplitude ratios for the (2 + 1)-dimensional S = 1XY model

NASA Astrophysics Data System (ADS)

Nishiyama, Yoshihiro

2017-09-01

The phase transition for the (2 + 1)-dimensional spin-S = 1XY model was investigated numerically. Because of the boson-vortex duality, the spin stiffness ρs in the ordered phase and the vortex-condensate stiffness ρv in the disordered phase should have a close relationship. We employed the exact diagonalization method, which yields the excitation gap directly. As a result, we estimate the amplitude ratios ρs,v/Δ (Δ: Mott insulator gap) by means of the scaling analyses for the finite-size cluster with N ≤ 22 spins. The ratio ρs/ρv admits a quantitative measure of deviation from selfduality.

Effects of gap width on droplet transfer behavior in ultra-narrow gap laser welding of high strength aluminum alloys

NASA Astrophysics Data System (ADS)

Song, Chaoqun; Dong, Shiyun; Yan, Shixing; He, Jiawu; Xu, Binshi; He, Peng

2017-10-01

Ultra-narrow gap laser welding is a novel method for thick high strength aluminum alloy plate for its lower heat input, less deformation and higher efficiency. To obtain a perfect welding quality, it is vital to control the more complex droplet transfer behavior under the influence of ultra-narrow gap groove. This paper reports the effects of gap width of groove on droplet transfer behavior in ultra-narrow gap laser welding of 7A52 aluminum alloy plates by a high speed camera, using an ER 5356 filler wire. The results showed that the gap width had directly effects on droplet transfer mode and droplet shape. The droplet transfer modes were, in order, both-sidewall transfer, single-sidewall transfer, globular droplet transfer and bridging transfer, with different droplet shape and transition period, as the gap width increased from 2 mm to 3.5mm. The effect of gap width on lack of fusion was also studied to analyze the cause for lack of fusion at the bottom and on the sidewall of groove. Finally, with a 2.5 mm U-type parallel groove, a single-pass joint with no lack of fusion and other macro welding defects was successfully obtained in a single-sidewall transfer mode.

Structural, vibrational, and electronic topological transitions of Bi1.5Sb0.5Te1.8Se1.2 under pressure

NASA Astrophysics Data System (ADS)

Kim, Joon-Seok; Juneja, Rinkle; Salke, Nilesh P.; Palosz, Witold; Swaminathan, Venkataraman; Trivedi, Sudhir; Singh, Abhishek K.; Akinwande, Deji; Lin, Jung-Fu

2018-03-01

Topological insulators have been the subject of intense research interest due to their unique surface states that are topologically protected against scattering or defects. However, the relationship between the crystal structure and topological insulator state remains to be clarified. Here, we show the effects of hydrostatic pressure on the structural, vibrational, and topological properties of the topological insulator Bi1.5Sb0.5Te1.8Se1.2 up to 45 GPa using X-ray diffraction and Raman spectroscopy in a diamond anvil cell, together with first-principles theoretical calculations. Two pressure-induced structural phase transitions were observed: from ambient rhombohedral R 3 ¯ m phase to a monoclinic C2/m phase at ˜13 GPa, and to a disordered I4/mmm phase at ˜22 GPa. In addition, the alloy undergoes several electronic transitions within the R 3 ¯ m phase: indirect to direct bulk band gap transition at ˜5.8 GPa, bulk gap closing with an appearance of Dirac semimetal (DSM) state at ˜8.2 GPa, and to a trivial semimetal state at ˜12.1 GPa. Anomalies in c/a ratio and Raman full width at half maximum that coincide with the DSM phase suggest the contribution of electron-phonon coupling to the transition. Compared to binary end members Bi2Te3, Bi2Se3, and Sb2Te3, the structural phase transition and anomaly were observed at higher pressures in Bi1.5Sb0.5Te1.8Se1.2. These results suggest that the topological transitions are precursors to the structural phase transitions.

Direct evidence for a pressure-induced nodal superconducting gap in the Ba0.65Rb0.35Fe2As2 superconductor

PubMed Central

Guguchia, Z.; Amato, A.; Kang, J.; Luetkens, H.; Biswas, P. K.; Prando, G.; von Rohr, F.; Bukowski, Z.; Shengelaya, A.; Keller, H.; Morenzoni, E.; Fernandes, Rafael M.; Khasanov, R.

2015-01-01

The superconducting gap structure in iron-based high-temperature superconductors (Fe-HTSs) is non-universal. In contrast to other unconventional superconductors, in the Fe-HTSs both d-wave and extended s-wave pairing symmetries are close in energy. Probing the proximity between these very different superconducting states and identifying experimental parameters that can tune them is of central interest. Here we report high-pressure muon spin rotation experiments on the temperature-dependent magnetic penetration depth in the optimally doped nodeless s-wave Fe-HTS Ba0.65Rb0.35Fe2As2. Upon pressure, a strong decrease of the penetration depth in the zero-temperature limit is observed, while the superconducting transition temperature remains nearly constant. More importantly, the low-temperature behaviour of the inverse-squared magnetic penetration depth, which is a direct measure of the superfluid density, changes qualitatively from an exponential saturation at zero pressure to a linear-in-temperature behaviour at higher pressures, indicating that hydrostatic pressure promotes the appearance of nodes in the superconducting gap. PMID:26548650

Ultrafast spectroscopy of exciton and exciton dynamics in mono and few layers of WS2

NASA Astrophysics Data System (ADS)

Khadka, Sudiksha; Aleithan, Shrouq; Livshits, Max; Rack, Jeffrey J.; Kordesch, Martin; Stinaff, Eric

Single layer of Transitional metal dichalcogenides (MX2) are 2D semiconductors that have a direct band gap in visible spectrum and fill the gap in between 2D metallic and insulating materials. They have possible application in optoelectronic devices, photovoltaics and photodetection, molecular sensing, 'valleytronics', and flexible transparent electronics. Tungsten Disulphide (WS2), one of the member of MX2 family, has a direct band gap of 2.2 eV and a large valley splitting of about 0.4 eV. Here, we present a detailed study of exciton states and their decay mechanisms in mono and few layer WS2 using femto-second transient absorption spectroscopy. We report a new peak at 3.01+/-0.1 eV whose origin in k space is believed to be at or around K point and further investigation is under way. The exponential fitting of decay curve of the exciton A reveals three time components as 1.7+/-0.3 ps, 33.5+/-10 ps and 670+/-15 ps, most likely corresponding to carrier-carrier scattering, carrier-phonon scattering, and radiative relaxation respectively.

Ultrafast spectroscopy of exciton and exciton dynamics in mono and few layers of WS2

NASA Astrophysics Data System (ADS)

Khadka, Sudiksha; Aleithan, Shrouq; Livshits, Max; Rack, Jeffrey J.; Kordesch, Martin; Stinaff, Eric

Single layer of Transitional metal dichalcogenides (MX2) are 2D semiconductors that have a direct band gap in visible spectrum and fill the gap in between 2D metallic and insulating materials. They have possible application in optoelectronic devices, photovoltaics and photodetection, molecular sensing, 'valleytronics', and flexible transparent electronics. Tungsten Disulphide (WS2), one of the member of MX2 family, has a direct band gap of 2.2 eV and a large valley splitting of about 0.4 eV. Here, we present a detailed study of exciton states and their decay mechanisms in mono and few layer WS2 using femto-second transient absorption spectroscopy. We report a new peak at 3.01+/-0.1 eV whose origin in k space is believed to be at or around K point and further investigation is underway. The exponential fitting of decay curve of the exciton A reveals three time components as 1.7+/-0.3 ps, 33.5+/-10 ps and 670+/-15 ps, most likely corresponding to carrier-carrier scattering, carrier-phonon scattering, and radiative relaxation respectively.

Direct evidence for a pressure-induced nodal superconducting gap in the Ba 0.65Rb 0.35Fe 2As 2 superconductor

DOE PAGES

Guguchia, Z.; Amato, A.; Kang, J.; ...

2015-11-09

The superconducting gap structure in iron-based high-temperature superconductors (Fe-HTSs) is non-universal. Contrasting with other unconventional superconductors, in the Fe-HTSs both d-wave and extended s-wave pairing symmetries are close in energy. Probing the proximity between these very different superconducting states and identifying experimental parameters that can tune them is of central interest. Here we report high-pressure muon spin rotation experiments on the temperature-dependent magnetic penetration depth in the optimally doped nodeless s-wave Fe-HTS Ba 0.65Rb 0.35Fe 2As 2. Upon pressure, a strong decrease of the penetration depth in the zero-temperature limit is observed, while the superconducting transition temperature remains nearly constant.more » More importantly, the low-temperature behaviour of the inverse-squared magnetic penetration depth, which is a direct measure of the superfluid density, changes qualitatively from an exponential saturation at zero pressure to a linear-in-temperature behaviour at higher pressures, indicating that hydrostatic pressure promotes the appearance of nodes in the superconducting gap.« less

Pressure-induced structural and electronic transitions, metallization, and enhanced visible-light responsiveness in layered rhenium disulphide

NASA Astrophysics Data System (ADS)

Wang, Pei; Wang, Yonggang; Qu, Jingyu; Zhu, Qiang; Yang, Wenge; Zhu, Jinlong; Wang, Liping; Zhang, Weiwei; He, Duanwei; Zhao, Yusheng

2018-06-01

Triclinic rhenium disulphide (Re S2 ) is a promising candidate for postsilicon electronics because of its unique optic-electronic properties. The electrical and optical properties of Re S2 under high pressure, however, remain unclear. Here we present a joint experimental and theoretical study on the structure, electronic, and vibrational properties, and visible-light responses of Re S2 up to 50 GPa. There is a direct-to-indirect band-gap transition in 1 T -Re S2 under low-pressure regime up to 5 GPa. Upon further compression, 1 T -Re S2 undergoes a structural transition to distorted-1 T' phase at 7.7 GPa, followed by the isostructural metallization at 38.5 GPa. Both in situ Raman spectrum and electronic structure analysis reveal that interlayer sulfur-sulfur interaction is greatly enhanced during compression, leading to the remarkable modifications on the electronic properties observed in our subsequent experimental measurements, such as band-gap closure and enhanced photoresponsiveness. This study demonstrates the critical role of pressure in tuning materials properties and the potential usage of layered Re S2 for pressure-responsive optoelectronic applications.

Voltage-Controlled Switching and Thermal Effects in VO2 Nano-Gap Junctions

DTIC Science & Technology

2014-06-09

Voltage-controlled switching and thermal effects in VO2 nano-gap junctions Arash Joushaghani,1 Junho Jeong,1 Suzanne Paradis,2 David Alain,2 J...2014) Voltage-controlled switching in lateral VO2 nano-gap junctions with different gap lengths and thermal properties was investigated. The effect of...indicate that the VO2 phase transition was likely initiated electroni- cally, which was sometimes followed by a secondary thermally-induced transition

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

Loh, Yen Lee; Randeria, Mohit; Trivedi, Nandini

The direct transition from an insulator to a superconductor (SC) in Fermi systems is a problem of long-standing interest, which necessarily goes beyond the standard BCS paradigm of superconductivity as a Fermi surface instability. We introduce here a simple, translationally invariant lattice fermion model that undergoes a SC-insulator transition (SIT) and elucidate its properties using analytical methods and quantum Monte Carlo simulations. We show that there is a fermionic band insulator to bosonic insulator crossover in the insulating phase and a BCS-to-BEC crossover in the SC. The SIT is always found to be from a bosonic insulator to a BEC-likemore » SC, with an energy gap for fermions that remains finite across the SIT. Hence, the energy scales that go critical at the SIT are the gap to pair excitations in the insulator and the superfluid stiffness in the SC. In addition to giving insight into important questions about the SIT in solid-state systems, our model should be experimentally realizable using ultracold fermions in optical lattices.« less

Strong spin-lattice coupling in CrSiTe 3

DOE PAGES

Casto, L. D.; Clune, A. J.; Yokosuk, M. O.; ...

2015-03-19

CrSiTe 3 has attracted recent interest as a candidate single-layer ferromagnetic semiconductor, but relatively little is known about the bulk properties of this material. Here, we report single-crystal X-ray diffraction, magnetic properties, thermal conductivity, vibrational, and optical spectroscopies and compare our findings with complementary electronic structure and lattice dynamics principles calculations. The high temperature paramagnetic phase is characterized by strong spin-lattice interactions that give rise to glassy behavior, negative thermal expansion, and an optical response that reveals that CrSiTe 3 is an indirect gap semiconductor with indirect and direct band gaps at 0.4 and 1.2 eV, respectively. Measurements of themore » phonons across the 33 K ferromagnetic transition provide additional evidence for strong coupling between the magnetic and lattice degrees of freedom. In conclusion, the Si-Te stretching and Te displacement modes are sensitive to the magnetic ordering transition, a finding that we discuss in terms of the superexchange mechanism. Lastly, spin-lattice coupling constants are also extracted.« less

Implementation of an inter-agency transition model for youth with spina bifida.

PubMed

Lindsay, S; Cruickshank, H; McPherson, A C; Maxwell, J

2016-03-01

To address gaps in transfer of care and transition support, a paediatric hospital and adult community health care centre partnered to implement an inter-agency transition model for youth with spina bifida. Our objective was to understand the enablers and challenges experienced in the implementation of the model. Using a descriptive, qualitative design, we conducted semi-structured interviews, in-person or over the phone, with 12 clinicians and nine key informants involved in implementing the spina bifida transition model. We recruited all 21 participants from an urban area of Ontario, Canada. Clinicians and key informants experienced several enablers and challenges in implementing the spina bifida transition model. Enablers included dedicated leadership, advocacy, funding, inter-agency partnerships, cross-appointed staff and gaps in co-ordinated care to connect youth to adult services. Challenges included gaps in the availability of adult specialty services, limited geographical catchment of adult services, limited engagement of front-line staff, gaps in communication and role clarity. Although the transition model has realized some initial successes, there are still many challenges to overcome in transferring youth with spina bifida to adult health care and transitioning to adulthood. © 2015 John Wiley & Sons Ltd.

Can Tauc plot extrapolation be used for direct-band-gap semiconductor nanocrystals?

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

Feng, Y., E-mail: yu.feng@unsw.edu.au; Lin, S.; Huang, S.

Despite that Tauc plot extrapolation has been widely adopted for extracting bandgap energies of semiconductors, there is a lack of theoretical support for applying it to nanocrystals. In this paper, direct-allowed optical transitions in semiconductor nanocrystals have been formulated based on a purely theoretical approach. This result reveals a size-dependant transition of the power factor used in Tauc plot, increasing from one half used in the 3D bulk case to one in the 0D case. This size-dependant intermediate value of power factor allows a better extrapolation of measured absorption data. Being a material characterization technique, the generalized Tauc extrapolation givesmore » a more reasonable and accurate acquisition of the intrinsic bandgap, while the unjustified purpose of extrapolating any elevated bandgap caused by quantum confinement is shown to be incorrect.« less

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

Han, Fei; Liu, Huimei; Malliakas, Christos D.

The new bismuth chalcogenide LaBiS3 crystallizes in the monoclinic space group C2/m with a = 27.997(5) Å, b = 4.0663(4) Å, c = 14.747(3) Å, and β = 118.55(3)°. The structure of LaBiS3 is built up of NaCl-type Bi2S5 blocks, and BiS4 and LaS5 infinitely long chains forming a compact three-dimensional framework. Optical spectroscopy and resistivity measurements reveal a semiconducting behavior with a direct band gap of 1.08(2) eV and activation energy of 0.36(1) eV. Thermopower measurements suggest the majority carriers of LaBiS3 are electrons. Heat capacity measurement indicates no phase transition from 2 to 300 K. Band structure calculationsmore » at the density function level support the presence of a direct band gap in LaBiS3.« less

Modifications of the optical properties for DAM-ADC nuclear track detector exposed to alpha particles

NASA Astrophysics Data System (ADS)

Rammah, Y. S.; Awad, E. M.

2018-05-01

Modifications of the optical properties of diallyl maleate-allyl diglycol carbonate (DAM-ADC) nuclear detector induced by alpha particles are described. DAM-ADC samples were irradiated perpendicularly by thin 241Am disk source that emits alpha particles with 5.48 MeV. The optical absorption has been measured using the ultraviolet-visible (UV-1100) spectroscopy. It was found that DAM-ADC polymer shows substantial modifications in its optical characteristics upon irradiated with alpha particles with different energies. The optical energy band gap (Egap) for the detector was calculated for the direct and the indirect allowed transitions in K-space using two approaches (Tauc's model and absorption spectrum fitting (ASF) method). Urbach's energy (Ea), number of carbon atoms per conjugated length (N), number of carbon atoms per cluster (M), and refractive index (n) for the present samples were determined. Results reveal that the values of energy gap in direct transition are greater than those of indirect, before and after irradiation. (Egap), (Ea), (N), (M), and (n) of the present samples are changed significantly with irradiation time and value of alpha energy. Results reflect the possibility of using DAM-ADC polymer track detectors to estimate alpha particle energies using the variation of the absorbance.

Pre-test CFD Calculations for a Bypass Flow Standard Problem

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

Rich Johnson

The bypass flow in a prismatic high temperature gas-cooled reactor (HTGR) is the flow that occurs between adjacent graphite blocks. Gaps exist between blocks due to variances in their manufacture and installation and because of the expansion and shrinkage of the blocks from heating and irradiation. Although the temperature of fuel compacts and graphite is sensitive to the presence of bypass flow, there is great uncertainty in the level and effects of the bypass flow. The Next Generation Nuclear Plant (NGNP) program at the Idaho National Laboratory has undertaken to produce experimental data of isothermal bypass flow between three adjacentmore » graphite blocks. These data are intended to provide validation for computational fluid dynamic (CFD) analyses of the bypass flow. Such validation data sets are called Standard Problems in the nuclear safety analysis field. Details of the experimental apparatus as well as several pre-test calculations of the bypass flow are provided. Pre-test calculations are useful in examining the nature of the flow and to see if there are any problems associated with the flow and its measurement. The apparatus is designed to be able to provide three different gap widths in the vertical direction (the direction of the normal coolant flow) and two gap widths in the horizontal direction. It is expected that the vertical bypass flow will range from laminar to transitional to turbulent flow for the different gap widths that will be available.« less

Structural and electro-optical properties of bilayer graphyne like BN sheet

NASA Astrophysics Data System (ADS)

Behzad, Somayeh

2016-12-01

The structural, electronic and optical properties of bilayer graphyne like BN sheet (BNyne) with different stacking manners have been explored by the first-principles calculations. The stabilities of α-BNyne bilayers with different stacking manners are compared. The α-BNyne Bilayers have wide band gaps. Compared to the single α-BNyne, the numbers of energy bands are doubled due to the interlayer interactions and the band gap is reduced. The AB-I configuration has a direct band gap while the band gap becomes indirect for AA-II. The calculated ε2 (ω) of bilayer α-BNyne for (Eǁx) is similar to that of the monolayer α-BNyne, except for the small changes of peak positions and increasing of peak intensities. For (Eǁz), the first absorption peak occures at 3.86 eV, and the prominant peak of monolayer at 9.17 eV becomes broadened. These changes are related to the new transitions resulting from the band splitting.

Uncertainty relations and topological-band insulator transitions in 2D gapped Dirac materials

NASA Astrophysics Data System (ADS)

Romera, E.; Calixto, M.

2015-05-01

Uncertainty relations are studied for a characterization of topological-band insulator transitions in 2D gapped Dirac materials isostructural with graphene. We show that the relative or Kullback-Leibler entropy in position and momentum spaces, and the standard variance-based uncertainty relation give sharp signatures of topological phase transitions in these systems.

Hidden One-Dimensional Electronic Structure of η-Mo_4O_11

NASA Astrophysics Data System (ADS)

Gweon, G.-H.; Mo, S.-K.; Allen, J. W.; Höchst, H.; Sarrao, J. L.; Fisk, Z.

2002-03-01

η-Mo_4O_11 is a layered metal that undergoes two charge density wave (CDW) transitions at 109 K and 30 K, and is unique in showing a bulk quantum Hall effect. Research so far indicates that this material has a ``hidden one-dimensional'' (hidden-1d) Fermi surface (FS) in the normal state (T > 109 K), whose nesting property drives the 109 K CDW formation. Here, we directly confirm this picture by angle resolved photoemission spectroscopy (ARPES). We also observe a gap opening associated with the 109 K transition. Most interesting, this material shows the same ARPES line shape anomalies that suggest electron fractionalization in other hidden-1d materials like NaMo_6O_17 and KMo_6O_17. Studies of the 30 K transition are in progress.

Low carbon transition and sustainable development path of tourism industry

NASA Astrophysics Data System (ADS)

Zhu, Hongbing; Zhang, Jing; Zhao, Lei; Jin, Shenglang

2017-05-01

The low carbon transition is as much a transformative technology shift as it represents a response to global environment challenges. The low carbon paradigm presents a new direction of change for tourism industry. However, the lack of theoretical frameworks on low carbon transformation in tourism industry context provides a significant knowledge gap. This paper firstly investigates the relationships between low carbon and sustainable development, followed by exploring the existing challenges of tourism sustainable development. At last, this paper presents a sustainable development path framework for low carbon transition of tourism industry, which include accelerating deployment of renewable energy, energy-saving green building construction, improving green growth investment, and adopting a sustainable consumption and production system, in order to promote energy and water efficiency, waste management, GHG emissions mitigation and eventually enhance its sustainability.

Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane

NASA Astrophysics Data System (ADS)

Qi, Jingshan; Li, Xiao; Qian, Xiaofeng

2016-06-01

Electrically controlled band gap and topological electronic states are important for the next-generation topological quantum devices. In this letter, we study the electric field control of band gap and topological phase transitions in multilayer germanane. We find that although the monolayer and multilayer germananes are normal insulators, a vertical electric field can significantly reduce the band gap of multilayer germananes owing to the giant Stark effect. The decrease of band gap eventually leads to band inversion, transforming them into topological insulators with nontrivial Z2 invariant. The electrically controlled topological phase transition in multilayer germananes provides a potential route to manipulate topologically protected edge states and design topological quantum devices. This strategy should be generally applicable to a broad range of materials, including other two-dimensional materials and ultrathin films with controlled growth.

Tunable electronic properties of silicene/GaP heterobilayer: Effects of electric field or biaxial tensile strain

NASA Astrophysics Data System (ADS)

Zhang, Peng; Yang, Xibin; Wu, Wei; Tian, Lifen; Cui, Heping; Zheng, Kai; Jiang, Junke; Chen, Xianping; Ye, Huaiyu

2018-05-01

We systematically investigate the electronic properties the two-dimensional (2D) silicene/GaP heterobilayer by using density functional theory calculations. We find the silicene and GaP monolayer are bounded to each other via orbital hybridization, and the charge redistribution occurring at the silicene/GaP interface leads to the opening of a direct energy band gap of about 0.997 eV in silicene. Importantly, by applying external electric field, the band structure of silicene/GaP heterostructure can be effectively modulated, and a semiconductor-metal transition even emerges. These intriguing properties make the silicene/GaP heterobilayer a promising 2D material for future electronics and strain sensors.

Charge-density-wave partial gap opening in quasi-2D KMo 6O 17 purple bronze studied by angle resolved photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Valbuena, M. A.; Avila, J.; Pantin, V.; Drouard, S.; Guyot, H.; Asensio, M. C.

2006-05-01

Low dimensional (LD) metallic oxides have been a subject of continuous interest in the last two decades, mainly due to the electronic instabilities that they present at low temperatures. In particular, charge density waves (CDW) instabilities associated with a strong electron-phonon interaction have been found in Molybdenum metallic oxides such as KMo 6O 17 purple bronze. We report an angle resolved photoemission (ARPES) study from room temperature (RT) to T ˜40 K well below the Peierls transition temperature for this material, with CDW transition temperature TCDW ˜120 K. We have focused on photoemission spectra along ΓM high symmetry direction as well as photoemission measurements were taken as a function of temperature at one representative kF point in the Brillouin zone in order to look for the characteristic gap opening after the phase transition. We found out a pseudogap opening and a decrease in the density of states near the Fermi energy, EF, consistent with the partial removal of the nested portions of the Fermi surface (FS) at temperature below the CDW transition. In order to elucidate possible Fermi liquid (FL) or non-Fermi liquid (NFL) behaviour we have compared the ARPES data with that one reported on quasi-1D K 0.3MoO 3 blue bronze.

Wafer-scale growth of VO2 thin films using a combinatorial approach

PubMed Central

Zhang, Hai-Tian; Zhang, Lei; Mukherjee, Debangshu; Zheng, Yuan-Xia; Haislmaier, Ryan C.; Alem, Nasim; Engel-Herbert, Roman

2015-01-01

Transition metal oxides offer functional properties beyond conventional semiconductors. Bridging the gap between the fundamental research frontier in oxide electronics and their realization in commercial devices demands a wafer-scale growth approach for high-quality transition metal oxide thin films. Such a method requires excellent control over the transition metal valence state to avoid performance deterioration, which has been proved challenging. Here we present a scalable growth approach that enables a precise valence state control. By creating an oxygen activity gradient across the wafer, a continuous valence state library is established to directly identify the optimal growth condition. Single-crystalline VO2 thin films have been grown on wafer scale, exhibiting more than four orders of magnitude change in resistivity across the metal-to-insulator transition. It is demonstrated that ‘electronic grade' transition metal oxide films can be realized on a large scale using a combinatorial growth approach, which can be extended to other multivalent oxide systems. PMID:26450653

Imaging metal-like monoclinic phase stabilized by surface coordination effect in vanadium dioxide nanobeam

PubMed Central

Li, Zejun; Wu, Jiajing; Hu, Zhenpeng; Lin, Yue; Chen, Qi; Guo, Yuqiao; Liu, Yuhua; Zhao, Yingcheng; Peng, Jing; Chu, Wangsheng; Wu, Changzheng; Xie, Yi

2017-01-01

In correlated systems, intermediate states usually appear transiently across phase transitions even at the femtosecond scale. It therefore remains an open question how to determine these intermediate states—a critical issue for understanding the origin of their correlated behaviour. Here we report a surface coordination route to successfully stabilize and directly image an intermediate state in the metal-insulator transition of vanadium dioxide. As a prototype metal-insulator transition material, we capture an unusual metal-like monoclinic phase at room temperature that has long been predicted. Coordinate bonding of L-ascorbic acid molecules with vanadium dioxide nanobeams induces charge-carrier density reorganization and stabilizes metallic monoclinic vanadium dioxide, unravelling orbital-selective Mott correlation for gap opening of the vanadium dioxide metal–insulator transition. Our study contributes to completing phase-evolution pathways in the metal-insulator transition process, and we anticipate that coordination chemistry may be a powerful tool for engineering properties of low-dimensional correlated solids. PMID:28613281

Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane

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

Qi, Jingshan, E-mail: qijingshan@jsnu.edu.cn, E-mail: feng@tamu.edu; Li, Xiao; Qian, Xiaofeng, E-mail: qijingshan@jsnu.edu.cn, E-mail: feng@tamu.edu

2016-06-20

Electrically controlled band gap and topological electronic states are important for the next-generation topological quantum devices. In this letter, we study the electric field control of band gap and topological phase transitions in multilayer germanane. We find that although the monolayer and multilayer germananes are normal insulators, a vertical electric field can significantly reduce the band gap of multilayer germananes owing to the giant Stark effect. The decrease of band gap eventually leads to band inversion, transforming them into topological insulators with nontrivial Z{sub 2} invariant. The electrically controlled topological phase transition in multilayer germananes provides a potential route tomore » manipulate topologically protected edge states and design topological quantum devices. This strategy should be generally applicable to a broad range of materials, including other two-dimensional materials and ultrathin films with controlled growth.« less

Pressure-Induced Structural Transition and Enhancement of Energy Gap of CuAlO2

NASA Astrophysics Data System (ADS)

Nakanishi, Akitaka

2011-02-01

By using first-principles calculations, we studied the stable crystal structures and energy gaps of CuAlO2 under high pressure. Our simulation shows that CuAlO2 transforms from a delafossite structure to a leaning delafossite structure. The critical pressure of the transition was determined to be 60 GPa. The energy gap of CuAlO2 increases through the structural transition due to the enhanced covalency of Cu 3d and O 2p states. We found that a chalcopyrite structure does not appear as a stable structure under high pressure.

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

Kim, K. H.; Watson, Dan M.; Manoj, P.

We present 5-40 {mu}m Spitzer Infrared Spectrograph spectra of a collection of transitional disks, objects for which the spectral energy distribution (SED) indicates central clearings (holes) or gaps in the dust distribution, in the Chamaeleon I star-forming region. Like their counterparts in the Taurus-Auriga star-forming region that we have previously observed, the spectra of these young objects (1-3 Myr old) reveal that the central clearings or gaps are very sharp-edged, and are surrounded by optically thick dusty disks similar to those around other classical T Tauri stars in the Chamaeleon I association. Also like the Taurus transitional disks, the Chamaeleonmore » I transitional disks have extremely large depletion factors for small dust grains in their gaps, compared to the full accretion disks whose SEDs are represented by the median SED of Class II objects in the region. We find that the fraction of transitional disks in the Chamaeleon I cloud is somewhat higher than that in the Taurus-Auriga cloud, possibly indicating that the frequency of transitional disks, on average, increases with cluster age. We also find a significant correlation between the stellar mass and the radius of the outer edge of the gap. We discuss the disk structures implied by the spectra and the constraints they place on gap-formation mechanisms in protoplanetary disks.« less

Steady state and time resolved optical characterization studies of Zn 2SnO 4 nanowires for solar cell applications

DOE PAGES

Yakami, Baichhabi R.; Poudyal, Uma; Nandyala, Shashank R.; ...

2016-10-25

Nanowires are a promising option for sensitized solar cells, sensors, and display technology. Most of the work thus far has focused on binary oxides for these nanowires, but ternary oxides have advantages in additional control of optical and electronic properties. Here, we report on the diffuse reflectance, Low Temperature and Room Temperature Photoluminescence (PL), PL excitation spectrum, and Time Resolved PL (TRPL) of Zinc Tin Oxide (ZTO) nanowires grown by Chemical Vapor Deposition. The PL from the ZTO nanowires does not exhibit any band gap or near gap emission, and the diffuse reflectance measurement confirms that these ZTO nanowires havemore » a direct forbidden transition. The broad PL spectrum reveals two Gaussian peaks centered at 1.86 eV (red) and 2.81 eV (blue), representing two distinct defect states or complexes. The PL spectra were further studied by the Time Resolved Emission Spectrum and intensity dependent PL and TRPL. The time resolved measurements show complex non-exponential decays at all wavelengths, indicative of defect to defect transitions, and the red emissive states decay much slower than the blue emissive states. The effects of annealing in air and vacuum are studied to investigate the origin of the defect states in the nanowires, showing that the blue states are related to oxygen vacancies. We propose an energy band model for the nanowires containing defect states within the band gap and the associated transitions between these states that are consistent with our measurements.« less

Steady state and time resolved optical characterization studies of Zn 2SnO 4 nanowires for solar cell applications

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

Yakami, Baichhabi R.; Poudyal, Uma; Nandyala, Shashank R.

Nanowires are a promising option for sensitized solar cells, sensors, and display technology. Most of the work thus far has focused on binary oxides for these nanowires, but ternary oxides have advantages in additional control of optical and electronic properties. Here, we report on the diffuse reflectance, Low Temperature and Room Temperature Photoluminescence (PL), PL excitation spectrum, and Time Resolved PL (TRPL) of Zinc Tin Oxide (ZTO) nanowires grown by Chemical Vapor Deposition. The PL from the ZTO nanowires does not exhibit any band gap or near gap emission, and the diffuse reflectance measurement confirms that these ZTO nanowires havemore » a direct forbidden transition. The broad PL spectrum reveals two Gaussian peaks centered at 1.86 eV (red) and 2.81 eV (blue), representing two distinct defect states or complexes. The PL spectra were further studied by the Time Resolved Emission Spectrum and intensity dependent PL and TRPL. The time resolved measurements show complex non-exponential decays at all wavelengths, indicative of defect to defect transitions, and the red emissive states decay much slower than the blue emissive states. The effects of annealing in air and vacuum are studied to investigate the origin of the defect states in the nanowires, showing that the blue states are related to oxygen vacancies. We propose an energy band model for the nanowires containing defect states within the band gap and the associated transitions between these states that are consistent with our measurements.« less

Computational and Theoretical Investigations of Strongly Correlated Fermions in Optical Lattices

DTIC Science & Technology

2013-08-29

and two-particle spectral functions across the disorder - driven superconductor - insulator transition". 22. Invited speaker, \\Fermions in Optical...energy gaps across the disorder - driven superconductor - insulator transition", October 7, 2010, Harvard. 27. Seminar on \\Probing Quantum Phases of...Perimeter Institute, November 14, 2011. 37. Seminar on \\Single and two-particle energy gaps across the disorder - driven superconductor - insulator transition

Nonlinear hydrodynamic stability and transition; Proceedings of the IUTAM Symposium, Nice, France, Sept. 3-7, 1990

NASA Astrophysics Data System (ADS)

Theoretical and experimental research on nonlinear hydrodynamic stability and transition is presented. Bifurcations, amplitude equations, pattern in experiments, and shear flows are considered. Particular attention is given to bifurcations of plane viscous fluid flow and transition to turbulence, chaotic traveling wave covection, chaotic behavior of parametrically excited surface waves in square geometry, amplitude analysis of the Swift-Hohenberg equation, traveling wave convection in finite containers, focus instability in axisymmetric Rayleigh-Benard convection, scaling and pattern formation in flowing sand, dynamical behavior of instabilities in spherical gap flows, and nonlinear short-wavelength Taylor vortices. Also discussed are stability of a flow past a two-dimensional grid, inertia wave breakdown in a precessing fluid, flow-induced instabilities in directional solidification, structure and dynamical properties of convection in binary fluid mixtures, and instability competition for convecting superfluid mixtures.

Translational Symmetry Breaking and Gapping of Heavy-Quasiparticle Pocket in URu2Si2

PubMed Central

Yoshida, Rikiya; Tsubota, Koji; Ishiga, Toshihiko; Sunagawa, Masanori; Sonoyama, Jyunki; Aoki, Dai; Flouquet, Jacques; Wakita, Takanori; Muraoka, Yuji; Yokoya, Takayoshi

2013-01-01

URu2Si2 is a uranium compound that exhibits a so-called ‘hidden-order’ transition at ~17.5 K. However, the order parameter of this second-order transition as well as many of its microscopic properties remain unclarified despite considerable research. One of the key questions in this regard concerns the type of spontaneous symmetry breaking occurring at the transition; although rotational symmetry breaking has been detected, it is not clear whether another type of symmetry breaking also occurs. Another key question concerns the property of Fermi-surface gapping in the momentum space. Here we address these key questions by a momentum-dependent observation of electronic states at the transition employing ultrahigh-resolution three-dimensional angle-resolved photoemission spectroscopy. Our results provide compelling evidence of the spontaneous breaking of the lattice's translational symmetry and particle-hole asymmetric gapping of a heavy quasiparticle pocket at the transition. PMID:24084937

Groundlayer vegetation gradients across oak woodland canopy gaps

USGS Publications Warehouse

Pavlovic, N.B.; Grundel, R.; Sluis, W.

2006-01-01

Frequency of groundlayer plants was measured across oak woodland canopy gaps at three sites in northwest Indiana to examine how vegetation varied with gap size, direction along the gap edge, and microhabitat. Microhabitats were defined as under the canopy adjacent to the gap, along the gap edge, and within the gap. Gap-sites consisted of gaps plus adjacent tree canopy. Gaps were classified as small (16 ± 1 m2), medium (97 ± 8), and large (310 ± 32). Neither richness nor diversity differed among microhabitats, gap sizes, or edges. Similarity between microhabitats wthin a gap-site increased as the distance between plots decreased and as the difference in PAR decreased, the latter explaining twice the variation in percent dissimilarity compared to Mg concentration, A horizon depth, and litter cover. Diervilla lonicera, Frageria virginiana, Helianthus divaricatus, Polygonatum pubescens, Quercus velutina, Smilacena stellata, and Tradescantia ohiensis decreased, whileTephrosia virginiana and legumes increased in frequency, from canopy to gap, and C4 grasses peaked at the gap edge, independent of gap size. Additional species frequency varied across the microhabitat gradient within specific sites. Sorghastrum nutans was three times more frequent in gaps at large sites than elsewhere. The vegetation in medium-sized gap-sites was more variable than within small and large gap-sites, suggesting greater environmental heterogeneity at that scale. Within gap-sites, vegetation was more heterogeneous within edges and canopies than in gaps. Edges were more similar in composition to gaps than to canopy groundlayer within gap-sites. Few species varied significantly in frequency around the gap edge. The oak woodland groundlayer on sandy substrates can be characterized as a mosaic of forb dominated vegetation that varies across light gradients associated with canopy gaps, transitioning to islands of grassland vegetation when gaps exceed 160 m2.

New estimates of gaps and transitions in health insurance.

PubMed

Short, Pamela Farley; Graefe, Deborah R; Swartz, Katherine; Uberoi, Namrata

2012-12-01

Changes in individual or family circumstances cause many Americans to experience gaps and transitions in public and private health insurance. Using data from the 2004-2007 Survey of Income and Program Participation, this article updates earlier analyses of insurance gaps and transitions. Eighty-nine million people (one third of nonelderly Americans) were uninsured for at least 1 month during those 4 years. Approximately 23 million lost insurance more than once. The analyses call attention to the continuing instability and insecurity of health insurance, can inform implementation of national reforms, and establish a recent baseline that will be helpful in evaluating the reforms' effects on coverage stability.

Bulk β-Te to few layered β-tellurenes: indirect to direct band-Gap transitions showing semiconducting property

NASA Astrophysics Data System (ADS)

Wu, Bozhao; Liu, Xinghui; Yin, Jiuren; Lee, Hyoyoung

2017-09-01

Herein we report a prediction of a highly kinetic stable layered structure of tellurium (namely, bulk β-Te), which is similar to these layered bulk materials such as graphite, black phosphorus, and gray arsenic. Bulk β-Te turns out to be a semiconductor that has a band gap of 0.325 eV (HSE06: 0.605 eV), based on first-principles calculations. Moreover, the single-layer form of the bulk β-Te, called β-tellurene, is predicted to have a high stability. When the bulk β-Te is thinned to one atomic layer, an indirect semiconductor of band gap is changed to 1.265 eV (HSE06: 1.932 eV) with a very high kinetic stability. Interestingly, an increase of the number of the β-tellurene layers from one to three is accompanied by a shift from an indirect to direct band gap. Furthermore, the effective carrier masses, the optical properties and phonon modes of few-layer β-tellurenes are characterized. Few-layer β-tellurenes strongly absorb the ultraviolet and blue-violet visible lights. The dramatic changes in the electronic structure and excellent photo absorptivities are expected to pave the way for high speed ultrathin transistors, as well as optoelectronic devices working in the UV or blue-green visible regions.

Gap Filler Induced Transition on the Mars Science Laboratory Heatshield

NASA Technical Reports Server (NTRS)

Yoon, Seokkwan; Barnhardt, Michael D.; Tang, Chun Y.; Sozer, Emre; Candler, Graham

2012-01-01

Detached Eddy Simulations have been performed to investigate the effects of high-fidelity turbulence modeling on roughness-induced transition to turbulence during Mars entry. Chemically reacting flow solutions will be obtained for a gap filler of Mars Science Laboratory at the peak heating condition.

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

PubMed

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

2017-07-06

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

Effect of geometric nanostructures on the absorption edges of 1-D and 2-D TiO₂ fabricated by atomic layer deposition.

PubMed

Chang, Yung-Huang; Liu, Chien-Min; Cheng, Hsyi-En; Chen, Chih

2013-05-01

2-Dimensional (2-D) TiO2 thin films and 1-dimensional (1-D) TiO2 nanotube arrays were fabricated on Si and quartz substrates using atomic layer deposition (ALD) with an anodic aluminum oxide (AAO) template at 400 °C. The film thickness and the tube wall thickness can be precisely controlled using the ALD approach. The intensities of the absorption spectra were enhanced by an increase in the thickness of the TiO2 thin film and tube walls. A blue-shift was observed for a decrease in the 1-D and 2-D TiO2 nanostructure thicknesses, indicating a change in the energy band gap with the change in the size of the TiO2 nanostructures. Indirect and direct interband transitions were used to investigate the change in the energy band gap. The results indicate that both quantum confinement and interband transitions should be considered when the sizes of 1-D and 2-D TiO2 nanostructures are less than 10 nm.

Tuning Coupling Behavior of Stacked Heterostructures Based on MoS2, WS2, and WSe2

PubMed Central

Wang, Fang; Wang, Junyong; Guo, Shuang; Zhang, Jinzhong; Hu, Zhigao; Chu, Junhao

2017-01-01

The interlayer interaction of vertically stacked heterojunctions is very sensitive to the interlayer spacing, which will affect the coupling between the monolayers and allow band structure modulation. Here, with the aid of density functional theory (DFT) calculations, an interesting phenomenon is found that MoS2-WS2, MoS2-WSe2, and WS2-WSe2 heterostructures turn into direct-gap semiconductors from indirect-gap semiconductors with increasing the interlayer space. Moreover, the electronic structure changing process with interlayer spacing of MoS2-WS2, MoS2-WSe2, and WS2-WSe2 is different from each other. With the help of variable-temperature spectral experiment, different electronic transition properties of MoS2-WS2, MoS2-WSe2, and WS2-WSe2 have been demonstrated. The transition transformation from indirect to direct can be only observed in the MoS2-WS2 heterostructure, as the valence band maximum (VBM) at the Γ point in the MoS2-WSe2 and WS2-WSe2 heterostructure is less sensitive to the interlayer spacing than those from the MoS2-WS2 heterostructure. The present work highlights the significance of the temperature tuning in interlayer coupling and advance the research of MoS2-WS2, MoS2-WSe2, and WS2-WSe2 based device applications. PMID:28303932

Radiative, nonradiative, and mixed-decay transitions of rare-earth ions in dielectric media

NASA Astrophysics Data System (ADS)

Burshtein, Zeev

2010-09-01

We present and discuss in a comprehensive, deductive, and simplified manner, issues of nonradiative transitions involvement in fluorescence of ions embedded in dielectric solid matrices. The semiclassical approach is favored over a full quantum description, and empiric quantities are introduced from the start. One issue is nonradiative single-phonon transitions when the energy gap between the adjacent electronic ion states is smaller than the cutoff matrix phonon energy. Another issue is transitions in a complex energy scheme, where some visible and near-visible transitions are radiative and others are nonradiative. A refined Füchtbauer-Ladenburg recipe for calculation of the stimulated emission spectrum on the basis of measurable absorption and fluorescence emission spectra is worked out. The last issue is multiphonon nonradiative transitions occurring when the energy gap between adjacent electronic ion states is larger than the cutoff matrix phonon energy. Transition probabilities were calculated on the basis of anharmonicity of the effective potential supporting the internal atomic basis vibrations. An expression in a closed form is obtained, similar to the empiric ``energy gap'' law, however, with parameters related to specific host material properties and the actual transition in the ion. Comparison to existing experimental evidence is presented and discussed in detail.

Inter-band optoelectronic properties in quantum dot structure of low band gap III-V semiconductors

NASA Astrophysics Data System (ADS)

Dey, Anup; Maiti, Biswajit; Chanda Sarkar, Debasree

2014-04-01

A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k→) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg1-xCdxTe, and In1-xGaxAsyP1-y lattice matched to InP, as example of III-V compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors.

Visualizing heavy fermion confinement and Pauli-limited superconductivity in layered CeCoIn 5

DOE PAGES

Gyenis, András; Feldman, Benjamin E.; Randeria, Mallika T.; ...

2018-02-07

Layered material structures play a key role in enhancing electron–electron interactions to create correlated metallic phases that can transform into unconventional superconducting states. The quasi-two-dimensional electronic properties of such compounds are often inferred indirectly through examination of bulk properties. Here we use scanning tunneling microscopy to directly probe in cross-section the quasi-two-dimensional electronic states of the heavy fermion superconductor CeCoIn 5. Our measurements reveal the strong confined nature of quasiparticles, anisotropy of tunneling characteristics, and layer-by-layer modulated behavior of the precursor pseudogap gap phase. In the interlayer coupled superconducting state, the orientation of line defects relative to the d-wave ordermore » parameter determines whether in-gap states form due to scattering. Spectroscopic imaging of the anisotropic magnetic vortex cores directly characterizes the short interlayer superconducting coherence length and shows an electronic phase separation near the upper critical in-plane magnetic field, consistent with a Pauli-limited first-order phase transition into a pseudogap phase.« less

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

Gyenis, András; Feldman, Benjamin E.; Randeria, Mallika T.

Layered material structures play a key role in enhancing electron–electron interactions to create correlated metallic phases that can transform into unconventional superconducting states. The quasi-two-dimensional electronic properties of such compounds are often inferred indirectly through examination of bulk properties. Here we use scanning tunneling microscopy to directly probe in cross-section the quasi-two-dimensional electronic states of the heavy fermion superconductor CeCoIn 5. Our measurements reveal the strong confined nature of quasiparticles, anisotropy of tunneling characteristics, and layer-by-layer modulated behavior of the precursor pseudogap gap phase. In the interlayer coupled superconducting state, the orientation of line defects relative to the d-wave ordermore » parameter determines whether in-gap states form due to scattering. Spectroscopic imaging of the anisotropic magnetic vortex cores directly characterizes the short interlayer superconducting coherence length and shows an electronic phase separation near the upper critical in-plane magnetic field, consistent with a Pauli-limited first-order phase transition into a pseudogap phase.« less

Transitions between corona, glow, and spark regimes of nanosecond repetitively pulsed discharges in air at atmospheric pressure

NASA Astrophysics Data System (ADS)

Pai, David Z.; Lacoste, Deanna A.; Laux, Christophe O.

2010-05-01

In atmospheric pressure air preheated from 300 to 1000 K, the nanosecond repetitively pulsed (NRP) method has been used to generate corona, glow, and spark discharges. Experiments have been performed to determine the parameter space (applied voltage, pulse repetition frequency, ambient gas temperature, and interelectrode gap distance) of each discharge regime. In particular, the experimental conditions necessary for the glow regime of NRP discharges have been determined, with the notable result that there exists a minimum and maximum gap distance for its existence at a given ambient gas temperature. The minimum gap distance increases with decreasing gas temperature, whereas the maximum does not vary appreciably. To explain the experimental results, an analytical model is developed to explain the corona-to-glow (C-G) and glow-to-spark (G-S) transitions. The C-G transition is analyzed in terms of the avalanche-to-streamer transition and the breakdown field during the conduction phase following the establishment of a conducting channel across the discharge gap. The G-S transition is determined by the thermal ionization instability, and we show analytically that this transition occurs at a certain reduced electric field for the NRP discharges studied here. This model shows that the electrode geometry plays an important role in the existence of the NRP glow regime at a given gas temperature. We derive a criterion for the existence of the NRP glow regime as a function of the ambient gas temperature, pulse repetition frequency, electrode radius of curvature, and interelectrode gap distance.

Direct Evidence for Delocalization of Charge Carriers at the Fermi Level in a Doped Conducting Polymer

NASA Astrophysics Data System (ADS)

Zhuo, Jing-Mei; Zhao, Li-Hong; Chia, Perq-Jon; Sim, Wee-Sun; Friend, Richard H.; Ho, Peter K. H.

2008-05-01

The infrared absorption spectrum of the polaron charges at the Fermi level EF in a heavily p-doped conducting poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonic acid) film has been measured using interferogram-modulated Fourier-transform charge-modulation spectroscopy. The spectrum indicates softer phonons and weaker electron-phonon coupling riding on a strongly redshifted Drude-like electronic transition, different from the population-averaged “bulk” spectrum. This provides direct evidence that the EF holes are sufficiently delocalized even in such disordered materials to reside in an energy continuum (band states) while the rest of the hole population resides in self-localized gap states.

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

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Cryogenic gamma detectors enable direct detection of 236U and minor actinides for non-destructive assay [Cryogenic gamma detectors enable direct detection of minor actinides for non-destructive assay

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

Velazquez, Miguel; Dreyer, Jonathan; Drury, Owen B.

2015-09-05

Here, we demonstrate the utility of a superconducting transition edge sensor (TES) γ-ray detector with high energy resolution and low Compton background for non-destructive assay (NDA) of a uranium sample from reprocessed nuclear fuel. We show that TES γ-detectors can separate low energy actinide γ-emissions from the background and nearby lines, even from minor isotopes whose signals are often obscured in NDA with conventional Ge detectors. Superconducting γ detectors may therefore bridge the gap between high-accuracy destructive assay (DA) and easier to-use NDA.

New Estimates of Gaps and Transitions in Health Insurance

PubMed Central

Short, Pamela Farley; Graefe, Deborah R.; Swartz, Katherine; Uberoi, Namrata

2014-01-01

Changes in individual or family circumstances cause many Americans to experience gaps and transitions in public and private health insurance. Using data from the 2004–2007 Survey of Income and Program Participation, this article updates earlier analyses of insurance gaps and transitions. Eighty-nine million people (one third of non-elderly Americans) were uninsured for at least one month during those four years. Approximately twenty-three million lost insurance more than once. The analyses call attention to the continuing instability and insecurity of health insurance, can inform implementation of national reforms, and establish a recent baseline that will be helpful in evaluating the reforms’ effects on coverage stability. PMID:22833452

TRANSITIONAL DISKS AND THEIR ORIGINS: AN INFRARED SPECTROSCOPIC SURVEY OF ORION A

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

Kim, K. H.; Watson, Dan M.; Manoj, P.

Transitional disks are protoplanetary disks around young stars, with inner holes or gaps which are surrounded by optically thick outer, and often inner, disks. Here we present observations of 62 new transitional disks in the Orion A star-forming region. These were identified using the Spitzer Space Telescope's Infrared Spectrograph and followed up with determinations of stellar and accretion parameters using the Infrared Telescope Facility's SpeX. We combine these new observations with our previous results on transitional disks in Taurus, Chamaeleon I, Ophiuchus, and Perseus, and with archival X-ray observations. This produces a sample of 105 transitional disks of ''cluster'' agemore » 3 Myr or less, by far the largest hitherto assembled. We use this sample to search for trends between the radial structure in the disks and many other system properties, in order to place constraints on the possible origins of transitional disks. We see a clear progression of host-star accretion rate and the different disk morphologies. We confirm that transitional disks with complete central clearings have median accretion rates an order of magnitude smaller than radially continuous disks of the same population. Pre-transitional disks-those objects with gaps that separate inner and outer disks-have median accretion rates intermediate between the two. Our results from the search for statistically significant trends, especially related to M-dot , strongly support that in both cases the gaps are far more likely to be due to the gravitational influence of Jovian planets or brown dwarfs orbiting within the gaps, than to any of the photoevaporative, turbulent, or grain-growth processes that can lead to disk dissipation. We also find that the fraction of Class II YSOs which are transitional disks is large, 0.1-0.2, especially in the youngest associations.« less

Comparison of the optical responses of O-poor and O-rich thermochromic VOX films during semiconductor-to-metal transition

NASA Astrophysics Data System (ADS)

Luo, Zhenfei; Wu, Zhiming; Wang, Tao; Xu, Xiangdong; Li, Weizhi; Li, Wei; Jiang, Yadong

2012-09-01

O-poor and O-rich thermochromic vanadium oxide (VOX) nanostructured thin films were prepared by applying reactive direct current magnetron sputtering and post-annealing in oxygen ambient. UV-visible spectrophotometer and spectroscopic ellipsometry were used to investigate the optical properties of films. It was found that, when the O-poor VOX thin film underwent semiconductor-to-metal transition, the values of optical conductivity and extinction coefficient in the visible region increased due to the existence of occupied band-gap states. This noticeable feature, however, was not observed for the O-rich film, which showed a similar optical behavior with the stoichiometric crystalline VO2 films reported in the literatures. Moreover, the O-poor VOX film exhibits consistent variations of transmission values in the visible/near-infrared region when it undergoes semiconductor-to-metal transition.

Effect of high pressure on the electrical resistivity of Ge-Te-In glasses

NASA Astrophysics Data System (ADS)

Prasad, K. N. N.; Varma, G. Sreevidya; Rukmani, K.; Asokan, S.

2015-06-01

The variation in the electrical resistivity of the chalcogenide glasses Ge15Te85-xInx has been studied as a function of high pressure for pressures up to 8.5GPa. All the samples studied undergo a semi-conductor to metallic transition in a continuous manner at pressures between 1.5-2.5GPa. The transition pressure at which the samples turn metallic increases with increase in percentage of Indium. This increase is a direct consequence of the increase in network rigidity with the addition of Indium. At a constant pressure of 0.5GPa, the normalized resistivity shows some signature of the existence of the intermediate phase. Samples recovered after a pressure cycle remain amorphous suggesting that the semi-conductor to metallic transition arises from a reduction of the band gap due to pressure or the movement of the Fermi level into the conduction or valence band.

Two-dimensional transition metal dichalcogenides as atomically thin semiconductors: opportunities and challenges.

PubMed

Duan, Xidong; Wang, Chen; Pan, Anlian; Yu, Ruqin; Duan, Xiangfeng

2015-12-21

The discovery of graphene has ignited intensive interest in two-dimensional layered materials (2DLMs). These 2DLMs represent a new class of nearly ideal 2D material systems for exploring fundamental chemistry and physics at the limit of single-atom thickness, and have the potential to open up totally new technological opportunities beyond the reach of existing materials. In general, there are a wide range of 2DLMs in which the atomic layers are weakly bonded together by van der Waals interactions and can be isolated into single or few-layer nanosheets. The van der Waals interactions between neighboring atomic layers could allow much more flexible integration of distinct materials to nearly arbitrarily combine and control different properties at the atomic scale. The transition metal dichalcogenides (TMDs) (e.g., MoS2, WSe2) represent a large family of layered materials, many of which exhibit tunable band gaps that can undergo a transition from an indirect band gap in bulk crystals to a direct band gap in monolayer nanosheets. These 2D-TMDs have thus emerged as an exciting class of atomically thin semiconductors for a new generation of electronic and optoelectronic devices. Recent studies have shown exciting potential of these atomically thin semiconductors, including the demonstration of atomically thin transistors, a new design of vertical transistors, as well as new types of optoelectronic devices such as tunable photovoltaic devices and light emitting devices. In parallel, there have also been considerable efforts in developing diverse synthetic approaches for the rational growth of various forms of 2D materials with precisely controlled chemical composition, physical dimension, and heterostructure interface. Here we review the recent efforts, progress, opportunities and challenges in exploring the layered TMDs as a new class of atomically thin semiconductors.

Temperature Dependence of Interband Transitions in Wurtzite InP Nanowires.

PubMed

Zilli, Attilio; De Luca, Marta; Tedeschi, Davide; Fonseka, H Aruni; Miriametro, Antonio; Tan, Hark Hoe; Jagadish, Chennupati; Capizzi, Mario; Polimeni, Antonio

2015-04-28

Semiconductor nanowires (NWs) formed by non-nitride III-V compounds grow preferentially with wurtzite (WZ) lattice. This is contrary to bulk and two-dimensional layers of the same compounds, where only zincblende (ZB) is observed. The absorption spectrum of WZ materials differs largely from their ZB counterparts and shows three transitions, referred to as A, B, and C in order of increasing energy, involving the minimum of the conduction band and different critical points of the valence band. In this work, we determine the temperature dependence (T = 10-310 K) of the energy of transitions A, B, and C in ensembles of WZ InP NWs by photoluminescence (PL) and PL excitation (PLE) spectroscopy. For the whole temperature and energy ranges investigated, the PL and PLE spectra are quantitatively reproduced by a theoretical model taking into account contribution from both exciton and continuum states. WZ InP is found to behave very similarly to wide band gap III-nitrides and II-VI compounds, where the energy of A, B, and C displays the same temperature dependence. This finding unveils a general feature of the thermal properties of WZ materials that holds regardless of the bond polarity and energy gap of the crystal. Furthermore, no differences are observed in the temperature dependence of the fundamental band gap energy in WZ InP NWs and ZB InP (both NWs and bulk). This result points to a negligible role played by the WZ/ZB differences in determining the deformation potentials and the extent of the electron-phonon interaction that is a direct consequence of the similar nearest neighbor arrangement in the two lattices.

Engineering an Insulating Ferroelectric Superlattice with a Tunable Band Gap from Metallic Components

DOE PAGES

Ghosh, Saurabh; Borisevich, Albina Y.; Pantelides, Sokrates T.

2017-10-25

The recent discovery of “polar metals” with ferroelectriclike displacements offers the promise of designing ferroelectrics with tunable energy gaps by inducing controlled metal-insulator transitions. Here in this work, we employ first-principles calculations to design a metallic polar superlattice from nonpolar metal components and show that controlled intermixing can lead to a true insulating ferroelectric with a tunable band gap. We consider a 2/2 superlattice made of two centrosymmetric metallic oxides, La 0.75Sr 0.25MnO 3 and LaNiO 3, and show that ferroelectriclike displacements are induced. The ferroelectriclike distortion is found to be strongly dependent on the carrier concentration (Sr content). Further,more » we show that a metal-to-insulator (MI) transition is feasible in this system via disproportionation of the Ni sites. Such a disproportionation and, hence, a MI transition can be driven by intermixing of transition metal ions between Mn and Ni layers. Finally, as a result, the energy gap of the resulting ferroelectric can be tuned by varying the degree of intermixing in the experimental fabrication method.« less

Engineering an Insulating Ferroelectric Superlattice with a Tunable Band Gap from Metallic Components

NASA Astrophysics Data System (ADS)

Ghosh, Saurabh; Borisevich, Albina Y.; Pantelides, Sokrates T.

2017-10-01

The recent discovery of "polar metals" with ferroelectriclike displacements offers the promise of designing ferroelectrics with tunable energy gaps by inducing controlled metal-insulator transitions. Here we employ first-principles calculations to design a metallic polar superlattice from nonpolar metal components and show that controlled intermixing can lead to a true insulating ferroelectric with a tunable band gap. We consider a 2 /2 superlattice made of two centrosymmetric metallic oxides, La0.75 Sr0.25 MnO3 and LaNiO3 , and show that ferroelectriclike displacements are induced. The ferroelectriclike distortion is found to be strongly dependent on the carrier concentration (Sr content). Further, we show that a metal-to-insulator (MI) transition is feasible in this system via disproportionation of the Ni sites. Such a disproportionation and, hence, a MI transition can be driven by intermixing of transition metal ions between Mn and Ni layers. As a result, the energy gap of the resulting ferroelectric can be tuned by varying the degree of intermixing in the experimental fabrication method.

Engineering an Insulating Ferroelectric Superlattice with a Tunable Band Gap from Metallic Components

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

Ghosh, Saurabh; Borisevich, Albina Y.; Pantelides, Sokrates T.

The recent discovery of “polar metals” with ferroelectriclike displacements offers the promise of designing ferroelectrics with tunable energy gaps by inducing controlled metal-insulator transitions. Here in this work, we employ first-principles calculations to design a metallic polar superlattice from nonpolar metal components and show that controlled intermixing can lead to a true insulating ferroelectric with a tunable band gap. We consider a 2/2 superlattice made of two centrosymmetric metallic oxides, La 0.75Sr 0.25MnO 3 and LaNiO 3, and show that ferroelectriclike displacements are induced. The ferroelectriclike distortion is found to be strongly dependent on the carrier concentration (Sr content). Further,more » we show that a metal-to-insulator (MI) transition is feasible in this system via disproportionation of the Ni sites. Such a disproportionation and, hence, a MI transition can be driven by intermixing of transition metal ions between Mn and Ni layers. Finally, as a result, the energy gap of the resulting ferroelectric can be tuned by varying the degree of intermixing in the experimental fabrication method.« less

Transition metal ions in ZnO: Effects of intrashell coulomb repulsion on electronic properties

NASA Astrophysics Data System (ADS)

Ciechan, A.; Bogusławski, P.

2018-05-01

Electronic structure of the transition metal (TM) dopants in ZnO is calculated by first principles approach. Analysis of the results is focused on the properties determined by the intrashell Coulomb coupling. The role of both direct and exchange interaction channel is analyzed. The coupling is manifested in the strong charge state dependence of the TM gap levels, which leads to the metastability of photoexcited Mn, and determines the accessible equilibrium charge states of TM ions. The varying magnitude of the exchange coupling is reflected in the dependence of the spin splitting energy on the chemical identity across the 3d series, as well as the charge state dependence of spin-up spin-down exchange splitting.

Details of the disorder-induced transition between s ± and s ++ states in the two-band model for Fe-based superconductors

NASA Astrophysics Data System (ADS)

Shestakov, V. A.; Korshunov, M. M.; Togushova, Yu N.; Efremov, D. V.; Dolgov, O. V.

2018-07-01

Irradiation of superconductors with different particles is one of many ways to investigate the effects of disorder. Here we study the disorder-induced transition between s ± and s ++ states in the two-band model for Fe-based superconductors with nonmagnetic impurities. Specifically, we investigate the important question of whether the superconducting gaps during the transition change smoothly or abruptly. We show that the behavior can be of either type and is controlled by the ratio of intraband to interband impurity scattering potentials, and by a parameter σ , that represents scattering strength and ranges from zero (Born approximation) to one (unitary limit). For the pure interband scattering potential and the scattering strength σ ≲ 0.11, the {s}+/- \\to {s}++ transition is accompanied by steep changes in the gaps, while for larger values of σ , the gaps change smoothly. The behavior of the gaps is characterized by steep changes at low temperatures, T< 0.1{T}{{c}0} with T c0 being the critical temperature in the clean limit, otherwise it changes gradually. The critical temperature T c is always a smooth function of the scattering rate in spite of the steep changes in the behavior of the gaps.

Electronic Structure and Band Gap of Fullerenes on Tungsten Surfaces: Transition from a Semiconductor to a Metal Triggered by Annealing.

PubMed

Monazami, Ehsan; McClimon, John B; Rondinelli, James; Reinke, Petra

2016-12-21

The understanding and control of molecule-metal interfaces is critical to the performance of molecular electronics and photovoltaics devices. We present a study of the interface between C 60 and W, which is a carbide-forming transition metal. The complex solid-state reaction at the interface can be exploited to adjust the electronic properties of the molecule layer. Scanning tunneling microscopy/spectroscopy measurements demonstrate the progression of this reaction from wide band gap (>2.5 eV) to metallic molecular surface during annealing from 300 to 800 K. Differential conduction maps with 10 4 scanning tunneling spectra are used to quantify the transition in the density of states and the reduction of the band gap during annealing with nanometer spatial resolution. The electronic transition is spatially homogeneous, and the surface band gap can therefore be adjusted by a targeted annealing step. The modified molecules, which we call nanospheres, are quite resistant to ripening and coalescence, unlike any other metallic nanoparticle of the same size. Densely packed C 60 and isolated C 60 molecules show the same transition in electronic structure, which confirms that the transformation is controlled by the reaction at the C 60 -W interface. Density functional theory calculations are used to develop possible reaction pathways in agreement with experimentally observed electronic structure modulation. Control of the band gap by the choice of annealing temperature is a unique route to tailoring molecular-layer electronic properties.

Band gap renormalization and Burstein-Moss effect in silicon- and germanium-doped wurtzite GaN up to 1020 cm-3

NASA Astrophysics Data System (ADS)

Feneberg, Martin; Osterburg, Sarah; Lange, Karsten; Lidig, Christian; Garke, Bernd; Goldhahn, Rüdiger; Richter, Eberhard; Netzel, Carsten; Neumann, Maciej D.; Esser, Norbert; Fritze, Stephanie; Witte, Hartmut; Bläsing, Jürgen; Dadgar, Armin; Krost, Alois

2014-08-01

The interplay between band gap renormalization and band filling (Burstein-Moss effect) in n-type wurtzite GaN is investigated. For a wide range of electron concentrations up to 1.6×1020cm-3 spectroscopic ellipsometry and photoluminescence were used to determine the dependence of the band gap energy and the Fermi edge on electron density. The band gap renormalization is the dominating effect up to an electron density of about 9×1018cm-3; at higher values the Burstein-Moss effect is stronger. Exciton screening, the Mott transition, and formation of Mahan excitons are discussed. A quantitative understanding of the near gap transition energies on electron density is obtained. Higher energy features in the dielectric functions up to 10eV are not influenced by band gap renormalization.

Electronic and Thermal Effects in the Insulator-Metal Phase Transition in VO2 Nano-Gap Junctions

DTIC Science & Technology

2014-11-27

VO2 , air, or SiO2, the 2 -0.50 -0.25 0.00 0.25 0.50 0 2 4 6 V Gap V App V o lt ag e (V ) time (ms) t p V I→M V M→I 100 400 700 1000 0.0 2.5 5.0 7.5...Electronic and thermal effects in the insulator-metal phase transition in VO2 nano-gap junctions Arash Joushaghani,1 Junho Jeong,1 Suzanne Paradis,2...Canada (Dated: 27 November 2014) By controlling the thermal transport of VO2 nano-gap junctions using device geometry, contact material, and applied

Spontaneous emission near the edge of a photonic band gap

NASA Astrophysics Data System (ADS)

John, Sajeev; Quang, Tran

1994-08-01

The spectral and dynamical features of spontaneous emission from two and three-level atoms in which one transition frequency lay near the edge of a photonic band gap (PBG) were derived. These features included temporal oscillations, fractionalized steady-state atomic population on the excited state, spectral splitting and subnatural bandwidth. The effect of N-1 unexcited atoms were also taken into account. The direct consequences of photon localization as embodied in the photon-atom bound state were observed. One feasible experimental accomplishment of these effects may ensue from laser-cooled atoms in the void regions of a PBG medium. Another option is the application of an organic impurity molecule such as pentacene. Such molecules were known to show extremely narrow linewidths when placed in fitting solid hosts.

Closed-edged bilayer phosphorene nanoribbons producing from collapsing armchair phosphorene nanotubes.

PubMed

Liao, Xiangbiao; Xiao, Hang; Lu, Xiaobo; Chen, Youlong; Shi, Xiaoyang; Chen, Xi

2018-02-23

A new phosphorous allotrope, closed-edged bilayer phosphorene nanoribbon, is proposed via radially deforming armchair phosphorene nanotubes. Using molecular dynamics simulations, the transformation pathway from round PNTs falls into two types of collapsed structures: arc-like and sigmoidal bilayer nanoribbons, dependent on the number of phosphorene unit cells. The fabricated nanoribbions are energetically more stable than their parent nanotubes. It is also found via ab initio calculations that the band structure along tube axis substantially changes with the structural transformation. The direct-to-indirect transition of band gap is highlighted when collapsing into the arc-like nanoribbons but not the sigmoidal ones. Furthermore, the band gaps of these two types of nanoribbons show significant size-dependence of the nanoribbon width, indicative of wider tunability of their electrical properties.

Modulation of the electronic property of phosphorene by wrinkle and vertical electric field

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

Li, Yan; Wei, Zhongming, E-mail: zmwei@semi.ac.cn; Li, Jingbo, E-mail: jbli@semi.ac.cn

2015-09-14

The electronic properties of wrinkled phosphorene and its response to charge injection and external vertical electric field have been studied using first-principles calculations. It is found that small-size wrinkle systems have lower energy than wrinkle-free monolayer, suggesting that free-standing phosphorene spontaneously forms small protrusion on its nanosheet. The ratio of wrinkle height to curvature radius increases with enlarging height, indicating a promotion of field enhancement factor. Furthermore, the injected charges mostly distribute at peak and valley. Direct-to-indirect band-gap transition has been found for zigzag wrinkle with height of 14.81 Å. The band gaps of wrinkled nanosheets decrease almost linearly with increasingmore » field, which is caused by charge separation of valence band maximum and conduction band minimum.« less

First principles study of pressure induced polymorphic phase transition in KNO3

NASA Astrophysics Data System (ADS)

Yedukondalu, N.; Vaitheeswaran, G.

2015-06-01

We report the structural, elastic, electronic, and vibrational properties of polymorphic phases II and III of KNO3 based on density functional theory (DFT). Using semi-empirical dispersion correction (DFT-D2) method, we predicted the correct thermodynamic ground state of KNO3 and the obtained ground state properties of the polymorphs are in good agreement with the experiments. We further used this method to calculate the elastic constants, IR and Raman spectra, vibrational frequencies and their assignment of these polymorphs. The calculated Tran Blaha-modified Becke Johnson (TB-mBJ) electronic structure shows that both the polymorphic phases are direct band gap insulators with mixed ionic and covalent bonding. Also the TB-mBJ band gaps are improved over standard DFT functionals which are comparable with the available experiments.

Multiple states and hysteresis in a two-layer loop current type system

NASA Astrophysics Data System (ADS)

Kuehl, J.; Sheremet, V.

2017-12-01

Rotating table experiments are considered of a two-layer loop current type or gap-leaping system. Such experiments are representative of oceanic regions including the Kuroshio current crossing the Luzon Strait, the Gulf of Mexico Loop Current, the Northeast Chanel of the Gulf of Maine where Scotian shelf water leaps directly from Browns bank to Georges Bank and more. Systems such as these are known to admit two dominant states: leaping across the gap or penetrating into the gap forming a loop current. Which state the system will assume and when transitions between states will occur are open problems. We show that such systems admit multiple steady states with hysteresis when the strength of the current is varied. When the state of the system is viewed in a parameter space representing inertia and vorticity constraint, the system is found to be characterized by a cusp topology of solutions. The existence of such dynamics in two-layer quasi-geostrophic systems has significant implications for oceanographic predictability.

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

NASA Astrophysics Data System (ADS)

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

2012-07-01

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

Band gap tuning in transition metal oxides by site-specific substitution

DOEpatents

Lee, Ho Nyung; Chisholm, Jr., Matthew F; Jellison, Jr., Gerald Earle; Singh, David J; Choi, Woo Seok

2013-12-24

A transition metal oxide insulator composition having a tuned band gap includes a transition metal oxide having a perovskite or a perovskite-like crystalline structure. The transition metal oxide includes at least one first element selected form the group of Bi, Ca, Ba, Sr, Li, Na, Mg, K, Pb, and Pr; and at least one second element selected from the group of Ti, Al, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Rh, Hf, Ta, W, Re, Os, Ir, and Pt. At least one correlated insulator is integrated into the crystalline structure, including REMO.sub.3, wherein RE is at least one Rare Earth element, and wherein M is at least one element selected from the group of Co, V, Cr, Ni, Mn, and Fe. The composition is characterized by a band gap of less of 4.5 eV.

A Diffraction-limited Survey for Direct Detection of Halpha Emitting/Accreting ExtraSolar Planets with the 6.5m Magellan Telescope and the MagAO Visible AO system

NASA Astrophysics Data System (ADS)

Close, Laird

TECHNICAL BACKGROUND: An advanced adaptive secondary mirror (ASM) with 585 actuators was commissioned at the 6.5-m Magellan Telescope at one of the world’s best sites (Las Campanas Observatory; LCO) in Chile. By the end of the commissioning run (April 2013) the MagAO system was regularly producing the highest spatial resolution deep images to date (0.023” deep images at Halpha (0.656 microns); Close et al. 2013). This is due to its 378 corrective modes at 1kHz on a 6.5-m telescope. Strehl ratis>20% at Halpha were obtained in 75% of the seeing statistics at the site. We propose here to utilize MagAO’s absolutely unique ability to take Halpha, continuum (0.643 microns), and L’ (3.8 microns) thermal images (all simultaneously) to carry out a novel survey to: Discover a population of the lowest mass young accreting extrasolar planets imaged to date. to characterize the spatial distribution, and estimate accretion rates, of young extrasolar planets >5AU, to understand the influence of planets on transitional disk gaps. THEORY BACKGROUND: Extrasolar planets are very difficult to image directly since planets become very faint below ~8 Mjup (Jupiter masses) for ages >1 Myr and such massive planets are rare. There is a class of young stars that are still accreting yet have SED (and often imaging) evidence of a lack of dust and gas inside a r=5-140 AU “gap”. These “transitional disks” are believed to be transitioning into “disk free” stars. These gaps are believed to be maintained by planets that continuously clear (though scattering or accretion) the optically thin gaps. Indeed large >10 AU gaps (>few Hill spheres) must be maintained by multiple ~1 Mjup planets (Dodson-Robinson & Salyk 2011). Since gas must pass through each of these gaps to continuously supply the accreting star, simulations suggest that these “gap planets” are also crossing points for these gas streamers on their way to the star. These streamers “force-feed” these planets a steady diet of hydrogen gas. Such planets should then be quite bright in Halpha accretion emission. The key point is that: instead of a steep drop off in the luminosity of the planet’s atmosphere, the accretion luminosity of these planets will just linearly decrease with decreasing mass. At an accretion rate=6e-10 Msun/yr we find low mass (~1 Mjup) accreting gap planets are much (50-1000x) brighter (for 0-3.4 mag of Halpha extinction) in Halpha than at H band. PROOF-OF_CONCEPT: A 3 hour MagAO observation at Halpha of a transitional disk in April 2013 was made. The resulting deep diffraction-limited images discovered (at 10.5 sigma) an Halpha source that was 295% above the continuum just 0.083” from the star (edge of the inner 10 AU disk gap). We also detected (at 5 sigma) an excellent (though much fainter) ~1 Mjup mass Halpha planet candidate located auspiciously at the outer edge (145 AU) of the gap. If confirmed by our “second epoch” follow-up as common proper motion then this would be the lowest mass (~1 Mjup) planet ever imaged. SURVEY: Scaling off of this exciting success we propose to deeply image (120 min) all 14 nearby (D<250pc), bright (R<11 mag) , not edge-on (i<80 deg) , young (~5 Myr) transitional disks with MagAO simultaneously at Halpha and L’. In addition, we will use BrGamma instead of Halpha for 8 additional fainter (111 Mjup in mass, we integrate across our target list and find that, in the worst case of minimal masses (1+/-0.5 Mjup), and 3.4 mag extinction, at least seven ~1 Mjup planets should be discovered by this survey --meeting all three of our science goals above.

Synthesis of Nanocrystalline SnOx (x = 1–2) Thin Film Using a Chemical Bath Deposition Method with Improved Deposition Time, Temperature and pH

PubMed Central

Ebrahimiasl, Saeideh; Yunus, Wan Md. Zin Wan; Kassim, Anuar; Zainal, Zulkarnain

2011-01-01

Nanocrystalline SnOx (x = 1–2) thin films were prepared on glass substrates by a simple chemical bath deposition method. Triethanolamine was used as complexing agent to decrease time and temperature of deposition and shift the pH of the solution to the noncorrosive region. The films were characterized for composition, surface morphology, structure and optical properties. X-ray diffraction analysis confirms that SnOx thin films consist of a polycrystalline structure with an average grain size of 36 nm. Atomic force microscopy studies show a uniform grain distribution without pinholes. The elemental composition was evaluated by energy dispersive X-ray spectroscopy. The average O/Sn atomic percentage ratio is 1.72. Band gap energy and optical transition were determined from optical absorbance data. The film was found to exhibit direct and indirect transitions in the visible spectrum with band gap values of about 3.9 and 3.7 eV, respectively. The optical transmittance in the visible region is 82%. The SnOx nanocrystals exhibit an ultraviolet emission band centered at 392 nm in the vicinity of the band edge, which is attributed to the well-known exciton transition in SnOx. Photosensitivity was detected in the positive region under illumination with white light. PMID:22163690

Challenges and Gaps in Children's Transition from Early Childhood Development to Grade One in Zimbabwe

ERIC Educational Resources Information Center

Chikwiri, E.; Musiyiwa, J.

2017-01-01

The study focused on challenges and gaps faced by children during the transition period from early childhood development (ECD) to primary education and possible solutions to them. It adopted the qualitative methodological approach through the use of Focus Group Discussions with councillors, education officials, child care workers, chiefs, parents…

Interplay of Cu and oxygen vacancy in optical transitions and screening of excitons in ZnO:Cu films

NASA Astrophysics Data System (ADS)

Darma, Yudi; Seng Herng, Tun; Marlina, Resti; Fauziah, Resti; Ding, Jun; Rusydi, Andrivo

2014-02-01

We study room temperature optics and electronic structures of ZnO:Cu films as a function of Cu concentration using a combination of spectroscopic ellipsometry, photoluminescence, and ultraviolet-visible absorption spectroscopy. Mid-gap optical states, interband transitions, and excitons are observed and distinguishable. We argue that the mid-gap states are originated from interactions of Cu and oxygen vacancy (Vo). They are located below conduction band (Zn4s) and above valence band (O2p) promoting strong green emission and narrowing optical band gap. Excitonic states are screened and its intensities decrease upon Cu doping. Our results show the importance of Cu and Vo driving the electronic structures and optical transitions in ZnO:Cu films.

Recent progress in avalanche photodiodes for sensing in the IR spectrum

NASA Astrophysics Data System (ADS)

Maddox, S. J.; Ren, M.; Woodson, M. E.; Bank, S. R.; Campbell, J. C.

2016-05-01

Abstract—We report low-noise avalanche gain from photodiodes composed of a previously uncharacterized alloy, AlxIn1-xAsySb1-y, grown lattice-matched on GaSb substrates. By varying the aluminum content the direct bandgap can be tuned from 0.25 eV (0% aluminum) to 1.24 eV (75% aluminum), corresponding to photon wavelengths from 5000 nm to 1000 nm, with the transition from direct-gap to indirect-gap occurring at ~1.18 eV (~72% aluminum), or 1050 nm. This has been used to fabricate separate absorption, charge, and multiplication (SACM) APDs using Al0.7In0.3As0.3Sb0.7 for the multiplication region and Al0.4In0.6As0.3Sb0.7 for the absorber. Gain values as high as 100 have been achieved and the excess noise factor is characterized by a k value of 0.01, which is comparable to or below that of Si. In addition, since the bandgap of the absorption region is direct, its absorption depth is 5 to 10 times shorter than indirect-bandgap silicon, potentially enabling significantly higher operating bandwidths.

Merging of the Dirac points in electronic artificial graphene

NASA Astrophysics Data System (ADS)

Feilhauer, J.; Apel, W.; Schweitzer, L.

2015-12-01

Theory predicts that graphene under uniaxial compressive strain in an armchair direction should undergo a topological phase transition from a semimetal into an insulator. Due to the change of the hopping integrals under compression, both Dirac points shift away from the corners of the Brillouin zone towards each other. For sufficiently large strain, the Dirac points merge and an energy gap appears. However, such a topological phase transition has not yet been observed in normal graphene (due to its large stiffness) neither in any other electronic system. We show numerically and analytically that such a merging of the Dirac points can be observed in electronic artificial graphene created from a two-dimensional electron gas by application of a triangular lattice of repulsive antidots. Here, the effect of strain is modeled by tuning the distance between the repulsive potentials along the armchair direction. Our results show that the merging of the Dirac points should be observable in a recent experiment with molecular graphene.

Optoelectronic Properties of X-Doped (X = O, S, Te) Photovoltaic CSe with Puckered Structure.

PubMed

Zhang, Qiang; Xin, Tianyuan; Lu, Xiaoke; Wang, Yuexia

2018-03-16

We exploited novel two-dimensional (2D) carbon selenide (CSe) with a structure analogous to phosphorene, and probed its electronics and optoelectronics. Calculating phonon spectra using the density functional perturbation theory (DFPT) method indicated that 2D CSe possesses dynamic stability, which made it possible to tune and equip CSe with outstanding properties by way of X-doping (X = O, S, Te), i.e., X substituting Se atoms. Then systematic investigation on the structural, electronic, and optical properties of pristine and X-doped monolayer CSe was carried out using the density functional theory (DFT) method. It was found that the bonding feature of C-X is intimately associated with the electronegativity and radius of the doping atoms, which leads to diverse electronic and optical properties for doping different group VI elements. All the systems possess direct gaps, except for O-doping. Substituting O for Se atoms in monolayer CSe brings about a transition from a direct Γ-Γ band gap to an indirect Γ-Y band gap. Moreover, the value of the band gap decreases with increased doping concentration and radius of doping atoms. A red shift in absorption spectra occurs toward the visible range of radiation after doping, and the red-shift phenomenon becomes more obvious with increased radius and concentration of doping atoms. The results can be useful for filtering doping atoms according to their radius or electronegativity in order to tailor optical spectra efficiently.

Optoelectronic Properties of X-Doped (X = O, S, Te) Photovoltaic CSe with Puckered Structure

PubMed Central

Zhang, Qiang; Xin, Tianyuan; Lu, Xiaoke; Wang, Yuexia

2018-01-01

We exploited novel two-dimensional (2D) carbon selenide (CSe) with a structure analogous to phosphorene, and probed its electronics and optoelectronics. Calculating phonon spectra using the density functional perturbation theory (DFPT) method indicated that 2D CSe possesses dynamic stability, which made it possible to tune and equip CSe with outstanding properties by way of X-doping (X = O, S, Te), i.e., X substituting Se atoms. Then systematic investigation on the structural, electronic, and optical properties of pristine and X-doped monolayer CSe was carried out using the density functional theory (DFT) method. It was found that the bonding feature of C-X is intimately associated with the electronegativity and radius of the doping atoms, which leads to diverse electronic and optical properties for doping different group VI elements. All the systems possess direct gaps, except for O-doping. Substituting O for Se atoms in monolayer CSe brings about a transition from a direct Γ-Γ band gap to an indirect Γ-Y band gap. Moreover, the value of the band gap decreases with increased doping concentration and radius of doping atoms. A red shift in absorption spectra occurs toward the visible range of radiation after doping, and the red-shift phenomenon becomes more obvious with increased radius and concentration of doping atoms. The results can be useful for filtering doping atoms according to their radius or electronegativity in order to tailor optical spectra efficiently. PMID:29547504

Entrainment, retention, and transport of freely swimming fish in junction gaps between commercial barges operating on the Illinois Waterway

USGS Publications Warehouse

Davis, Jeremiah J.; Jackson, P. Ryan; Engel, Frank; LeRoy, Jessica Z.; Neeley, Rebecca N.; Finney, Samuel T.; Murphy, Elizabeth A.

2016-01-01

Large Electric Dispersal Barriers were constructed in the Chicago Sanitary and Ship Canal (CSSC) to prevent the transfer of invasive fish species between the Mississippi River Basin and the Great Lakes Basin while simultaneously allowing the passage of commercial barge traffic. We investigated the potential for entrainment, retention, and transport of freely swimming fish within large gaps (> 50 m3) created at junction points between barges. Modified mark and capture trials were employed to assess fish entrainment, retention, and transport by barge tows. A multi-beam sonar system enabled estimation of fish abundance within barge junction gaps. Barges were also instrumented with acoustic Doppler velocity meters to map the velocity distribution in the water surrounding the barge and in the gap formed at the junction of two barges. Results indicate that the water inside the gap can move upstream with a barge tow at speeds near the barge tow travel speed. Water within 1 m to the side of the barge junction gaps was observed to move upstream with the barge tow. Observed transverse and vertical water velocities suggest pathways by which fish may potentially be entrained into barge junction gaps. Results of mark and capture trials provide direct evidence that small fish can become entrained by barges, retained within junction gaps, and transported over distances of at least 15.5 km. Fish entrained within the barge junction gap were retained in that space as the barge tow transited through locks and the Electric Dispersal Barriers, which would be expected to impede fish movement upstream.

Marcasite revisited: Optical absorption gap at room temperature

NASA Astrophysics Data System (ADS)

Sánchez, C.; Flores, E.; Barawi, M.; Clamagirand, J. M.; Ares, J. R.; Ferrer, I. J.

2016-03-01

Jagadeesh and Seehra published in 1980 that the marcasite band gap energy is 0.34 eV. However, recent calculations and experimental approximations accomplished by several research groups point out that the marcasite band gap energy should be quite similar to that of pyrite (of the order of 0.8-1.0 eV). By using diffuse reflectance spectroscopy (DRS) we have determined that marcasite has no optical absorption gap at photon energies 0.06 ≤ hν ≤ 0.75 eV and that it has two well defined optical transitions at ~ 0.9 eV and ~ 2.2 eV quite similar to those of pyrite. Marcasite optical absorption gap appears to be Eg ≅ 0.83 ± 0.02 eV and it is due to an allowed indirect transition.

Data correlation and analysis of arc tunnel and wind tunnel tests of RSI joints and gaps, phase 2. Volume 1: Technical report

NASA Technical Reports Server (NTRS)

Cristensen, H. E.

1975-01-01

Heat transfer data measured in gaps representative of those being employed for joints in the space shuttle reusable surface insulation (RSI) thermal protection systems (TPS) were assimilated, analyzed, and correlated. Several types of gap were investigated with emphasis on simple butt joints. Gap widths ranged from 0.0 to 0.76 cm and depths ranged from 1 to 6 cm. Laminar, transitional, and turbulent boundary layer flows over the gap opening were investigated. The angle between gap axis and external flow was varied between 0 and pi/2 radians. The contoured cross section gap performed significantly better than all other wide gaps and slightly better than all other narrow gap geometries. Three dimensional heating variations were observed within gaps in the absence of external flow pressure gradients. Interactions between heating within gaps and heating of adjacent top tile surfaces were observed. Gaps aligned with the flow were observed to promote boundary layer transition. Heat transfer correlation equations were obtained for many of the tests. The TPS thickness requirements with and without gaps were computed for a current shuttle entry trajectory. Experimental data employed in the study are summarized. A description of each test facility, run schedule and test conditions, model descriptive information, and heat flux data are included.

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

NASA Astrophysics Data System (ADS)

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.

A Thin Lens Model for Charged-Particle RF Accelerating Gaps

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

Allen, Christopher K.

Presented is a thin-lens model for an RF accelerating gap that considers general axial fields without energy dependence or other a priori assumptions. Both the cosine and sine transit time factors (i.e., Fourier transforms) are required plus two additional functions; the Hilbert transforms the transit-time factors. The combination yields a complex-valued Hamiltonian rotating in the complex plane with synchronous phase. Using Hamiltonians the phase and energy gains are computed independently in the pre-gap and post-gap regions then aligned using the asymptotic values of wave number. Derivations of these results are outlined, examples are shown, and simulations with the model aremore » presented.« less

Magnetic hard gap due to bound magnetic polarons in the localized regime.

PubMed

Rimal, Gaurab; Tang, Jinke

2017-02-08

We investigate the low temperature electron transport properties of manganese doped lead sulfide films. The system shows variable range hopping at low temperatures that crosses over into an activation regime at even lower temperatures. This crossover is destroyed by an applied magnetic field which suggests a magnetic origin of the hard gap, associated with bound magnetic polarons. Even though the gap forms around the superconducting transition temperature of lead, we do not find evidence of this being due to insulator-superconductor transition. Comparison with undoped PbS films, which do not show the activated transport behavior, suggests that bound magnetic polarons create the hard gap in the system that can be closed by magnetic fields.

Co-doped phosphorene: Enhanced sensitivity of CO gas sensing

NASA Astrophysics Data System (ADS)

Lei, S. Y.; Luan, S.; Yu, H.

2018-03-01

First-principle calculation was carried out to systematically investigate carbon monoxide (CO) adsorption on pristine and cobalt (Co)-doped phosphorenes (Co-bP). Whether or not CO is adsorped, pristine phosphorene is a direct-band-gap semiconductor. However, the bandgap of Co-bP experiences direct-to-indirect transition after CO molecule adsorption, which will affect optical absorption considerably, implying that Co doping can enhance the sensitivity of phosphorene as a CO gas sensor. Moreover, Co doping can improve an adsorption energy of CO to 1.31 eV, as compared with pristine phosphorene (0.12 eV), also indicating that Co-bP is energetically favorable for CO gas sensing.

Overcrowding drives the unjamming transition of gap-free monolayers

NASA Astrophysics Data System (ADS)

Lan, Ganhui; Su, Tao

Collective cell motility plays central roles in various biological phenomena such as wound healing, cancer metastasis and embryogenesis. These are demonstrations of the unjamming transition in biology. However, contradictory to the typical density-driven jamming in particulate assemblies, cellular systems often get unjammed in highly packed, sometimes overcrowding environments. Here, we investigate monolayers' collective behaviors when cell number changes under the gap-free constraint. We report that overcrowding can unjam gap-free monolayers through increasing isotropic compression. We show that the transition boundary is determined by the isotropic compression and the cell-cell adhesion. Furthermore, we construct the free energy landscape for the T1 topological transition during monolayer rearrangement, and discover that the landscape evolves from single-barrier W shape to double-barrier M shape during the unjamming process. We also discover a distributed-to-disordered morphological transition of cells' geometry, coinciding with the unjamming transition. Our analyses reveal that the overcrowding and adhesion induced unjamming reflects the mechanical yielding of the highly deformable monolayer, suggesting an alternative mechanism that cells may robustly gain collective mobility through proliferation in confined environments, which differs from those caused by loosing up a packed particulate assembly. This work is supported by the GWU College Facilitating Funds.

Energy band gap and optical transition of metal ion modified double crossover DNA lattices.

PubMed

Dugasani, Sreekantha Reddy; Ha, Taewoo; Gnapareddy, Bramaramba; Choi, Kyujin; Lee, Junwye; Kim, Byeonghoon; Kim, Jae Hoon; Park, Sung Ha

2014-10-22

We report on the energy band gap and optical transition of a series of divalent metal ion (Cu(2+), Ni(2+), Zn(2+), and Co(2+)) modified DNA (M-DNA) double crossover (DX) lattices fabricated on fused silica by the substrate-assisted growth (SAG) method. We demonstrate how the degree of coverage of the DX lattices is influenced by the DX monomer concentration and also analyze the band gaps of the M-DNA lattices. The energy band gap of the M-DNA, between the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), ranges from 4.67 to 4.98 eV as judged by optical transitions. Relative to the band gap of a pristine DNA molecule (4.69 eV), the band gap of the M-DNA lattices increases with metal ion doping up to a critical concentration and then decreases with further doping. Interestingly, except for the case of Ni(2+), the onset of the second absorption band shifts to a lower energy until a critical concentration and then shifts to a higher energy with further increasing the metal ion concentration, which is consistent with the evolution of electrical transport characteristics. Our results show that controllable metal ion doping is an effective method to tune the band gap energy of DNA-based nanostructures.

Non-Gaussian statistics and nanosecond dynamics of electrostatic fluctuations affecting optical transitions in proteins.

PubMed

Martin, Daniel R; Matyushov, Dmitry V

2012-08-30

We show that electrostatic fluctuations of the protein-water interface are globally non-Gaussian. The electrostatic component of the optical transition energy (energy gap) in a hydrated green fluorescent protein is studied here by classical molecular dynamics simulations. The distribution of the energy gap displays a high excess in the breadth of electrostatic fluctuations over the prediction of the Gaussian statistics. The energy gap dynamics include a nanosecond component. When simulations are repeated with frozen protein motions, the statistics shifts to the expectations of linear response and the slow dynamics disappear. We therefore suggest that both the non-Gaussian statistics and the nanosecond dynamics originate largely from global, low-frequency motions of the protein coupled to the interfacial water. The non-Gaussian statistics can be experimentally verified from the temperature dependence of the first two spectral moments measured at constant-volume conditions. Simulations at different temperatures are consistent with other indicators of the non-Gaussian statistics. In particular, the high-temperature part of the energy gap variance (second spectral moment) scales linearly with temperature and extrapolates to zero at a temperature characteristic of the protein glass transition. This result, violating the classical limit of the fluctuation-dissipation theorem, leads to a non-Boltzmann statistics of the energy gap and corresponding non-Arrhenius kinetics of radiationless electronic transitions, empirically described by the Vogel-Fulcher-Tammann law.

Transition from Townsend to radio-frequency homogeneous dielectric barrier discharge in a roll-to-roll configuration

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

Bazinette, R.; SIAME, Université de Pau et des Pays de l'Adour, Pau; Paillol, J.

The aim of this paper is to better understand the transition from Townsend to radio-frequency homogeneous dielectric barrier discharge (DBD) at atmospheric pressure. The study is done in an Ar/NH{sub 3} Penning mixture for an electrode configuration adapted to roll-to-roll plasma surface treatment. The study was led in a frequency range running from 50 kHz up to 8.3 MHz leading to different DBD modes with a 1 mm gas gap: Glow (GDBD), Townsend (TDBD), and Radio-frequency (RF-DBD). In the frequency range between TDBD and RF-DBD, from 250 kHz to 2.3 MHz, additional discharges are observed outside the inter-electrode gas gap. Because each high voltagemore » electrode are inside a dielectric barrel, these additional discharges occur on the side of the barrel where the gap is larger. They disappear when the RF-DBD mode is attained in the 1 mm inter-electrode gas gap, i.e., for frequencies equal or higher than 3 MHz. Fast imaging and optical emission spectroscopy show that the additional discharges are radio-frequency DBDs while the inter-electrode discharge is a TDBD. The RF-DBD discharge mode is attained when electrons drift becomes low enough compared to the voltage oscillation frequency to limit electron loss at the anode. To check that the additional discharges are due to a larger gas gap and a lower voltage amplitude, the TDBD/RF-DBD transition is investigated as a function of the gas gap and the applied voltage frequency and amplitude. Results show that the increase in the frequency at constant gas gap or in the gas gap at constant frequency allows to obtain RF-DBD instead of TDBD. At low frequency and large gap, the increase in the applied voltage allows RF-DBD/TDBD transition. As a consequence, an electrode configuration allowing different gap values is a solution to successively have different discharge modes with the same applied voltage.« less

Electromodulation spectroscopy of direct optical transitions in Ge{sub 1−x}Sn{sub x} layers under hydrostatic pressure and built-in strain

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

Dybała, F.; Żelazna, K.; Maczko, H.

Unstrained Ge{sub 1−x}Sn{sub x} layers of various Sn concentration (1.5%, 3%, 6% Sn) and Ge{sub 0.97}Sn{sub 0.03} layers with built-in compressive (ε = −0.5%) and tensile (ε = 0.3%) strain are grown by molecular beam epitaxy and studied by electromodulation spectroscopy (i.e., contactless electroreflectance and photoreflectance (PR)). In order to obtain unstrained GeSn layers and layers with different built-in in-plane strains, virtual InGaAs substrates of different compositions are grown prior to the deposition of GeSn layers. For unstrained Ge{sub 1−x}Sn{sub x} layers, the pressure coefficient for the direct band gap transition is determined from PR measurements at various hydrostatic pressures to be 12.2 ± 0.2 meV/kbar, whichmore » is very close to the pressure coefficient for the direct band gap transition in Ge (12.9 meV/kbar). This suggests that the hydrostatic deformation potentials typical of Ge can be applied to describe the pressure-induced changes in the electronic band structure of Ge{sub 1−x}Sn{sub x} alloys with low Sn concentrations. The same conclusion is derived for the uniaxial deformation potential, which describes the splitting between heavy-hole (HH) and light-hole (LH) bands as well as the strain-related shift of the spin-orbit (SO) split-off band. It is observed that the HH, LH, and SO related transitions shift due to compressive and tensile strain according to the Bir-Pikus theory. The dispersions of HH, LH, and SO bands are calculated for compressive and tensile strained Ge{sub 0.97}Sn{sub 0.03} with the 8-band kp Hamiltonian including strain effects, and the mixing of HH and LH bands is discussed. In addition, the dispersion of the electronic band structure is calculated for unstrained Ge{sub 1−x}Sn{sub x} layers (3% and 6% Sn) at high hydrostatic pressure with the 8-band kp Hamiltonian, and the pressure-induced changes in the electronic band structure are discussed.« less

Cuprate phase diagram and the influence of nanoscale inhomogeneities

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

Zaki, N.; Yang, H. -B.; Rameau, J. D.

2017-11-01

The phase diagram associated with high-Tc superconductors is complicated by an array of different ground states. The parent material represents an antiferromagnetic insulator but with doping superconductivity becomes possible with transition temperatures previously thought unattainable. The underdoped region of the phase diagram is dominated by the so-called pseudogap phenomena, whereby in the normal state the system mimics superconductivity in its spectral response but does not show the complete loss of resistivity associated with the superconducting state. An understanding of this regime presents one of the great challenges for the field. In the present study we revisit the structure of themore » phase diagram as determined in photoemission studies. By careful analysis of the role of nanoscale inhomogeneities in the overdoped region, we are able to more carefully separate out the gaps due to the pseudogap phenomena from the gaps due to the superconducting transition. Within a mean-field description, we are thus able to link the magnitude of the doping-dependent pseudogap directly to the Heisenberg exchange interaction term, J Sigma s(i)s(j), contained in the t - J model. This approach provides a clear indication that the pseudogap is associated with spin singlet formation.« less

Cuprate phase diagram and the influence of nanoscale inhomogeneities

DOE PAGES

Zaki, Nader; Yang, Hongbo -B.; Rameau, Jon D.; ...

2017-11-28

The phase diagram associated with high-T c superconductors is complicated by an array of different ground states. The parent material represents an antiferromagnetic insulator but with doping superconductivity becomes possible with transition temperatures previously thought unattainable. The underdoped region of the phase diagram is dominated by the so-called pseudogap phenomena, whereby in the normal state the system mimics superconductivity in its spectral response but does not show the complete loss of resistivity associated with the superconducting state. An understanding of this regime presents one of the great challenges for the field. In the present study we revisit the structure ofmore » the phase diagram as determined in photoemission studies. By careful analysis of the role of nanoscale inhomogeneities in the overdoped region, we are able to more carefully separate out the gaps due to the pseudogap phenomena from the gaps due to the superconducting transition. Within a mean-field description, we are thus able to link the magnitude of the doping-dependent pseudogap directly to the Heisenberg exchange interaction term, JΣs is j, contained in the t-J model. This approach provides a clear indication that the pseudogap is associated with spin singlet formation.« less

Cuprate phase diagram and the influence of nanoscale inhomogeneities

NASA Astrophysics Data System (ADS)

Zaki, N.; Yang, H.-B.; Rameau, J. D.; Johnson, P. D.; Claus, H.; Hinks, D. G.

2017-11-01

The phase diagram associated with high-Tc superconductors is complicated by an array of different ground states. The parent material represents an antiferromagnetic insulator but with doping superconductivity becomes possible with transition temperatures previously thought unattainable. The underdoped region of the phase diagram is dominated by the so-called pseudogap phenomena, whereby in the normal state the system mimics superconductivity in its spectral response but does not show the complete loss of resistivity associated with the superconducting state. An understanding of this regime presents one of the great challenges for the field. In the present study we revisit the structure of the phase diagram as determined in photoemission studies. By careful analysis of the role of nanoscale inhomogeneities in the overdoped region, we are able to more carefully separate out the gaps due to the pseudogap phenomena from the gaps due to the superconducting transition. Within a mean-field description, we are thus able to link the magnitude of the doping-dependent pseudogap directly to the Heisenberg exchange interaction term, J ∑sisj , contained in the t -J model. This approach provides a clear indication that the pseudogap is associated with spin singlet formation.

NASA Earth Observation Systems and Applications for Health: Moving from Research to Operational End Users

NASA Astrophysics Data System (ADS)

Haynes, J.; Estes, S. M.

2017-12-01

Health providers and researchers need environmental data to study and understand the geographic, environmental, and meteorological differences in disease. Satellite remote sensing of the environment offers a unique vantage point that can fill in the gaps of environmental, spatial, and temporal data for tracking disease. This presentation will demonstrate NASA's applied science programs efforts to transition from research to operations to benefit society. Satellite earth observations present a unique vantage point of the earth's environment from space, which offers a wealth of health applications for the imaginative investigator. The presentation is directly related to Earth Observing systems and Global Health Surveillance and will present research results of the remote sensing environmental observations of earth and health applications, which can contribute to the health research. As part of NASA approach and methodology they have used Earth Observation Systems and Applications for Health Models to provide a method for bridging gaps of environmental, spatial, and temporal data for tracking disease. This presentation will provide a venue where the results of both research and practice using satellite earth observations to study weather and it's role in health research and the transition to operational end users.

Dispersion transitions and pole-zero characteristics of finite inertially amplified acoustic metamaterials

NASA Astrophysics Data System (ADS)

Al Ba'ba'a, H.; DePauw, D.; Singh, T.; Nouh, M.

2018-03-01

This work presents a comprehensive analysis of wave dispersion patterns and band gap formation associated with Inertially Amplified Acoustic Metamaterials (IAAM). The findings explain the different mechanisms by which inertial amplification affect wave dispersion in the individual IAAM cell as well as the evolution of such effects in finite configurations of these cells. Derived expressions for acoustic wave dispersion in IAAMs reveal unique features including flat dispersion branches with zero group velocity and a transition from a metamaterial (local resonance) to a phononic behavior that is directly related to the location and magnitude of the inerter elements. Using a closed-form transfer function approach, the translation of such effects to IAAM realizations with a known number of cells is interpreted from the pole-zero distributions of the resultant finite structures. It is also shown that band gaps are not always necessarily enlarged in the presence of inertial amplification. Comparing with benchmark conventional acoustic metamaterials, the conditions leading up to favorable as well as inferior IAAM designs are fully derived. Finally, an alternative resonator-free acoustic metamaterial is presented and shown to exhibit local resonance effects under appropriately tuned conditions.

The pyrohealth transition: how combustion emissions have shaped health through human history.

PubMed

Johnston, Fay H; Melody, Shannon; Bowman, David M J S

2016-06-05

Air pollution from landscape fires, domestic fires and fossil fuel combustion is recognized as the single most important global environmental risk factor for human mortality and is associated with a global burden of disease almost as large as that of tobacco smoking. The shift from a reliance on biomass to fossil fuels for powering economies, broadly described as the pyric transition, frames key patterns in human fire usage and landscape fire activity. These have produced distinct patters of human exposure to air pollution associated with the Agricultural and Industrial Revolutions and post-industrial the Earth global system-wide changes increasingly known as the Anthropocene. Changes in patterns of human fertility, mortality and morbidity associated with economic development have been previously described in terms of demographic, epidemiological and nutrition transitions, yet these frameworks have not explicitly considered the direct consequences of combustion emissions for human health. To address this gap, we propose a pyrohealth transition and use data from the Global Burden of Disease (GBD) collaboration to compare direct mortality impacts of emissions from landscape fires, domestic fires, fossil fuel combustion and the global epidemic of tobacco smoking. Improving human health and reducing the environmental impacts on the Earth system will require a considerable reduction in biomass and fossil fuel combustion.This article is part of the themed issue 'The interaction of fire and mankind'. © 2016 The Author(s).

The pyrohealth transition: how combustion emissions have shaped health through human history

PubMed Central

Johnston, Fay H.; Melody, Shannon

2016-01-01

Air pollution from landscape fires, domestic fires and fossil fuel combustion is recognized as the single most important global environmental risk factor for human mortality and is associated with a global burden of disease almost as large as that of tobacco smoking. The shift from a reliance on biomass to fossil fuels for powering economies, broadly described as the pyric transition, frames key patterns in human fire usage and landscape fire activity. These have produced distinct patters of human exposure to air pollution associated with the Agricultural and Industrial Revolutions and post-industrial the Earth global system-wide changes increasingly known as the Anthropocene. Changes in patterns of human fertility, mortality and morbidity associated with economic development have been previously described in terms of demographic, epidemiological and nutrition transitions, yet these frameworks have not explicitly considered the direct consequences of combustion emissions for human health. To address this gap, we propose a pyrohealth transition and use data from the Global Burden of Disease (GBD) collaboration to compare direct mortality impacts of emissions from landscape fires, domestic fires, fossil fuel combustion and the global epidemic of tobacco smoking. Improving human health and reducing the environmental impacts on the Earth system will require a considerable reduction in biomass and fossil fuel combustion. This article is part of the themed issue ‘The interaction of fire and mankind’. PMID:27216506

Thermal Pairing in Nuclei

NASA Astrophysics Data System (ADS)

Dang, Nguyen Dinh

2008-04-01

The modified Hartree-Fock-Bogoliubov (MHFB) theory at finite temperature is derived for finite nuclei.1 In the limit of constant pairing parameter, the MHFB theory yields the modified BCS (MBCS) theory.2 These are the microscopic theories that can describe the crossover region at temperature T around the critical value Tc of the BCS superfluid-normal (SN) phase transition. By requiring the unitarity conservation of the particle-density matrix, the derivation of these theories is achieved by constructing a modified quasiparticle density matrix, where the fluctuation of the quasiparticle number is microscopically built in. This matrix can be directly obtained from the usual quasiparticle-density matrix by applying the secondary Bogoliubov transformation, which includes the quasiparticle occupation number. The calculations of the thermal pairing gap, total energy, heat capacity, quasiparticle and pairing correlation functions were carried out within MBCS theory for the Richardson model3 as well as realistic single-particle spectra. The Richardson model under consideration has varying Ω equidistant levels and N particles with a level distant equal to 1 MeV. It is shown that the limitation of the configuration space sets a limiting temperature TM up to which the MBCS theory can be applied. Enlarging the space in the half-filled case (Ω = N) by one valence level (Ω = N + 1) extends TM to a much higher temperature so that the predictions by the MBCS theory can be compared directly with the exact results up to T ~ 4 - 5 MeV even for small N. The MBCS gap does not collapse, but decreases monotonously with increasing T. The total energy and heat capacity predicted by the MBCS theory are closer to the exact results than those predicted by the BCS theory, especially in the region of the SN phase transition predicted within the BCS theory. The discontinuity in the BCS heat capacity at the critical temperature Tc is smoothed out within the MBCS theory, especially for small N, showing the disappearance of SN phase transition in very light systems. With increasing N the peak at Tc in the heat capacity becomes more pronounced, showing a phase-transition-like behavior in heavy systems. The effect of approximated particle-number projection using the Lipkin-Nogami method is also discussed. An application of the MBCS theory to the description of the damping of giant dipole resonances (GDR) in hot nuclei shows that, because of the existence of the pseudo gap, the GDR width remains nearly constant at temperatures up to around 1 MeV in tin isotopes in good agreement with the recent experimental systematic.4

Reflection technique for thermal mapping of semiconductors

DOEpatents

Walter, Martin J.

1989-06-20

Semiconductors may be optically tested for their temperatures by illuminating them with tunable monochromatic electromagnetic radiation and observing the light reflected off of them. A transition point will occur when the wavelength of the light corresponds with the actual band gap energy of the semiconductor. At the transition point, the image of the semiconductor will appreciably darken as the light is transmitted through it, rather than being reflected off of it. The wavelength of the light at the transition point corresponds to the actual band gap energy and the actual temperature of the semiconductor.

Direct visualization of a two-dimensional topological insulator in the single-layer 1 T'-WT e2

NASA Astrophysics Data System (ADS)

Jia, Zhen-Yu; Song, Ye-Heng; Li, Xiang-Bing; Ran, Kejing; Lu, Pengchao; Zheng, Hui-Jun; Zhu, Xin-Yang; Shi, Zhi-Qiang; Sun, Jian; Wen, Jinsheng; Xing, Dingyu; Li, Shao-Chun

2017-07-01

We have grown nearly freestanding single-layer 1 T'-WT e2 on graphitized 6 H -SiC(0001) by using molecular beam epitaxy (MBE), and characterized its electronic structure with scanning tunneling microscopy/spectroscopy (STM/STS). The existence of topological edge states at the periphery of single-layer WT e2 islands was confirmed. Surprisingly, a bulk band gap at the Fermi level and insulating behaviors were also found in single-layer WT e2 at low temperature, which are likely associated with an incommensurate charge order transition. The realization of two-dimensional topological insulators (2D TIs) in single-layer transition-metal dichalcogenide provides a promising platform for further exploration of the 2D TIs' physics and related applications.

Observations of long delays to detonation in propellant for tests with marginal card gaps

NASA Technical Reports Server (NTRS)

Olinger, B.

1980-01-01

Using the large-scale card gap tests with pin and high-speed framing camera techniques, VRP propellant, and presumably others, were found to transit to detonation at marginal gaps after a long delay. In addition, manganin-constantan gauge measurements were made in the card gap stack.

Gap junction systems in the rat vestibular labyrinth: immunohistochemical and ultrastructural analysis.

PubMed

Kikuchi, T; Adams, J C; Paul, D L; Kimura, R S

1994-09-01

The distribution of gap junctions within the vestibular labyrinth was investigated using immunohistochemistry and transmission electron microscopy. Connexin26-like immunoreactivity was observed among supporting cells in each vestibular sensory epithelium. Reaction product was also present in the transitional epithelium of each vestibular endorgan and in the planum semilunatum of crista ampullaris. No connexin26-like immunoreactivity was observed among thin wall epithelial cells or among vestibular dark cells. In addition, fibrocytes within vestibular connective tissue were positively immunostained. Reaction product was also detected in the melanocyte area just beneath dark cells. Ultrastructural observations indicated that a gap junction network of vestibular supporting cells extends to the transitional epithelium and planum semilunatum and forms an isolated epithelial cell gap junction system in each vestibular endorgan. In contrast, no gap junctions were found among wall epithelial cells or among dark cells. Fibrocytes and melanocytes were coupled by gap junctions and belong to the connective tissue cell gap junction system, which is continuous throughout the vestibular system and the cochlea. The possible functional significance of these gap junction systems is discussed.

CsSnI[subscript 3]: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions

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

Chung, In; Song, Jung-Hwan; Im, Jino

CsSnI{sub 3} is an unusual perovskite that undergoes complex displacive and reconstructive phase transitions and exhibits near-infrared emission at room temperature. Experimental and theoretical studies of CsSnI{sub 3} have been limited by the lack of detailed crystal structure characterization and chemical instability. Here we describe the synthesis of pure polymorphic crystals, the preparation of large crack-/bubble-free ingots, the refined single-crystal structures, and temperature-dependent charge transport and optical properties of CsSnI{sub 3}, coupled with ab initio first-principles density functional theory (DFT) calculations. In situ temperature-dependent single-crystal and synchrotron powder X-ray diffraction studies reveal the origin of polymorphous phase transitions of CsSnI{submore » 3}. The black orthorhombic form of CsSnI{sub 3} demonstrates one of the largest volumetric thermal expansion coefficients for inorganic solids. Electrical conductivity, Hall effect, and thermopower measurements on it show p-type metallic behavior with low carrier density, despite the optical band gap of 1.3 eV. Hall effect measurements of the black orthorhombic perovskite phase of CsSnI{sub 3} indicate that it is a p-type direct band gap semiconductor with carrier concentration at room temperature of {approx} 10{sup 17} cm{sup -3} and a hole mobility of {approx} 585 cm{sup 2} V{sup -1} s{sup -1}. The hole mobility is one of the highest observed among p-type semiconductors with comparable band gaps. Its powders exhibit a strong room-temperature near-IR emission spectrum at 950 nm. Remarkably, the values of the electrical conductivity and photoluminescence intensity increase with heat treatment. The DFT calculations show that the screened-exchange local density approximation-derived band gap agrees well with the experimentally measured band gap. Calculations of the formation energy of defects strongly suggest that the electrical and light emission properties possibly result from Sn defects in the crystal structure, which arise intrinsically. Thus, although stoichiometric CsSnI{sub 3} is a semiconductor, the material is prone to intrinsic defects associated with Sn vacancies. This creates highly mobile holes which cause the materials to appear metallic.« less

Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors

NASA Astrophysics Data System (ADS)

Cho, Yeongsu; Berkelbach, Timothy C.

2018-01-01

We present an electrostatic theory of band-gap renormalization in atomically thin semiconductors that captures the strong sensitivity to the surrounding dielectric environment. In particular, our theory aims to correct known band gaps, such as that of the three-dimensional bulk crystal. Combining our quasiparticle band gaps with an effective-mass theory of excitons yields environmentally sensitive optical gaps as would be observed in absorption or photoluminescence. For an isolated monolayer of MoS2, the presented theory is in good agreement with ab initio results based on the G W approximation and the Bethe-Salpeter equation. We find that changes in the electronic band gap are almost exactly offset by changes in the exciton binding energy such that the energy of the first optical transition is nearly independent of the electrostatic environment, rationalizing experimental observations.

Electron elevator: Excitations across the band gap via a dynamical gap state

DOE PAGES

Lim, Anthony; Foulkes, W. M. C.; Horsfield, A. P.; ...

2016-01-27

We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. Lastly, an analysis of the time dependence of the transition rates using coupled linear rate equations enables one of themore » excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.« less

Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State.

PubMed

Lim, A; Foulkes, W M C; Horsfield, A P; Mason, D R; Schleife, A; Draeger, E W; Correa, A A

2016-01-29

We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. An analysis of the time dependence of the transition rates using coupled linear rate equations enables one of the excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.

Sensitivity of gap symmetry to an incipient band: Application to iron based superconductors

NASA Astrophysics Data System (ADS)

Mishra, Vivek; Scalapino, Douglas; Maier, Thomas

Observation of high temperature superconductivity in iron-based superconductors with a submerged hole band has attracted wide interest. A spin fluctuation mediated pairing mechanism has been proposed as a possible explanation for the high transition temperatures observed in these systems. Here we discuss the importance of the submerged band in the context of the gap symmetry. We show that the incipient band can lead to an attractive pairing interaction and thus have significant effects on the pairing symmetry. We propose a framework to include the effect of the incipient band in the standard multi-orbital spin-fluctuation theories which are widely used for studying various iron-based superconductors. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy.

The investigation of Ce doped ZnO crystal: The electronic, optical and magnetic properties

NASA Astrophysics Data System (ADS)

Wen, Jun-Qing; Zhang, Jian-Min; Qiu, Ze-Gang; Yang, Xu; Li, Zhi-Qin

2018-04-01

The electronic, optical and magnetic properties of Ce doped ZnO crystal have been studied by using first principles method. The research of formation energies show that Ce doped ZnO is energetically stable, and the formation energies reduce from 6.25% to 12.5% for Ce molar percentage. The energy band is still direct band gap after Ce doped, and band gap increases with the increase of Cesbnd Ce distance. The Fermi level moves upward into conduction band and the DOS moves to lower energy with the increase of Ce concentration, which showing the properties of n-type semiconductor. The calculated optical properties imply that Ce doped causes a red-shift of absorption peaks, and enhances the absorption of the visible light. The transition from ferromagnetic to antiferromagnetic has been found in Ce doped ZnO.

Structural investigation and optical properties of xMnO2-25Li2O-5Na2O-15Bi2O3-(55-x)B2O3 glasses

NASA Astrophysics Data System (ADS)

Kulkarni, Shilpa; Jali, V. M.

2018-02-01

This paper deals with the new mixed system of glass compositions Lithium sodium bismuth borate glasses doped with transition metal oxide. The technique used to prepare a sample is by melt quenching. The XRD profile pattern confirmed the amorphous phase of the present glass system. The network structure is based on BO3, BO4 units and BiO6 octahedral units. No boroxyl rings observed in the glass structure. The addition of MnO2 in small amount does not account for major structural changes. Optical band gap lies in the range 1.89 to 0.96 eV. Density, molar volume, oxygen packing density, Tg, direct optical band gap and refractive index show anomalous behavior.

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

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

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

2016-05-06

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

On the Plasticity of Amorphous Solids

NASA Astrophysics Data System (ADS)

Lin, Jie

Mechanical behaviors of amorphous materials under external stress are central to various phenomena including earthquakes and landslides. Most amorphous materials possess a well defined yield stress when thermal fluctuations are negligible. Only when the shear stress is above the yield stress, the material can flow as a fluid, otherwise it deforms as a solid. There are accumulating evidences that the yielding transition between the flowing and solid phase is a critical phenomenon, and one evidence is the long ranged correlations of plastic strain during adiabatic shear. In spite of this, we still have not fully understood the associated critical exponents and their scaling relations. In the last decade, it has been widely accepted that the elementary rearrangements in amorphous solids are not well-defined topological defects as crystals, instead they are local irreversible rearrangements of a few particles, denoted as shear transformations. Because a single shear transformation changes the local arrangement of particles, it therefore generates an elastic stress field propagating over the whole system. The resulting changes in the local stresses in other regions of the system may in turn trigger more shear transformations. A central feature that complicates the yielding transition is the long range and anisotropic stress field generated by shear transformations. This peculiar interaction between shear transformations leads to two important characteristics: 1.the mechanical noises generated by plastic deformation are broadly distributed 2.those regions that are undergoing plastic deformation has equal probability to make other parts of the material to be more stable or more unstable, depending on the direction between them. In this thesis, we show that these two important factors leads to a singular density of shear transformations, P( x) xtheta at small x, where x is a local measure of stability, namely, the extra stress one needs to add locally to reach the elastic instabilities. We denote such a singular distribution as a pseudo gap, and the theta exponent as the pseudo gap exponent. The fact that the plastic avalanche rates, i.e., number of avalanches per unit strain, during quasi-static shear is not proportional to system size implies the existence of a finite pseudo gap exponent. Arguments based on stability against local perturbations lead to a lower bound of the pseudo gap exponents. In the flowing phase, we construct the scaling description of the yielding transition of soft amorphous solids at zero temperature. The yielding transition shares similarities with another well studied dynamic phase transition, the depinning transition where an elastic interface is driven in a disordered medium, however, there are also striking differences between them. Avalanches are fractal in the yielding transition, characterized by a fractal dimension smaller than the spatial dimension, while avalanches are compact with a fractal dimension, not smaller than the spatial dimension in the depinning transition. We make connections between the Herschel-Bulkley exponent characterizing the singularity of the flow curve near the yield stress, the extension and duration of the avalanches of plasticity, and the pseudo gap exponent. On the other hand, in the solid phase, the pseudo gap also plays a significant role as one increases the shear stress adiabatically. We point out the connection between the local slope of stress-strain curve in the transient state and mean avalanche sizes as the system approaches failure. We argue that the entire solid phase below the yield stress is critical as long as there is finite amount of plastic strain, and plasticity always involves system-spanning events because of the finite pseudo gap exponent. We use the elasto-plastic model, a mesoscopic approach, to verify our theoretical predictions and obtain satisfying results. Finally, a mean field description of plastic flow in amorphous solids are proposed and solved analytically. The mean field models captures the broad distribution of mechanical noise generated by plasticity, leading to a biased Levy flight behavior of local stresses, with the elastic instabilities as the absorbing boundary. The mean field model implies an upper critical dimension as dc = 4.

Understanding the shrinkage of optical absorption edges of nanostructured Cd-Zn sulphide films for photothermal applications

NASA Astrophysics Data System (ADS)

Hossain, Md. Sohrab; Kabir, Humayun; Rahman, M. Mahbubur; Hasan, Kamrul; Bashar, Muhammad Shahriar; Rahman, Mashudur; Gafur, Md. Abdul; Islam, Shariful; Amri, Amun; Jiang, Zhong-Tao; Altarawneh, Mohammednoor; Dlugogorski, Bogdan Z.

2017-01-01

In this article Cd-Zn sulphide thin films deposited onto soda lime glass substrates via chemical bath deposition (CBD) technique were investigated for photovoltaic applications. The synthesized films were investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), and ultraviolet visible (UV-vis) spectroscopic methodologies. A higher degree of crystallinity of the films was attained with the increase of film thicknesses. SEM micrographs exhibited a partial crystalline structure with a particulate appearance surrounded by the amorphous grain boundaries. The optical absorbance and absorption coefficient of the films were also enhanced significantly with the increase in film thicknesses. Optical band-gap analysis indicated a monotonic decrease in direct and indirect band-gaps with the increase of thicknesses of the films. The presence of direct and indirect transitional energies due to the exponential falling edges of the absorption curves may either be due to the lack of long-range order or to the existence of defects in the films. The declination of the optical absorption edges was also confirmed via Urbach energy and steepness parameters studies.

Parental Support and Youth Occupational Attainment: Help or Hindrance?

PubMed

Manzoni, Anna

2018-05-02

Although several concerns surround the transition to adulthood and youth increasingly rely on parental support, our knowledge about the implications of parental support for youth development and transition to adulthood is limited. This study fills this gap by conceptualizing development within a life course perspective that links social inequality and early life course transitions. It draws on a subsample of youth observed between age 18 and 28 from the Transition to Adulthood supplement of the Panel Study of Income Dynamics 2005-2015 (N = 7,542; 53% female, 51.3% white). Mixed-effects models reveal that the more direct financial transfers youth receive, the higher their occupational status. Yet, indirect financial support parents offer through co-residence shows the opposite pattern. Among youth receiving monetary transfers, college graduates have particularly high occupational status; however, among youth living with their parents, college graduates have the lowest occupational status. Although different types of parental support may equally act as safety nets, their divergent implications for youths' occupational attainment raise concerns about the reproduction and possible intensification of inequality during this developmental stage.

Double perovskites overtaking the single perovskites: A set of new solar harvesting materials with much higher stability and efficiency

NASA Astrophysics Data System (ADS)

Kangsabanik, Jiban; Sugathan, Vipinraj; Yadav, Anuradha; Yella, Aswani; Alam, Aftab

2018-05-01

Solar energy plays an important role in substituting the ever declining source of fossil fuel energy. Finding novel materials for solar cell applications is an integral part of photovoltaic research. Hybrid lead halide perovskites are one of, if not the most, well sought material in the photovoltaic research community. Its unique intrinsic properties, flexible synthesis techniques, and device fabrication architecture made the community highly buoyant over the past few years. Yet, there are two fundamental issues that still remain a concern, i.e., the stability in external environment and the toxicity due to Pb. This led to a search for alternative materials. More recently, double perovskite [A2B B'X6 (X =Cl, Br, I)] materials have emerged as a promising choice. Few experimental synthesis and high throughput computational studies have been carried out to check for promising candidates of this class. The main outcome from these studies, however, can essentially be summarized into two categories: (i) either they have an indirect band gap or (ii) a direct but large optical band gap, which is not suitable for solar devices. Here we propose a large set of stable double perovskite materials, Cs2B B 'X6 (X =Cl, Br, I), which show indirect to direct band gap transition via small Pb+2 doping at both B and B'sites. This is done by careful band (orbital) engineering using first-principles calculations. This kind of doping has helped to change the topology of the band structure, triggering an indirect to direct transition that is optically allowed. It also reduces the band gap significantly, bringing it well into the visible region. We also simulated the optical absorption spectra of these systems and found a comparable/higher absorption coefficient and solar efficiency with respect to the state of the art photovoltaic absorber material CH3NH3PbI3 . A number of materials Cs2(B0.75Pb0.25) (B0.75'Pb0.25) X6 (for various combinations of B ,B ', and X ) are found to be promising, some with better stability and solar efficiency than CH3NH3PbI3 , but with much less toxicity. Experimental characterization of one of the materials, Cs2(Ag0.75Pb0.25) (Bi0.75Pb0.25) Br6 , is carried out. The measured properties such as band gap and chemical stability agree fairly well with the theoretical predictions. This material is shown to be even more stable than CH3NH3PbI3 , both under sufficient humidity (˜55 %) and temperature (T =338 K), and hence has the potential to become a better candidate than the state of the art materials.

Connexins and Cadherin Crosstalk in the Pathogenesis of Prostate Cancer

DTIC Science & Technology

2014-09-01

not morphological changes during an epithelium -to-mesenchyme transition . J Cell Sci 118, 873-887 30. Cotrina, M. L., and Nedergaard, M. (2009...Rhett, J. M., Jourdan, J., and Gourdie, R. G. (2011) Connexin 43 connexon to gap junction transition is regulated by zonula occludens-1. Molecular...Release; Distribution Unlimited 13. SUPPLEMENTARY NOTES 14. ABSTRACT Gap junctions are conglomerations of cell-cell channels that are

Mind the Gap: Privileging Epistemic Access to Knowledge in the Transition from Leaving Certificate Music to Higher Education

ERIC Educational Resources Information Center

Moore, Gwen

2014-01-01

In recent years, music at Leaving Certificate level has come under increasing focus in media and higher education discourse as an easy option. In particular, scant attention has been paid to the musical knowledge and skills needed in the transition to higher music education within the Irish context. This paper addresses the perceived gap in…

WWC Review of the Report "Closing the Social-Class Achievement Gap: A Difference-Education Intervention Improves First-Generation Students' Academic Performance and All Students' College Transition." What Works Clearinghouse Single Study Review

ERIC Educational Resources Information Center

What Works Clearinghouse, 2014

2014-01-01

For the 2014 study, "Closing the Social-Class Achievement Gap: A Difference-Education Intervention Improves First-Generation Students' Academic Performance and All Students' College Transition," researchers investigated the impact of attending a moderated panel on incoming freshmen's adjustment to college. The panel featured…

HIDING IN THE SHADOWS: SEARCHING FOR PLANETS IN PRE-TRANSITIONAL AND TRANSITIONAL DISKS

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

Dobinson, Jack; Leinhardt, Zoë M.; Dodson-Robinson, Sarah E.

Transitional and pre-transitional disks can be explained by a number of mechanisms. This work aims to find a single observationally detectable marker that would imply a planetary origin for the gap and, therefore, indirectly indicate the presence of a young planet. N-body simulations were conducted to investigate the effect of an embedded planet of one Jupiter mass on the production of instantaneous collisional dust derived from a background planetesimal disk. Our new model allows us to predict the dust distribution and resulting observable markers with greater accuracy than previous works. Dynamical influences from a planet on a circular orbit aremore » shown to enhance dust production in the disk interior and exterior to the planet orbit, while removing planetesimals from the orbit itself, creating a clearly defined gap. In the case of an eccentric planet, the gap opened by the planet is not as clear as the circular case, but there is a detectable asymmetry in the dust disk.« less

Theoretical studies on effective metal-to-ligand charge transfer characteristics of novel ruthenium dyes for dye sensitized solar cells.

PubMed

Wang, Huei-Tang; Taufany, Fadlilatul; Nachimuthu, Santhanamoorthi; Jiang, Jyh-Chiang

2014-05-01

The development of ruthenium dye-sensitizers with highly effective metal-to-ligand charge transfer (MLCT) characteristics and narrowed transition energy gaps are essential for the new generation of dye-sensitized solar cells. Here, we designed a novel anchoring ligand by inserting the cyanovinyl-branches inside the anchoring ligands of selected highly efficient dye-sensitizers and studied their intrinsic optical properties using theoretical methods. Our calculated results show that the designed ruthenium dyes provide good performances as sensitizers compared to the selected efficient dyes, because of their red-shift in the UV-visible absorption spectra with an increase in the absorption intensity, smaller energy gaps and thereby enhancing MLCT transitions. We found that, the designed anchoring ligand acts as an efficient "electron-acceptor" which boosts electron-transfer from a -NCS ligand to this ligand via a Ru-bridge, thus providing a way to lower the transition energy gap and enhance the MLCT transitions.

High-Pressure Study of Perovskite-Like Organometal Halide: Band-Gap Narrowing and Structural Evolution of [NH 3 -(CH 2 ) 4 -NH 3 ]CuCl 4

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

Li, Qian; Li, Shourui; Wang, Kai

Searching for nontoxic and stable perovskite-like alternatives to lead-based halide perovskites for photovoltaic application is one urgent issue in photoelectricity science. Such exploration inevitably requires an effective method to accurately control both the crystalline and electronic structures. This work applies high pressure to narrow the band gap of perovskite-like organometal halide, [NH 3-(CH 2) 4-NH 3]CuCl 4 (DABCuCl4), through the crystalline-structure tuning. The band gap keeps decreasing below ~12 GPa, involving the shrinkage and distortion of CuCl 4 2–. Inorganic distortion determines both band-gap narrowing and phase transition between 6.4 and 10.5 GPa, and organic chains function as the springmore » cushion, evidenced by the structural transition at ~0.8 GPa. The supporting function of organic chains protects DABCuCl 4 from phase transition and amorphization, which also contributes to the sustaining band-gap narrowing. This work combines crystal structure and macroscopic property together and offers new strategies for the further design and synthesis of hybrid perovskite-like alternatives.« less

Tidal stresses and energy gaps in microstate geometries

NASA Astrophysics Data System (ADS)

Tyukov, Alexander; Walker, Robert; Warner, Nicholas P.

2018-02-01

We compute energy gaps and study infalling massive geodesic probes in the new families of scaling, microstate geometries that have been constructed recently and for which the holographic duals are known. We find that in the deepest geometries, which have the lowest energy gaps, the geodesic deviation shows that the stress reaches the Planck scale long before the probe reaches the cap of the geometry. Such probes must therefore undergo a stringy transition as they fall into microstate geometry. We discuss the scales associated with this transition and comment on the implications for scrambling in microstate geometries.

Data on energy-band-gap characteristics of composite nanoparticles obtained by modification of the amorphous potassium polytitanate in aqueous solutions of transition metal salts

PubMed Central

Zimnyakov, D.A.; Sevrugin, A.V.; Yuvchenko, S.A.; Fedorov, F.S.; Tretyachenko, E.V.; Vikulova, M.A.; Kovaleva, D.S.; Krugova, E.Y.; Gorokhovsky, A.V.

2016-01-01

Here we present the data on the energy-band-gap characteristics of composite nanoparticles produced by modification of the amorphous potassium polytitanate in aqueous solutions of different transition metal salts. Band gap characteristics are investigated using diffuse reflection spectra of the obtained powders. Calculated logarithmic derivative quantity of the Kubelka–Munk function reveals a presence of local maxima in the regions 0.5–1.5 eV and 1.6–3.0 eV which correspond to band gap values of the investigated materials. The values might be related to the constituents of the composite nanoparticles and intermediate products of their chemical interaction. PMID:27158654

Energy splitting of excitons in gapped Dirac materials

NASA Astrophysics Data System (ADS)

Xiao, Di; Zhou, Jianhui; Shan, Wenyu; Yao, Wang; Okamoto, Satoshi

2015-03-01

We show that there is an energy splitting between excitons with opposite angular momentum in gapped Dirac materials, such as monolayers of transition metal dichalcogenides and gapped surface states of topological insulators. This splitting can be traced back to the chiral nature of Dirac electrons. We also discuss the optical selection rule of excitons in gap Dirac materials and clarify the relationship to its single-particle counterpart. A simple estimation of the splitting (~ 10 meV) in monolayer transition metal dichalcogenides is given . Our result reveals the limitation of the venerable hydrogenic model of excitons, and highlights the importance of the Berry phase in This work is supported by DOE (No. DE-SC0012509), and AFOSR (No. FA9550-14-1-0277).

Enhanced electronic and magnetic properties by functionalization of monolayer GaS via substitutional doping and adsorption

NASA Astrophysics Data System (ADS)

Rahman, Altaf Ur; Rahman, Gul; Kratzer, Peter

2018-05-01

The structural, electronic, and magnetic properties of two-dimensional (2D) GaS are investigated using density functional theory (DFT). After confirming that the pristine 2D GaS is a non-magnetic, indirect band gap semiconductor, we consider N and F as substitutional dopants or adsorbed atoms. Except for N substituting for Ga (NGa), all considered cases are found to possess a magnetic moment. Fluorine, both in its atomic and molecular form, undergoes a highly exothermic reaction with GaS. Its site preference (FS or FGa) as substitutional dopant depends on Ga-rich or S-rich conditions. Both for FGa and F adsorption at the Ga site, a strong F–Ga bond is formed, resulting in broken bonds within the GaS monolayer. As a result, FGa induces p-type conductivity in GaS, whereas FS induces a dispersive, partly occupied impurity band about 0.5 e below the conduction band edge of GaS. Substitutional doping with N at both the S and the Ga site is exothermic when using N atoms, whereas only the more favourable site under the prevailing conditions can be accessed by the less reactive N2 molecules. While NGa induces a deep level occupied by one electron at 0.5 eV above the valence band, non-magnetic NS impurities in sufficiently high concentrations modify the band structure such that a direct transition between N-induced states becomes possible. This effect can be exploited to render monolayer GaS a direct-band gap semiconductor for optoelectronic applications. Moreover, functionalization by N or F adsorption on GaS leads to in-gap states with characteristic transition energies that can be used to tune light absorption and emission. These results suggest that GaS is a good candidate for design and construction of 2D optoelectronic and spintronics devices.

Enhanced electronic and magnetic properties by functionalization of monolayer GaS via substitutional doping and adsorption.

PubMed

Ur Rahman, Altaf; Rahman, Gul; Kratzer, Peter

2018-05-16

The structural, electronic, and magnetic properties of two-dimensional (2D) GaS are investigated using density functional theory (DFT). After confirming that the pristine 2D GaS is a non-magnetic, indirect band gap semiconductor, we consider N and F as substitutional dopants or adsorbed atoms. Except for N substituting for Ga (N Ga ), all considered cases are found to possess a magnetic moment. Fluorine, both in its atomic and molecular form, undergoes a highly exothermic reaction with GaS. Its site preference (F S or F Ga ) as substitutional dopant depends on Ga-rich or S-rich conditions. Both for F Ga and F adsorption at the Ga site, a strong F-Ga bond is formed, resulting in broken bonds within the GaS monolayer. As a result, F Ga induces p-type conductivity in GaS, whereas F S induces a dispersive, partly occupied impurity band about 0.5 e below the conduction band edge of GaS. Substitutional doping with N at both the S and the Ga site is exothermic when using N atoms, whereas only the more favourable site under the prevailing conditions can be accessed by the less reactive N 2 molecules. While N Ga induces a deep level occupied by one electron at 0.5 eV above the valence band, non-magnetic N S impurities in sufficiently high concentrations modify the band structure such that a direct transition between N-induced states becomes possible. This effect can be exploited to render monolayer GaS a direct-band gap semiconductor for optoelectronic applications. Moreover, functionalization by N or F adsorption on GaS leads to in-gap states with characteristic transition energies that can be used to tune light absorption and emission. These results suggest that GaS is a good candidate for design and construction of 2D optoelectronic and spintronics devices.

Stabilizing benzene-like planar N6 rings to form a single atomic honeycomb BeN3 sheet with high carrier mobility.

PubMed

Li, Xiaoyin; Zhang, Shunhong; Zhang, Cunzhi; Wang, Qian

2018-01-18

It is a longstanding quest to use the planar N 6 ring as a structural unit to build stable atomic sheets. However, unlike C 6 H 6 , the neutral N 6 ring is unstable due to the strong repulsion of the lone-pair of electrons. Using first-principles calculations and the global structure search method, we show that the N 6 unit can be stabilized by the linkage of Be atoms, forming a h-BeN 3 honeycomb monolayer, in which the geometry and the π-molecular orbitals of the N 6 rings are well kept. This sheet is not only energetically, dynamically and thermally stable, but also can withstand high temperatures up to 1000 K. Band structure calculation combined with a group theory analysis and a tight-binding model uncover that h-BeN 3 has a π-band dominated band structure with an indirect band gap of 1.67 eV. While it possesses a direct band gap of 2.07 eV at the Γ point lying in the photon energy region of visual light, its interband dipole transition is symmetrically allowed so that electrons can be excited by photons free of phonons. Based on deformation potential theory, a systematic study of the transport properties reveals that the h-BeN 3 sheet possesses a high carrier mobility of ∼10 3 cm 2 V -1 s -1 , superior to the extensively studied transition metal dichalcogenide monolayers. We further demonstrate that this sheet can be rolled up into either zigzag or armchair nanotubes. These nanotubes are also dynamically stable, and are all direct band gap semiconductors with carrier mobility comparable to that of their 2D counterparts, regardless of their chirality and diameter. The robust stability and novel electronic and transport properties of the h-BeN 3 sheet and its tubular derivatives endow them with great potential for applications in nanoelectronic devices.

A multi-state model examining patterns of transitioning among states of engagement in care in HIV-positive individuals initiating combination antiretroviral therapy

PubMed Central

Gillis, Jennifer; Loutfy, Mona; Bayoumi, Ahmed M; Antoniou, Tony; Burchell, Ann N; Walmsley, Sharon; Cooper, Curtis; Klein, Marina B.; Machouf, Nima; Montaner, Julio SG; Rourke, Sean B.; Tsoukas, Christos; Hogg, Robert; Raboud, Janet

2016-01-01

Background Common measures of engagement in care fail to acknowledge that infrequent follow-up may occur either intentionally among patients with sustained virologic suppression or unintentionally among patients with poor clinical outcomes. Methods Five states of HIV care were defined within the Canadian Observational Cohort (CANOC) Collaboration following combination antiretroviral therapy (cART) initiation: (1) guidelines HIV care (suppressed viral load (VL) and CD4 >200 cells/mm3, no gaps in cART >3 months, no gaps in CD4 or VL measurement >6 months), (2) successful care with decreased frequency of follow-up (as above except no gaps in CD4 or VL measurement >12 months), (3) suboptimal care (unsuppressed VL, CD4<200 cells/mm3 on 2 consecutive visits, ≥1 gap in cART >3 months, or ≥1 gap in CD4 or VL measurement >12 months), (4) loss to follow-up (no contact for 18 months), and (5) death. Multi-state models were used to determine factors associated with transitioning among states. Results 7810 participants were included. Younger age, female gender, Indigenous ethnicity and people who have injected drugs (PWID) were associated with increased likelihoods of transitioning from guidelines to suboptimal care and decreased likelihoods of transitioning from suboptimal to guidelines care. One-fifth of individuals in successful, decreased follow-up after cART initiation (mean sojourn time 0.72 years) were in suboptimal care in subsequent years. Conclusions Using routinely collected data, we have developed a flexible framework that characterizes patient transitions among states of HIV clinical care. We have demonstrated that multi-state models provide a useful approach to supplement ‘cascade of care’ work. PMID:27851713

Disorder-induced transitions in resonantly driven Floquet topological insulators

NASA Astrophysics Data System (ADS)

Titum, Paraj; Lindner, Netanel H.; Refael, Gil

2017-08-01

We investigate the effects of disorder in Floquet topological insulators (FTIs) occurring in semiconductor quantum wells. Such FTIs are induced by resonantly driving a transition between the valence and conduction bands. We show that when disorder is added, the topological nature of such FTIs persists as long as there is a mobility gap at the resonant quasienergy. For strong enough disorder, this gap closes and all the states become localized as the system undergoes a transition to a trivial insulator. Interestingly, the effects of disorder are not necessarily adverse: we show that in the same quantum well, disorder can also induce a transition from a trivial to a topological system, thereby establishing a Floquet topological Anderson insulator (FTAI). We identify the conditions on the driving field necessary for observing such a transition.

The interface between child/adolescent and adult mental health services: results from a European 28-country survey.

PubMed

Signorini, Giulia; Singh, Swaran P; Marsanic, Vlatka Boricevic; Dieleman, Gwen; Dodig-Ćurković, Katarina; Franic, Tomislav; Gerritsen, Suzanne E; Griffin, James; Maras, Athanasios; McNicholas, Fiona; O'Hara, Lesley; Purper-Ouakil, Diane; Paul, Moli; Russet, Frederick; Santosh, Paramala; Schulze, Ulrike; Street, Cathy; Tremmery, Sabine; Tuomainen, Helena; Verhulst, Frank; Warwick, Jane; de Girolamo, Giovanni

2018-04-01

Transition-related discontinuity of care is a major socioeconomic and societal challenge for the EU. The current service configuration, with distinct Child and Adolescent Mental Health (CAMHS) and Adult Mental Health Services (AMHS), is considered a weak link where the care pathway needs to be most robust. Our aim was to delineate transitional policies and care across Europe and to highlight current gaps in care provision at the service interface. An online mapping survey was conducted across all 28 European Countries using a bespoke instrument: The Standardized Assessment Tool for Mental Health Transition (SATMEHT). The survey was directed at expert(s) in each of the 28 EU countries. The response rate was 100%. Country experts commonly (12/28) reported that between 25 and 49% of CAMHS service users will need transitioning to AMHS. Estimates of the percentage of AMHS users aged under 30 years who had has previous contact with CAMHS were most commonly in the region 20-30% (33% on average).Written policies for managing the interface were available in only four countries and half (14/28) indicated that no transition support services were available. This is the first survey of CAMHS transitional policies and care carried out at a European level. Policymaking on transitional care clearly needs special attention and further elaboration. The Milestone Study on transition should provide much needed data on transition processes and outcomes that could form the basis for improving policy and practice in transitional care.

Enhancement of superconducting transition temperature by pointlike disorder and anisotropic energy gap in FeSe single crystals

DOE PAGES

Teknowijoyo, S.; Cho, K.; Tanatar, M. A.; ...

2016-08-29

A highly anisotropic superconducting gap is found in single crystals of FeSe by studying the London penetration depth Δλ measured down to 50 mK in samples before and after 2.5 MeV electron irradiation. The gap minimum increases with introduced pointlike disorder, indicating the absence of symmetry-imposed nodes. Surprisingly, the superconducting transition temperature T c increases by 0.4 K from T c0 ≈ 8.8 K while the structural transition temperature T s decreases by 0.9 K from T s0 ≈ 91.2 K after electron irradiation. Finally, we discuss several explanations for the T c enhancement and propose that local strengthening ofmore » the pair interaction by irradiation-induced Frenkel defects most likely explains the phenomenon.« less

Critical temperature for shape transition in hot nuclei within covariant density functional theory

NASA Astrophysics Data System (ADS)

Zhang, W.; Niu, Y. F.

2018-05-01

Prompted by the simple proportional relation between critical temperature for pairing transition and pairing gap at zero temperature, we investigate the relation between critical temperature for shape transition and ground-state deformation by taking even-even Cm-304286 isotopes as examples. The finite-temperature axially deformed covariant density functional theory with BCS pairing correlation is used. Since the Cm isotopes are the newly proposed nuclei with octupole correlations, we studied in detail the free energy surface, the Nilsson single-particle (s.p.) levels, and the components of s.p. levels near the Fermi level in 292Cm. Through this study, the formation of octupole equilibrium is understood by the contribution coming from the octupole driving pairs with Ω [N ,nz,ml] and Ω [N +1 ,nz±3 ,ml] for single-particle levels near the Fermi surfaces as it provides a good manifestation of the octupole correlation. Furthermore, the systematics of deformations, pairing gaps, and the specific heat as functions of temperature for even-even Cm-304286 isotopes are discussed. Similar to the relation between the critical pairing transition temperature and the pairing gap at zero temperature Tc=0.6 Δ (0 ) , a proportional relation between the critical shape transition temperature and the deformation at zero temperature Tc=6.6 β (0 ) is found for both octupole shape transition and quadrupole shape transition for the isotopes considered.

Transmission Spectra of HgTe-Based Quantum Wells and Films in the Far-Infrared Range

NASA Astrophysics Data System (ADS)

Savchenko, M. L.; Vasil'ev, N. N.; Yaroshevich, A. S.; Kozlov, D. A.; Kvon, Z. D.; Mikhailov, N. N.; Dvoretskii, S. A.

2018-04-01

Strained 80-nm-thick HgTe films belong to a new class of materials referred to as three-dimensional topological insulators (i.e., they have a bulk band gap and spin-nondegenerate surface states). Though there are a number of studies devoted to analysis of the properties of surface states using both transport and magnetooptical techniques in the THz range, the information about direct optical transitions between bulk and surface bands in these systems has not been reported. This study is devoted to the analysis of transmission and reflection spectra of HgTe films of different thicknesses in the far-infrared range recorded in a wide temperature range in order to detect the above interband transitions. A peculiarity at 15 meV, which is sensitive to a change in the temperature, is observed in spectra of both types. Detailed analysis of the data obtained revealed that this feature is related to absorption by HgTe optical phonons, while the interband optical transitions are suppressed.

Electromechanics in MoS2 and WS2: nanotubes vs. monolayers

PubMed Central

Ghorbani-Asl, Mahdi; Zibouche, Nourdine; Wahiduzzaman, Mohammad; Oliveira, Augusto F.; Kuc, Agnieszka; Heine, Thomas

2013-01-01

The transition-metal dichalcogenides (TMD) MoS2 and WS2 show remarkable electromechanical properties. Strain modifies the direct band gap into an indirect one, and substantial strain even induces an semiconductor-metal transition. Providing strain through mechanical contacts is difficult for TMD monolayers, but state-of-the-art for TMD nanotubes. We show using density-functional theory that similar electromechanical properties as in monolayer and bulk TMDs are found for large diameter TMD single- (SWNT) and multi-walled nanotubes (MWNTs). The semiconductor-metal transition occurs at elongations of 16%. We show that Raman signals of the in-plane and out-of-plane lattice vibrations depend significantly and linearly on the strain, showing that Raman spectroscopy is an excellent tool to determine the strain of the individual nanotubes and hence monitor the progress of nanoelectromechanical experiments in situ. TMD MWNTs show twice the electric conductance compared to SWNTs, and each wall of the MWNTs contributes to the conductance proportional to its diameter. PMID:24129919

Valley excitons in two-dimensional semiconductors

DOE PAGES

Yu, Hongyi; Cui, Xiaodong; Xu, Xiaodong; ...

2014-12-30

Monolayer group-VIB transition metal dichalcogenides have recently emerged as a new class of semiconductors in the two-dimensional limit. The attractive properties include: the visible range direct band gap ideal for exploring optoelectronic applications; the intriguing physics associated with spin and valley pseudospin of carriers which implies potentials for novel electronics based on these internal degrees of freedom; the exceptionally strong Coulomb interaction due to the two-dimensional geometry and the large effective masses. The physics of excitons, the bound states of electrons and holes, has been one of the most actively studied topics on these two-dimensional semiconductors, where the excitons exhibitmore » remarkably new features due to the strong Coulomb binding, the valley degeneracy of the band edges, and the valley dependent optical selection rules for interband transitions. Here we give a brief overview of the experimental and theoretical findings on excitons in two-dimensional transition metal dichalcogenides, with focus on the novel properties associated with their valley degrees of freedom.« less

Optical and Excitonic Properties of Atomically Thin Transition-Metal Dichalcogenides

NASA Astrophysics Data System (ADS)

Berkelbach, Timothy C.; Reichman, David R.

2018-03-01

Starting with the isolation of a single sheet of graphene, the study of layered materials has been one of the most active areas of condensed matter physics, chemistry, and materials science. Single-layer transition-metal dichalcogenides are direct-gap semiconducting analogs of graphene that exhibit novel electronic and optical properties. These features provide exciting opportunities for the discovery of both new fundamental physical phenomena as well as innovative device platforms. Here, we review the progress associated with the creation and use of a simple microscopic framework for describing the optical and excitonic behavior of few-layer transition-metal dichalcogenides, which is based on symmetry, band structure, and the effective interactions between charge carriers in these materials. This approach provides an often quantitative account of experiments that probe the physics associated with strong electron–hole interactions in these quasi two-dimensional systems and has been successfully employed by many groups to both describe and predict emergent excitonic behavior in these layered semiconducting systems.

Health Care Transition in Patients With Type 1 Diabetes

PubMed Central

Garvey, Katharine C.; Wolpert, Howard A.; Rhodes, Erinn T.; Laffel, Lori M.; Kleinman, Ken; Beste, Margaret G.; Wolfsdorf, Joseph I.; Finkelstein, Jonathan A.

2012-01-01

OBJECTIVE To examine characteristics of the transition from pediatric to adult care in emerging adults with type 1 diabetes and evaluate associations between transition characteristics and glycemic control. RESEARCH DESIGN AND METHODS We developed and mailed a survey to evaluate the transition process in emerging adults with type 1 diabetes, aged 22 to 30 years, receiving adult diabetes care at a single center. Current A1C data were obtained from the medical record. RESULTS The response rate was 53% (258 of 484 eligible). The mean transition age was 19.5 ± 2.9 years, and 34% reported a gap >6 months in establishing adult care. Common reasons for transition included feeling too old (44%), pediatric provider suggestion (41%), and college (33%). Less than half received an adult provider recommendation and <15% reported having a transition preparation visit or receiving written transition materials. The most recent A1C was 8.1 ± 1.3%. Respondents who felt mostly/completely prepared for transition had lower likelihood of a gap >6 months between pediatric and adult care (adjusted odds ratio 0.47 [95% CI 0.25–0.88]). In multivariate analysis, pretransition A1C (β = 0.49, P < 0.0001), current age (β = −0.07, P = 0.03), and education (β = −0.55, P = 0.01) significantly influenced current posttransition A1C. There was no independent association of transition preparation with posttransition A1C (β = −0.17, P = 0.28). CONCLUSIONS Contemporary transition practices may help prevent gaps between pediatric and adult care but do not appear to promote improvements in A1C. More robust preparation strategies and handoffs between pediatric and adult care should be evaluated. PMID:22699289

Effect of ferromagnetic exchange field on band gap and spin polarisation of graphene on a TMD substrate

NASA Astrophysics Data System (ADS)

Goswami, Partha

2018-03-01

We calculate the electronic band dispersion of graphene monolayer on a two-dimensional transition metal dichalcogenide substrate (GrTMD) around K and K^' } points by taking into account the interplay of the ferromagnetic impurities and the substrate-induced interactions. The latter are (strongly enhanced) intrinsic spin-orbit interaction (SOI), the extrinsic Rashba spin-orbit interaction (RSOI) and the one related to the transfer of the electronic charge from graphene to substrate. We introduce exchange field ( M) in the Hamiltonian to take into account the deposition of magnetic impurities on the graphene surface. The cavalcade of the perturbations yield particle-hole symmetric band dispersion with an effective Zeeman field due to the interplay of the substrate-induced interactions with RSOI as the prime player. Our graphical analysis with extremely low-lying states strongly suggests the following: The GrTMDs, such as graphene on WY2, exhibit (direct) band-gap narrowing / widening (Moss-Burstein (MB) gap shift) including the increase in spin polarisation ( P) at low temperature due to the increase in the exchange field ( M) at the Dirac points. The polarisation is found to be electric field tunable as well. Finally, there is anticrossing of non-parabolic bands with opposite spins, the gap closing with same spins, etc. around the Dirac points. A direct electric field control of magnetism at the nanoscale is needed here. The magnetic multiferroics, like BiFeO3 (BFO), are useful for this purpose due to the coupling between the magnetic and electric order parameters.

Autogenerator of beams of charged particles

DOEpatents

Adler, Richard J.; Mazarakis, Michael G.; Miller, Robert B.; Shope, Steven L.; Smith, David L.

1986-01-01

An autogenerating apparatus provides secondary intense relativistic current beam pulses in response to an injected beam pulse. One or more electromagnetic energy storage devices are provided in conjunction with gaps along a beam propagation path for the injected beam pulse. For injected beam pulses which are no longer than double the transit time of electromagnetic waves within the storage devices (which may be resonant cavities), distinct secondary beam pulses are generated by each of the energy storage devices. The beam propagation path, together with the one or more gaps provided therein, operates as a pulse forming transmission line cavity, in which the separate cavities associated with the gaps provide delays for electromagnetic waves generated at the gaps. After doubly traversing the cavity, the electromagnetic waves cause the gap to generate the secondary beam pulses, which are thus delayed by a time interval equal to the double transit time for the induced wave within the cavity.

Autogenerator of beams of charged particles

DOEpatents

Adler, R.J.; Mazarakis, M.G.; Miller, R.M.; Shope, S.L.; Smith, D.L.

1983-10-31

An autogenerating apparatus provides secondary intense relativistic current beam pulses in response to an injected beam pulse. One or more electromagnetic energy storage devices are provided in conjunction with gaps along a beam propagation path for the injected beam pulse. For injected beam pulses which are no longer than double the transit time of electromagnetic waves within the storage devices (which may be resonant cavities), distinct secondary beam pulses are generated by each of the energy storage devices. The beam propagation path, together with the one or more gaps provided therein, operates as a pulse forming transmission line cavity, in which the separate cavities associated with the gaps provide delays for electromagnetic waves generated at the gaps. After doubly traversing the cavity, the electromagnetic waves cause the gap to generate the secondary beam pulses, which are thus delayed by a time interval equal to the double transit time for the induced wave within the cavity.

Emergence of topological semimetals in gap closing in semiconductors without inversion symmetry.

PubMed

Murakami, Shuichi; Hirayama, Motoaki; Okugawa, Ryo; Miyake, Takashi

2017-05-01

A band gap for electronic states in crystals governs various properties of solids, such as transport, optical, and magnetic properties. Its estimation and control have been an important issue in solid-state physics. The band gap can be controlled externally by various parameters, such as pressure, atomic compositions, and external field. Sometimes, the gap even collapses by tuning some parameter. In the field of topological insulators, this closing of the gap at a time-reversal invariant momentum indicates a band inversion, that is, it leads to a topological phase transition from a normal insulator to a topological insulator. We show, through an exhaustive study on possible space groups, that the gap closing in inversion-asymmetric crystals is universal, in the sense that the gap closing always leads either to a Weyl semimetal or to a nodal-line semimetal. We consider three-dimensional spinful systems with time-reversal symmetry. The space group of the system and the wave vector at the gap closing uniquely determine which possibility occurs and where the gap-closing points or lines lie in the wave vector space after the closing of the gap. In particular, we show that an insulator-to-insulator transition never happens, which is in sharp contrast to inversion-symmetric systems.

Connexins and Cadherin Cross-talk in the Pathogenesis of Prostate Cancer

DTIC Science & Technology

2014-09-01

switching: essential for behavioral but not morphological changes during an epithelium -to-mesenchyme transition . J Cell Sci 118, 873-887 30. Cotrina, M...Jourdan, J., and Gourdie, R. G. (2011) Connexin 43 connexon to gap junction transition is regulated by zonula occludens-1. Molecular biology of the cell...Public Release; Distribution Unlimited 13. SUPPLEMENTARY NOTES 14. ABSTRACT Gap junctions are conglomerations of cell-cell channels that are formed

Impact of tip-gap size and periodicity on turbulent transition

NASA Astrophysics Data System (ADS)

Pogorelov, Alexej; Meinke, Matthias; Schroeder, Wolfgang

2015-11-01

Large-Eddy Simulations of the flow field in an axial fan are performed at a Reynolds number of 936.000 based on the diameter and the rotational speed of the casing wall. A finite-volume flow solver based on a conservative Cartesian cut-cell method is used to solve the unsteady compressible Navier-Stokes equations. Computations are performed at a flow rate coefficient of 0.165 and a tip-gap size of s/D =0.01, for a 72 degrees fan section resolving only one out of five blades and a full fan resolving all five blades to investigate the impact of the periodic boundary condition. Furthermore, a grid convergence study is performed using four computational grids. Results of the flow field are analyzed for the computational grid with 1 billion cells. An interaction of the turbulent wake, generated by the tip-gap vortex, with the downstream blade, is observed, which leads to a cyclic transition with high pressure fluctuations on the suction side of the blade. Two dominant frequencies are identified which perfectly match with the characteristic frequencies in the experimental sound power level such that their physical origin is explained. A variation of the tip-gap size alters the transition on the suction side, i.e., no cyclic transition is observed.

Switching dynamics of the spin density wave in superconducting CeCoIn 5

DOE PAGES

Kim, Duk Y.; Lin, Shi-Zeng; Bauer, Eric D.; ...

2017-06-21

The ordering wave vector Q of a spin density wave (SDW), stabilized within the superconducting state of CeCoIn 5 in a high magnetic field, has been shown to be hypersensitive to the direction of the field. Q can be switched from a nodal direction of the d-wave superconducting order parameter to a perpendicular node by rotating the in-plane magnetic field through the antinodal direction within a fraction of a degree. In this paper, we address the dynamics of the switching of Q. We use a free-energy functional based on the magnetization density, which describes the condensation of magnetic fluctuations ofmore » nodal quasiparticles, and show that the switching process includes closing of the SDW gap at one Q and then reopening the SDW gap at another Q perpendicular to the first one. The magnetic field couples to Q through the spin-orbit interaction. Our calculations show that the width of the hysteretic region of switching depends linearly on the deviation of magnetic field from the critical field associated with the SDW transition, consistent with our thermal conductivity measurements. Finally, the agreement between theory and experiment supports our scenario of the hypersensitivity of the Q phase on the direction of magnetic field, as well as the magnon condensation as the origin of the SDW phase in CeCoIn 5.« less

Polarization of stacking fault related luminescence in GaN nanorods

NASA Astrophysics Data System (ADS)

Pozina, G.; Forsberg, M.; Serban, E. A.; Hsiao, C.-L.; Junaid, M.; Birch, J.; Kaliteevski, M. A.

2017-01-01

Linear polarization properties of light emission are presented for GaN nanorods (NRs) grown along [0001] direction on Si(111) substrates by direct-current magnetron sputter epitaxy. The near band gap photoluminescence (PL) measured at low temperature for a single NR demonstrated an excitonic line at ˜3.48 eV and the stacking faults (SFs) related transition at ˜3.43 eV. The SF related emission is linear polarized in direction perpendicular to the NR growth axis in contrast to a non-polarized excitonic PL. The results are explained in the frame of the model describing basal plane SFs as polymorphic heterostructure of type II, where anisotropy of chemical bonds at the interfaces between zinc blende and wurtzite GaN subjected to in-built electric field is responsible for linear polarization parallel to the interface planes.

Experimental and first-principles calculation study of the pressure-induced transitions to a metastable phase in GaP O4 and in the solid solution AlP O4-GaP O4

NASA Astrophysics Data System (ADS)

Angot, E.; Huang, B.; Levelut, C.; Le Parc, R.; Hermet, P.; Pereira, A. S.; Aquilanti, G.; Frapper, G.; Cambon, O.; Haines, J.

2017-08-01

α -Quartz-type gallium phosphate and representative compositions in the AlP O4-GaP O4 solid solution were studied by x-ray powder diffraction and absorption spectroscopy, Raman scattering, and by first-principles calculations up to pressures of close to 30 GPa. A phase transition to a metastable orthorhombic high-pressure phase along with some of the stable orthorhombic C m c m CrV O4 -type material is found to occur beginning at 9 GPa at 320 ∘C in GaP O4 . In the case of the AlP O4-GaP O4 solid solution at room temperature, only the metastable orthorhombic phase was obtained above 10 GPa. The possible crystal structures of the high-pressure forms of GaP O4 were predicted from first-principles calculations and the evolutionary algorithm USPEX. A predicted orthorhombic structure with a P m n 21 space group with the gallium in sixfold and phosphorus in fourfold coordination was found to be in the best agreement with the combined experimental data from x-ray diffraction and absorption and Raman spectroscopy. This method is found to very powerful to better understand competition between different phase transition pathways at high pressure.

Metal-insulator transition in NiS2-xSex

NASA Astrophysics Data System (ADS)

Kuneš, J.; Baldassarre, L.; Schächner, B.; Rabia, K.; Kuntscher, C. A.; Korotin, Dm. M.; Anisimov, V. I.; McLeod, J. A.; Kurmaev, E. Z.; Moewes, A.

2010-01-01

The origin of the gap in NiS2 as well as the pressure- and doping-induced metal-insulator transition in the NiS2-xSex solid solutions are investigated both theoretically using the first-principles band structures combined with the dynamical mean-field approximation for the electronic correlations and experimentally by means of infrared and x-ray absorption spectroscopies. The bonding-antibonding splitting in the S-S (Se-Se) dimer is identified as the main parameter controlling the size of the charge gap. The implications for the metal-insulator transition driven by pressure and Se doping are discussed.

Can the oscillator strength of the quantum dot bandgap transition exceed unity?

NASA Astrophysics Data System (ADS)

Hens, Z.

2008-10-01

We discuss the apparent contradiction between the Thomas-Reiche-Kuhn sum rule for oscillator strengths and recent experimental data on the oscillator strength of the band gap transition of quantum dots. Starting from two simple single electron model systems, we show that the sum rule does not limit this oscillator strength to values below unity, or below the number of electrons in the highest occupied single electron state. The only upper limit the sum rule imposes on the oscillator strength of the quantum dot band gap transition is the total number of electrons in the quantum dot.

A room-temperature-operated Si LED with β-FeSi2 nanocrystals in the active layer: μW emission power at 1.5 μm

NASA Astrophysics Data System (ADS)

Shevlyagin, A. V.; Goroshko, D. L.; Chusovitin, E. A.; Balagan, S. A.; Dotsenko, S. A.; Galkin, K. N.; Galkin, N. G.; Shamirzaev, T. S.; Gutakovskii, A. K.; Latyshev, A. V.; Iinuma, M.; Terai, Y.

2017-03-01

This article describes the development of an Si-based light-emitting diode with β-FeSi2 nanocrystals embedded in the active layer. Favorable epitaxial conditions allow us to obtain a direct band gap type-I band alignment Si/β-FeSi2 nanocrystals/Si heterostructure with optical transition at a wavelength range of 1500-1550 nm at room temperature. Transmission electron microscopy data reveal strained, defect-free β-FeSi2 nanocrystals of diameter 6 and 25 nm embedded in the Si matrix. Intense electroluminescence was observed at a pumping current density as low as 0.7 A/cm2. The device reached an optical emission power of up to 25 μW at 9 A/cm2 with an external quantum efficiency of 0.009%. Watt-Ampere characteristic linearity suggests that the optical power margin of the light-emitting diode has not been exhausted. Band structure calculations explain the luminescence as being mainly due to radiative recombination in the large β-FeSi2 nanocrystals resulting from the realization of an indirect-to-direct band gap electronic configuration transformation arising from a favorable deformation of nanocrystals. The direct band gap structure and the measured short decay time of the luminescence of several tens of ns give rise to a fast operation speed for the device. Thus a method for developing a silicon-based photonic integrated circuit, combining complementary metal-oxide-semiconductor technology functionality and near-infrared light emission, is reported here.

Patient-related factors influence stiffness of the soft tissue complex during intraoperative gap balancing in cruciate-retaining total knee arthroplasty.

PubMed

Heesterbeek, P J C; Haffner, N; Wymenga, A B; Stifter, J; Ritschl, P

2017-09-01

How much force is needed to pre-tension the ligaments during total knee arthroplasty? The goal of this study was to determine this force for extension and flexion, and for both compartments, and to identify predicting patient-related factors. Eighty patients [55 females, mean age 71 (SD 9.7)] were recruited and had a navigated cruciate-retaining total knee arthroplasty. Distraction of the medial and lateral compartments of the extension and flexion gap (90°) with an instrumented bi-compartmental double-spring tensioner took place after finishing the bone cuts. Applied forces and resulting gap distances were recorded by the navigation system, resulting in a force-elongation curve. Lines were fitted with the intersection defined as the stiffness transition point. The slopes (N/mm) represented the stiffness of the ligamentous complex. Linear multiple regression analysis was performed to identify predicting factors. The amount of force at the stiffness transition point was on average 52.3 (CI 95 50.7-53.9), 54.5 (CI 95 52.7-56.3), 48.3 (CI 95 46.2-50.2), and 59.3 (CI 95 57.0-61.6) N for the medial and lateral extension and flexion gap, respectively, and varied considerably between patients. The force at the stiffness transition point was significantly different between extension and flexion and both compartments (P < 0.05). Stiffness of the ligaments statistically significantly helped to predict the amount of force at the stiffness transition point, as well as body mass index, gender, and varus-valgus alignment. The amount of force at the stiffness transition point varies between 48 and 59 N, depending on flexion/extension and compartment. Patient-related factors influence the stiffness transition point and can help predict the stiffness transition point. When forces higher than 60 N are used for gap distraction, the ligamentous sleeve of the knee might be over-tensioned. Prognostic study, Level I-high-quality prospective cohort study with >80 % follow-up, and all patients enrolled at same time point in disease.

Colloquium: Excitons in atomically thin transition metal dichalcogenides

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

Wang, Gang; Chernikov, Alexey; Glazov, Mikhail M.

Atomically thin materials such as graphene and monolayer transition metal dichalcogenides (TMDs) exhibit remarkable physical properties resulting from their reduced dimensionality and crystal symmetry. The family of semiconducting transition metal dichalcogenides is an especially promising platform for fundamental studies of two-dimensional (2D) systems, with potential applications in optoelectronics and valleytronics due to their direct band gap in the monolayer limit and highly efficient light-matter coupling. A crystal lattice with broken inversion symmetry combined with strong spin-orbit interactions leads to a unique combination of the spin and valley degrees of freedom. In addition, the 2D character of the monolayers and weakmore » dielectric screening from the environment yield a significant enhancement of the Coulomb interaction. The resulting formation of bound electron-hole pairs, or excitons, dominates the optical and spin properties of the material. In this article, recent progress in understanding of the excitonic properties in monolayer TMDs is reviewed and future challenges are laid out. Discussed are the consequences of the strong direct and exchange Coulomb interaction, exciton light-matter coupling, and influence of finite carrier and electron-hole pair densities on the exciton properties in TMDs. Finally, the impact on valley polarization is described and the tuning of the energies and polarization observed in applied electric and magnetic fields is summarized.« less

Colloquium: Excitons in atomically thin transition metal dichalcogenides

DOE PAGES

Wang, Gang; Chernikov, Alexey; Glazov, Mikhail M.; ...

2018-04-04

Atomically thin materials such as graphene and monolayer transition metal dichalcogenides (TMDs) exhibit remarkable physical properties resulting from their reduced dimensionality and crystal symmetry. The family of semiconducting transition metal dichalcogenides is an especially promising platform for fundamental studies of two-dimensional (2D) systems, with potential applications in optoelectronics and valleytronics due to their direct band gap in the monolayer limit and highly efficient light-matter coupling. A crystal lattice with broken inversion symmetry combined with strong spin-orbit interactions leads to a unique combination of the spin and valley degrees of freedom. In addition, the 2D character of the monolayers and weakmore » dielectric screening from the environment yield a significant enhancement of the Coulomb interaction. The resulting formation of bound electron-hole pairs, or excitons, dominates the optical and spin properties of the material. In this article, recent progress in understanding of the excitonic properties in monolayer TMDs is reviewed and future challenges are laid out. Discussed are the consequences of the strong direct and exchange Coulomb interaction, exciton light-matter coupling, and influence of finite carrier and electron-hole pair densities on the exciton properties in TMDs. Finally, the impact on valley polarization is described and the tuning of the energies and polarization observed in applied electric and magnetic fields is summarized.« less

Colloquium: Excitons in atomically thin transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Wang, Gang; Chernikov, Alexey; Glazov, Mikhail M.; Heinz, Tony F.; Marie, Xavier; Amand, Thierry; Urbaszek, Bernhard

2018-04-01

Atomically thin materials such as graphene and monolayer transition metal dichalcogenides (TMDs) exhibit remarkable physical properties resulting from their reduced dimensionality and crystal symmetry. The family of semiconducting transition metal dichalcogenides is an especially promising platform for fundamental studies of two-dimensional (2D) systems, with potential applications in optoelectronics and valleytronics due to their direct band gap in the monolayer limit and highly efficient light-matter coupling. A crystal lattice with broken inversion symmetry combined with strong spin-orbit interactions leads to a unique combination of the spin and valley degrees of freedom. In addition, the 2D character of the monolayers and weak dielectric screening from the environment yield a significant enhancement of the Coulomb interaction. The resulting formation of bound electron-hole pairs, or excitons, dominates the optical and spin properties of the material. Here recent progress in understanding of the excitonic properties in monolayer TMDs is reviewed and future challenges are laid out. Discussed are the consequences of the strong direct and exchange Coulomb interaction, exciton light-matter coupling, and influence of finite carrier and electron-hole pair densities on the exciton properties in TMDs. Finally, the impact on valley polarization is described and the tuning of the energies and polarization observed in applied electric and magnetic fields is summarized.

Structural transition and enhanced phase transition properties of Se doped Ge2Sb2Te5 alloys

NASA Astrophysics Data System (ADS)

Vinod, E. M.; Ramesh, K.; Sangunni, K. S.

2015-01-01

Amorphous Ge2Sb2Te5 (GST) alloy, upon heating crystallize to a metastable NaCl structure around 150°C and then to a stable hexagonal structure at high temperatures (>=250°C). It has been generally understood that the phase change takes place between amorphous and the metastable NaCl structure and not between the amorphous and the stable hexagonal phase. In the present work, it is observed that the thermally evaporated (GST)1-xSex thin films (0 <= x <= 0.50) crystallize directly to the stable hexagonal structure for x >= 0.10, when annealed at temperatures >= 150°C. The intermediate NaCl structure has been observed only for x < 0.10. Chemically ordered network of GST is largely modified for x >= 0.10. Resistance, thermal stability and threshold voltage of the films are found to increase with the increase of Se. The contrast in electrical resistivity between the amorphous and crystalline phases is about 6 orders of magnitude. The increase in Se shifts the absorption edge to lower wavelength and the band gap widens from 0.63 to 1.05 eV. Higher resistance ratio, higher crystallization temperature, direct transition to the stable phase indicate that (GST)1-xSex films are better candidates for phase change memory applications.

Hyper-active gap filling

PubMed Central

Omaki, Akira; Lau, Ellen F.; Davidson White, Imogen; Dakan, Myles L.; Apple, Aaron; Phillips, Colin

2015-01-01

Much work has demonstrated that speakers of verb-final languages are able to construct rich syntactic representations in advance of verb information. This may reflect general architectural properties of the language processor, or it may only reflect a language-specific adaptation to the demands of verb-finality. The present study addresses this issue by examining whether speakers of a verb-medial language (English) wait to consult verb transitivity information before constructing filler-gap dependencies, where internal arguments are fronted and hence precede the verb. This configuration makes it possible to investigate whether the parser actively makes representational commitments on the gap position before verb transitivity information becomes available. A key prediction of the view that rich pre-verbal structure building is a general architectural property is that speakers of verb-medial languages should predictively construct dependencies in advance of verb transitivity information, and therefore that disruption should be observed when the verb has intransitive subcategorization frames that are incompatible with the predicted structure. In three reading experiments (self-paced and eye-tracking) that manipulated verb transitivity, we found evidence for reading disruption when the verb was intransitive, although no such reading difficulty was observed when the critical verb was embedded inside a syntactic island structure, which blocks filler-gap dependency completion. These results are consistent with the hypothesis that in English, as in verb-final languages, information from preverbal noun phrases is sufficient to trigger active dependency completion without having access to verb transitivity information. PMID:25914658

Hyper-active gap filling.

PubMed

Omaki, Akira; Lau, Ellen F; Davidson White, Imogen; Dakan, Myles L; Apple, Aaron; Phillips, Colin

2015-01-01

Much work has demonstrated that speakers of verb-final languages are able to construct rich syntactic representations in advance of verb information. This may reflect general architectural properties of the language processor, or it may only reflect a language-specific adaptation to the demands of verb-finality. The present study addresses this issue by examining whether speakers of a verb-medial language (English) wait to consult verb transitivity information before constructing filler-gap dependencies, where internal arguments are fronted and hence precede the verb. This configuration makes it possible to investigate whether the parser actively makes representational commitments on the gap position before verb transitivity information becomes available. A key prediction of the view that rich pre-verbal structure building is a general architectural property is that speakers of verb-medial languages should predictively construct dependencies in advance of verb transitivity information, and therefore that disruption should be observed when the verb has intransitive subcategorization frames that are incompatible with the predicted structure. In three reading experiments (self-paced and eye-tracking) that manipulated verb transitivity, we found evidence for reading disruption when the verb was intransitive, although no such reading difficulty was observed when the critical verb was embedded inside a syntactic island structure, which blocks filler-gap dependency completion. These results are consistent with the hypothesis that in English, as in verb-final languages, information from preverbal noun phrases is sufficient to trigger active dependency completion without having access to verb transitivity information.

Synthesis of ammonium and sulfate ion-functionalized titanium dioxide for photocatalytic applications

NASA Astrophysics Data System (ADS)

Cheng, J. L.; Mi, J. Y.; Miao, H.; Sharifah Fatanah, B. S. A.; Wong, S. F.; Tay, B. K.

2017-04-01

Due to high band gap energy the optimum photocatalytic activities can only be achieved under UV light, thus limiting the practical application of TiO2. In this study, a method combining NH4 +/SO4 2--functionalization technique and post-treatment was developed and successfully applied to synthesize photoactive TiO2 samples which showed higher photocatalytic activity than the commercial P25 TiO2 under visible light radiation. The results also showed that the addition of (NH4)2SO4 surface functionalization on TiO2 increased the photocatalytic activity, which could be due to the combined effect of crystallinity and band gap energies. Moreover, the results showed that calcination temperature was inversely proportional to photocatalytic activity. The degradation efficiency for methylene blue under visible light was improved by 2 times from 10.7% for P25 nano Degussa TiO2 to 20.2% for the synthesized sample. The band gap energies were also reduced from 3.7 to 3.4 eV (under UV-Vis direct transition mode) indicating a red shift towards higher wavelength.

Band gap and refractive index tunability in thallium based layered mixed crystals

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

Gasanly, N. M., E-mail: nizami@metu.edu.tr; Virtual International Scientific Research Centre, Baku State University, Baku 1148

2015-07-21

Compositional variation of the band gap energy and refractive index of TlMeX{sub 2}-type (Me = Ga or In and X = S or Se) layered mixed crystals have been studied by the transmission and reflection measurements in the wavelength range of 400–1100 nm. The analysis of absorption data of TlGa{sub 1-x}In{sub x}Se{sub 2}, TlGa(S{sub 1−x}Se{sub x}){sub 2}, TlGa{sub 1−x}In{sub x}S{sub 2}, and TlIn(Se{sub 1−x}S{sub x}){sub 2} mixed crystals revealed the presence of both optical indirect and direct transitions. It was found that the energy band gaps of mixed crystals decrease at the replacing of gallium atoms by indium and of sulfur atoms by selenium ones.more » Through the similar replacing of atoms (smaller atoms by larger ones) in the studied mixed crystals, the refractive index shows the quite opposite behavior.« less

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Hydrodynamic outcomes of planet scattering in transitional discs

NASA Astrophysics Data System (ADS)

Moeckel, Nickolas; Armitage, Philip J.

2012-01-01

A significant fraction of unstable multiple planet systems are likely to scatter during the transitional disc phase as gas damping becomes ineffectual. Using a large ensemble of FARGO hydrodynamic simulations and MERCURY N-body integrations, we directly follow the dynamics of planet-disc and planet-planet interactions through the clearing phase and through 50 Myr of planetary system evolution. Disc clearing is assumed to occur as a result of X-ray-driven photoevaporation. We find that the hydrodynamic evolution of individual scattering systems is complex, and can involve phases in which massive planets orbit within eccentric gaps, or accrete directly from the disc without a gap. Comparing the results to a reference gas-free model, we find that the N-body dynamics and hydrodynamics of scattering into one- and two-planet final states are almost identical. The eccentricity distributions in these channels are almost unaltered by the presence of gas. The hydrodynamic simulations, however, also form a population of low-eccentricity three-planet systems in long-term stable configurations, which are not found in N-body runs. The admixture of these systems results in modestly lower eccentricities in hydrodynamic as opposed to gas-free simulations. The precise incidence of these three-planet systems is likely a function of the initial conditions; different planet set-ups (number or spacing) may change the quantitative character of this result. We analyse the properties of surviving multiple planet systems, and show that only a small fraction (a few per cent) enter mean motion resonances after scattering, while a larger fraction form stable resonant chains and avoid scattering entirely. Our results remain consistent with the hypothesis that exoplanet eccentricity results from scattering, though the detailed agreement between observations and gas-free simulation results is likely coincidental. We discuss the prospects for further tests of scattering models by observing planets or non-axisymmetric gas structure in transitional discs.

PBX 9502 air-gap tests

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

Dickson, Peter; Novak, Alan M.; Foley, Timothy J.

A small number of simple air-gap tests were performed on 1-inch diameter PBX 9502 cylinders to determine an approximate threshold for detonation failure. The primary diagnostics were streak imaging and dent measurements in a steel witness plate. Relight was found to occur, with negligible excess transit time, for air gaps up to 1 mm. Relight did not occur with a 3-mm air gap.

Effects of oxygen partial pressure, deposition temperature, and annealing on the optical response of CdS:O thin films as studied by spectroscopic ellipsometry

NASA Astrophysics Data System (ADS)

Junda, Maxwell M.; Grice, Corey R.; Subedi, Indra; Yan, Yanfa; Podraza, Nikolas J.

2016-07-01

Ex-situ spectroscopic ellipsometry measurements are made on radio frequency magnetron sputtered oxygenated cadmium sulfide (CdS:O) thin films. Films are deposited onto glass substrates at room temperature and at 270 °C with varying oxygen to total gas flow ratios in the sputtering ambient. Ellipsometric spectra from 0.74 to 5.89 eV are collected before and after annealing at 607 °C to simulate the thermal processes during close-space sublimation of overlying cadmium telluride in that solar cell configuration. Complex dielectric function (ɛ = ɛ1 + iɛ2) spectra are extracted for films as a function of oxygen gas flow ratio, deposition temperature, and post-deposition annealing using a parametric model accounting for critical point transitions and an Urbach tail for sub-band gap absorption. The results suggest an inverse relationship between degree of crystallinity and oxygen gas flow ratio, whereas annealing is shown to increase crystallinity in all samples. Direct band gap energies are determined from the parametric modeling of ɛ and linear extrapolations of the square of the absorption coefficient. As-deposited samples feature a range of band gap energies whereas annealing is shown to result in gap energies ranging only from 2.40 to 2.45 eV, which is close to typical band gaps for pure cadmium sulfide.

Quantum phase transition and destruction of Kondo effect in pressurized SmB 6

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

Zhou, Yazhou; Wu, Qi; Rosa, Priscila Ferrari Silveira

SmB 6 has been a well-known Kondo insulator for decades, but recently attracts extensive new attention as a candidate topological system. Studying SmB 6 under pressure provides an opportunity to acquire the much-needed understanding about the effect of electron correlations on both the metallic surface state and bulk insulating state. Here we do so by studying the evolution of two transport gaps (low temperature gap E l and high temperature gap E h) associated with the Kondo effect by measuring the electrical resistivity under high pressure and low temperature (0.3 K) conditions. We associate the gaps with the bulk Kondomore » hybridization, and from their evolution with pressure we demonstrate an insulator-to-metal transition at ~4 GPa. At the transition pressure, a large change in the Hall number and a divergence tendency of the electron-electron scattering coefficient provide evidence for a destruction of the Kondo entanglement in the ground state. In conclusion, our results raise the new prospect for studying topological electronic states in quantum critical materials settings.« less

Quantum phase transition and destruction of Kondo effect in pressurized SmB 6

DOE PAGES

Zhou, Yazhou; Wu, Qi; Rosa, Priscila Ferrari Silveira; ...

2017-10-24

SmB 6 has been a well-known Kondo insulator for decades, but recently attracts extensive new attention as a candidate topological system. Studying SmB 6 under pressure provides an opportunity to acquire the much-needed understanding about the effect of electron correlations on both the metallic surface state and bulk insulating state. Here we do so by studying the evolution of two transport gaps (low temperature gap E l and high temperature gap E h) associated with the Kondo effect by measuring the electrical resistivity under high pressure and low temperature (0.3 K) conditions. We associate the gaps with the bulk Kondomore » hybridization, and from their evolution with pressure we demonstrate an insulator-to-metal transition at ~4 GPa. At the transition pressure, a large change in the Hall number and a divergence tendency of the electron-electron scattering coefficient provide evidence for a destruction of the Kondo entanglement in the ground state. In conclusion, our results raise the new prospect for studying topological electronic states in quantum critical materials settings.« less

Molecular organization of phospholipid monolayers on the water surface by Maxwell displacement current measurement

NASA Astrophysics Data System (ADS)

Sulaiman, Khaulah; Majid, Wan Haliza Abdul; Muhamad, Muhamad Rasat

2006-02-01

The monolayer of organic molecules at the air-water interface has been studied using the Maxwell displacement current (MDC) technique. The materials used in this study were the biological materials of phosphatidyl ethanolamine (PE) and phosphatidic acids (PA). The configuration of the experimental set-up consists of the metal/air-gap/monolayer/metal coupled with the Langmuir method. This measurement enables the detection of current without destroying the monolayer. The phase transition and molecular orientation of the phospholipid monolayers were investigated using MDC measurement without mechanical contact between electrodes and the materials. Direct evidence of phase transition from gaseous to the polar ordering phase can be obtained across phospholipid monolayers even though at very low surface pressure. Relaxation process of the phospholipid monolayers was investigated by using the step compression on the MDC signals.

Investigations on nonlinear absorption and nonlinear refraction of a new photonic crystal using Z-scan

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

Shetty, T. C. S., E-mail: tcsshetty@gmail.com; Department of Post Graduate Studies in Physics, St Aloysius College; Sandeep, K. M.

A new photonic material, (2E)-1-(3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one (DCPP) was synthesized and crystallised at room temperature. The functional groups of synthesised material were confirmed using FT-IR. The third order nonlinear optical (NLO) properties were investigated using Z-scan technique with 5 ns Nd:YAG laser pulses operating at a wavelength of 532 nm. Linear absorption spectrum of DCPP crystals shows an optical transmittance window and a lower cutoff wavelength of absorption at 380 nm. The direct transition band gap energy was determined using Tauc’s plot. The melting point and thermal stability of the crystal have been investigated by thermo gravimetric analysis/differential thermal analysis (TGA/DTA). Themore » Thermo gravimetric curve showed absence of any phase transition before melting point.« less

High-pressure NaCl-phase of tetrahedral compounds

NASA Astrophysics Data System (ADS)

Soma, T.; -Matsuo Kagaya, H.

1984-04-01

The phase transition of tetrahedral compounds such as GaP, InP, ZnS, ZnSe, ZnTe and CdTe under pressure is investigated from the electronic theory of solids by using our recently presented binding force, which includes mainly covalent interactions in the pseudopotential formalism and partially ionic interactions. The partially ionic forces give the important contributions to the high-pressure phase and stabilize the NaCl-type structure for the high-pressure phase of these compounds, although not reported for GaP experimentally. Then, the numerical results such as the transition pressure, the volume-discontinuity, the transition heat with respect to the pressure-induced phase transition from the zinc-blende-to the NaCl-type lattice are obtained theoretically.

Runaway gas accretion and gap opening versus type I migration

NASA Astrophysics Data System (ADS)

Crida, A.; Bitsch, B.

2017-03-01

Growing planets interact with their natal protoplanetary disc, which exerts a torque onto them allowing them to migrate in the disc. Small mass planets do not affect the gas profile and migrate in the fast type-I migration. Although type-I migration can be directed outwards for planets smaller than 20 - 30M⊕ in some regions of the disc, planets above this mass should be lost into the central star long before the disc disperses. Massive planets push away material from their orbit and open a gap. They subsequently migrate in the slower, type II migration, which could save them from migrating all the way to the star. Hence, growing giant planets can be saved if and only if they can reach the gap opening mass, because this extends their migration timescale, allowing them to eventually survive at large orbits until the disc itself disperses. However, most of the previous studies only measured the torques on planets with fixed masses and orbits to determine the migration rate. Additionally, the transition between type-I and type-II migration itself is not well studied, especially when taking the growth mechanism of rapid gas accretion from the surrounding disc into account. Here we use isothermal 2D disc simulations with FARGO-2D1D to study the migration behaviour of gas accreting protoplanets in discs. We find that migrating giant planets always open gaps in the disc. We further show analytically and numerically that in the runaway gas accretion regime, the growth time-scale is comparable to the type-I migration time-scale, indicating that growing planets will reach gap opening masses before migrating all the way to the central star in type-I migration if the disc is not extremely viscous and/or thick. An accretion rate limited to the radial gas flow in the disc, in contrast, is not fast enough. When gas accretion by the planet is taken into account, the gap opening process is accelerated because the planet accretes material originating from its horseshoe region. This allows an accreting planet to transition to type-II migration before being lost even if gas fails to be provided for a rapid enough growth and the classical gap opening mass is not reached.

Conventional superconductivity in the type-II Dirac semimetal PdTe2

NASA Astrophysics Data System (ADS)

Das, Shekhar; Amit, Sirohi, Anshu; Yadav, Lalit; Gayen, Sirshendu; Singh, Yogesh; Sheet, Goutam

2018-01-01

The transition metal dichalcogenide PdTe2 was recently shown to be a unique system where a type-II Dirac semimetallic phase and a superconducting phase coexist. This observation has led to wide speculation on the possibility of the emergence of an unconventional topological superconducting phase in PdTe2. Here, through direct measurement of the superconducting energy gap by scanning tunneling spectroscopy, and temperature and magnetic-field evolution of same, we show that the superconducting phase in PdTe2 is conventional in nature. The superconducting energy gap is measured to be 326 μ eV at 0.38 K, and it follows a temperature dependence that is well described within the framework of Bardeen-Cooper-Schrieffer's theory of conventional superconductivity. This is surprising because our quantum oscillation measurements confirm that at least one of the bands participating in transport has topologically nontrivial character.

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

NASA Astrophysics Data System (ADS)

Rao, B. Narasimha; Suvarna, R. Padma

2016-05-01

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

Numerical simulation of stability and stability control of high speed compressible rotating couette flow

NASA Technical Reports Server (NTRS)

Biringen, Sedat; Hatay, Ferhat F.

1993-01-01

The nonlinear temporal evolution of disturbances in compressible flow between infinitely long, concentric cylinders is investigated through direct numerical simulations of the full, three-dimensional Navier-Stokes and energy equations. Counter-rotating cylinders separated by wide gaps are considered with supersonic velocities of the inner cylinder. Initially, the primary disturbance grows exponentially in accordance with linear stability theory. As the disturbances evolve, higher harmonics and subharmonics are generated in a cascading order eventually reaching a saturation state. Subsequent highly nonlinear stages of the evolution are governed by the interaction of the disturbance modes, particularly the axial subharmonics. Nonlinear evolution of the disturbance field is characterized by the formation of high-shear layers extending from the inner cylinder towards the center of the gap in the form of jets similar to the ejection events in transitional and turbulent wall-bounded shear flows.

Investigating dust trapping in transition disks with millimeter-wave polarization

NASA Astrophysics Data System (ADS)

Pohl, A.; Kataoka, A.; Pinilla, P.; Dullemond, C. P.; Henning, Th.; Birnstiel, T.

2016-08-01

Context. Spatially resolved polarized (sub-)mm emission has been observed for example in the protoplanetary disk around HL Tau. Magnetically aligned grains are commonly interpreted as the source of polarization. However, self-scattering by large dust grains with a high enough albedo is another polarization mechanism, which is becoming a compelling method independent of the spectral index to constrain the dust grain size in protoplanetary disks. Aims: We study the dust polarization at mm wavelengths in the dust trapping scenario proposed for transition disks, when a giant planet opens a gap in the disk. We investigate the characteristic polarization patterns and their dependence on disk inclination, dust size evolution, planet position, and observing wavelength. Methods: We combine two-dimensional hydrodynamical simulations of planet-disk interactions with self-consistent dust growth models. These size-dependent dust density distributions are used for follow-up three-dimensional radiative transfer calculations to predict the polarization degree at ALMA bands due to scattered thermal emission. Results: Dust self-scattering has been proven to be a viable mechanism for producing polarized mm-wave radiation. We find that the polarization pattern of a disk with a planetary gap after 1 Myr of dust evolution shows a distinctive three-ring structure. Two narrow inner rings are located at the planet gap edges. A third wider ring of polarization is situated in the outer disk beyond 100 au. For increasing observing wavelengths, all three rings change their position slightly, where the innermost and outermost rings move inward. This distance is detectable when comparing the results at ALMA bands 3, 6, and 7. Within the highest polarized intensity regions the polarization vectors are oriented in the azimuthal direction. For an inclined disk there is an interplay between polarization originating from a flux gradient and inclination-induced quadrupole polarization. For intermediate inclined transition disks, the polarization degree is as high as ~2% at λ = 3.1 mm (band 3), which is well above the detection limit of future ALMA observations.

Electronic properties and structural phase transition in A4 [M4O4] (A=Li, Na, K and Rb; M=Ag and Cu): A first principles study

NASA Astrophysics Data System (ADS)

Umamaheswari, R.; Yogeswari, M.; Kalpana, G.

2013-02-01

Self-consistent scalar relativistic band structure calculations for AMO (A=Li, Na, K and Rb; M=Ag and Cu) compounds have been performed using the tight-binding linear muffin-tin orbital (TB-LMTO) method within the local density approximation (LDA). At ambient conditions, these compounds are found to crystallize in tetragonal KAgO-type structure with two different space group I-4m2 and I4/mmm. Nowadays, hypothetical structures are being considered to look for new functional materials. AMO compounds have stoichiometry similar to eight-electron half-Heusler materials of type I-I-VI which crystallizes in cubic (C1b) MgAgAs-type structure with space group F-43m. For all these compounds, by interchanging the positions of atoms in the hypothetical cubic structure, three phases (α, β and γ) are formed. The energy-volume relation for these compounds in tetragonal KAgO-type structure and cubic α, β and γ phases of related structure have been obtained. Under ambient conditions these compounds are more stable in tetragonal KAgO-type (I4/mmm) structure. The total energies calculated within the atomic sphere approximation (ASA) were used to determine the ground state properties such as equilibrium lattice parameters, c/a ratio, bulk modulus, cohesive energy and are compared with the available experimental results. The results of the electronic band structure calculations at ambient condition show that LiCuO and NaMO are indirect band gap semiconductors whereas KMO and RbMO are direct band gap semiconductors. At high pressure the band gap decreases and the phenomenon of band overlap metallization occur. Also these compounds undergo structural phase transition from tetragonal I-4m2 phase to cubic α-phase and transition pressures were calculated.

Hinge-like structure induced unusual properties of black phosphorus and new strategies to improve the thermoelectric performance

PubMed Central

Qin, Guangzhao; Yan, Qing-Bo; Qin, Zhenzhen; Yue, Sheng-Ying; Cui, Hui-Juan; Zheng, Qing-Rong; Su, Gang

2014-01-01

We systematically investigated the geometric, electronic and thermoelectric (TE) properties of bulk black phosphorus (BP) under strain. The hinge-like structure of BP brings unusual mechanical responses such as anisotropic Young's modulus and negative Poisson's ratio. A sensitive electronic structure of BP makes it transform among metal, direct and indirect semiconductors under strain. The maximal figure of merit ZT of BP is found to be 0.72 at 800 K that could be enhanced to 0.87 by exerting an appropriate strain, revealing BP could be a potential medium-high temperature TE material. Such strain-induced enhancements of TE performance are often observed to occur at the boundary of the direct-indirect band gap transition, which can be attributed to the increase of degeneracy of energy valleys at the transition point. By comparing the structure of BP with SnSe, a family of potential TE materials with hinge-like structure are suggested. This study not only exposes various novel properties of BP under strain, but also proposes effective strategies to seek for better TE materials. PMID:25374306

Characterization of Lifshitz transitions in topological nodal line semimetals

NASA Astrophysics Data System (ADS)

Jiang, Hui; Li, Linhu; Gong, Jiangbin; Chen, Shu

2018-04-01

We introduce a two-band model of three-dimensional nodal line semimetals (NLSMs), the Fermi surface of which at half-filling may form various one-dimensional configurations of different topology. We study the symmetries and "drumhead" surface states of the model, and find that the transitions between different configurations, namely, the Lifshitz transitions, can be identified solely by the number of gap-closing points on some high-symmetry planes in the Brillouin zone. A global phase diagram of this model is also obtained accordingly. We then investigate the effect of some extra terms analogous to a two-dimensional Rashba-type spin-orbit coupling. The introduced extra terms open a gap for the NLSMs and can be useful in engineering different topological insulating phases. We demonstrate that the behavior of surface Dirac cones in the resulting insulating system has a clear correspondence with the different configurations of the original nodal lines in the absence of the gap terms.

Direct detection of metal-insulator phase transitions using the modified Backus-Gilbert method

NASA Astrophysics Data System (ADS)

Ulybyshev, Maksim; Winterowd, Christopher; Zafeiropoulos, Savvas

2018-03-01

The detection of the (semi)metal-insulator phase transition can be extremely difficult if the local order parameter which characterizes the ordered phase is unknown. In some cases, it is even impossible to define a local order parameter: the most prominent example of such system is the spin liquid state. This state was proposed to exist in the Hubbard model on the hexagonal lattice in a region between the semimetal phase and the antiferromagnetic insulator phase. The existence of this phase has been the subject of a long debate. In order to detect these exotic phases we must use alternative methods to those used for more familiar examples of spontaneous symmetry breaking. We have modified the Backus-Gilbert method of analytic continuation which was previously used in the calculation of the pion quasiparticle mass in lattice QCD. The modification of the method consists of the introduction of the Tikhonov regularization scheme which was used to treat the ill-conditioned kernel. This modified Backus-Gilbert method is applied to the Euclidean propagators in momentum space calculated using the hybrid Monte Carlo algorithm. In this way, it is possible to reconstruct the full dispersion relation and to estimate the mass gap, which is a direct signal of the transition to the insulating state. We demonstrate the utility of this method in our calculations for the Hubbard model on the hexagonal lattice. We also apply the method to the metal-insulator phase transition in the Hubbard-Coulomb model on the square lattice.

Folding thermodynamics of model four-strand antiparallel beta-sheet proteins.

PubMed Central

Jang, Hyunbum; Hall, Carol K; Zhou, Yaoqi

2002-01-01

The thermodynamic properties for three different types of off-lattice four-strand antiparallel beta-strand protein models interacting via a hybrid Go-type potential have been investigated. Discontinuous molecular dynamic simulations have been performed for different sizes of the bias gap g, an artificial measure of a model protein's preference for its native state. The thermodynamic transition temperatures are obtained by calculating the squared radius of gyration R(g)(2), the root-mean-squared pair separation fluctuation Delta(B), the specific heat C(v), the internal energy of the system E, and the Lindemann disorder parameter Delta(L). Despite these models' simplicity, they exhibit a complex set of protein transitions, consistent with those observed in experimental studies on real proteins. Starting from high temperature, these transitions include a collapse transition, a disordered-to-ordered globule transition, a folding transition, and a liquid-to-solid transition. The high temperature transitions, i.e., the collapse transition and the disordered-to-ordered globule transition, exist for all three beta-strand proteins, although the native-state geometry of the three model proteins is different. However the low temperature transitions, i.e., the folding transition and the liquid-to-solid transition, strongly depend on the native-state geometry of the model proteins and the size of the bias gap. PMID:11806908

Minding the Gap? Young People's Accounts of Taking a Gap Year as a Form of Identity Work in Higher Education

ERIC Educational Resources Information Center

King, Andrew

2011-01-01

A Gap Year is a break in an educational career, principally taken between leaving school and beginning university. Previous research on the Gap Year has suggested it is a form of social class positioning or forum for undertaking transitions in identity during young adulthood. This paper extends this research into the context of higher education…

A new method for the determination of optical band gap and the nature of optical transitions in semiconductors

NASA Astrophysics Data System (ADS)

Souri, Dariush; Tahan, Zahra Esmaeili

2015-05-01

A new method (named as DASF: Derivation of absorption spectrum fitting) is proposed for the determination of optical band gap and the nature of optical transitions in semiconductors; this method only requires the measurement of the absorbance spectrum of the sample, avoiding any needs to film thickness or any other parameters. In this approach, starting from absorption spectrum fitting (ASF) procedure and by the first derivation of the absorbance spectrum, the optical band gap and then the type of optical transition can be determined without any presumption about the nature of transition. DASF method was employed on (60-x)V2O5-40TeO2-xAg2O glassy systems (hereafter named as TVAgx), in order to confirm the validity of this new method. For the present glasses, the DASF results were compared with the results of ASF procedure for, confirming a very good agreement between these approaches. These glasses were prepared by using the melt quenching and blowing methods to obtain bulk and film samples, respectively. Results show that the optical band gap variation for TVAgx glasses can be divided into two regions, 0 ≤ x ≤ 20 and 20 ≤ x ≤ 40 mol%. The optical band gap has a maximum value equal to 2.72 eV for x = 40 and the minimum value equal to 2.19 eV for x = 40. Also, some physical quantities such as the width of the band tails (Urbach energy), glass density, molar volume, and optical basicity were reported for the under studied glasses.

Tuning the Electronic, Optical, and Magnetic Properties of Monolayer GaSe with a Vertical Electric Field

NASA Astrophysics Data System (ADS)

Ke, Congming; Wu, Yaping; Guo, Guang-Yu; Lin, Wei; Wu, Zhiming; Zhou, Changjie; Kang, Junyong

2018-04-01

Inspired by two-dimensional material with their unique physical properties and innovative device applications, here we report a design framework on monolayer GaSe, an important member of the two-dimensional material family, in an effort to tune the electronic, optical, and magnetic properties through a vertical electric field. A transition from indirect to direct band gap in monolayer GaSe is found with an electric field of 0.09 V /Å . The giant Stark effect results in a reduction of the band gap with a Stark coefficient of 3.54 Å. Optical and dielectric properties of monolayer GaSe are dependent on the vertical electric field. A large regulation range for polarization E ∥c ^ is found for the static dielectric constant. The optical anisotropy with the dipole transition from E ∥c ^ to E ⊥c ^ is achieved. Induced by the spin-orbit coupling, spin-splitting energy at the valence band maximum increases linearly with the electric field. The effective mass of holes is highly susceptible to the vertical electric field. Switchable spin-polarization features in spin texture of monolayer GaSe are predicted. The tunable electronic, optical, and magnetic properties of monolayer GaSe hold great promise for applications in both the optoelectronic and spintronic devices.

Surfactant mediated synthesis of bismuth selenide thin films for photoelectrochemical solar cell applications.

PubMed

Desai, Neha D; Khot, Kishorkumar V; Ghanwat, Vishvanath B; Kharade, Suvarta D; Bhosale, Popatrao N

2018-03-15

In the present report, nanostructured bismuth selenide (Bi 2 Se 3 ) thin films have been successfully deposited by using arrested precipitation technique (APT) at room temperature. The effect of three different surfactants on the optostructural, morphological, compositional and photoelectrochemical properties of Bi 2 Se 3 thin films were investigated. Optical absorption data indicates direct and allowed transition with a band gap energy varied from 1.4 eV to 1.8 eV. The X-ray diffraction pattern (XRD) revealed that Bi 2 Se 3 thin films are crystalline in nature and confirmed rhombohedral crystal structure. SEM micrographs shows morphological transition from interconnected mesh to nanospheres like and finally granular morphology. Surface topography of Bi 2 Se 3 thin films was determined by AFM. Compositional analysis of all samples was carried out by energy dispersive X-ray spectroscopy (EDS). Finally, all Bi 2 Se 3 thin films shows good PEC performance with highest photoconversion efficiency 1.47%. In order to study the stability of Bi 2 Se 3 thin films four cycles are repeated after gap of one week each. Further PEC performance of all Bi 2 Se 3 thin films are also supported by electrochemical impedance (EIS) measurement study. Copyright © 2017 Elsevier Inc. All rights reserved.

An analysis of clinical transition stresses experienced by dental students: A qualitative methods approach.

PubMed

Botelho, M; Gao, X; Bhuyan, S Y

2018-04-17

Stress in dental students is well established with potential psychological distress, emotional exhaustion and burnout-related symptoms. Little attention has been given to the problems encountered by dental students during the transition from theoretical or paraclinical training to the clinical environment. The aim of this study was to adopt a qualitative research methods approach to understand the perceived stressors during students' clinical transition and provide insights for curriculum planners to enhance learning. This study analysed four groups of 2nd- and 3rd-year BDS students' experiences in focus group interviews relating to their pre-clinical and clinical transitions. The interviews were recorded and transcribed verbatim, and a thematic analysis was performed using an inductive qualitative approach. Key overlapping domains identified were the transition gap and stresses. The transition gap was subclassified into knowledge and skill (hard and soft), and stresses was subcategorised into internal and external stresses. On first coming to clinics, students experienced knowledge gaps of unfamiliar clinical treatments with mismatches between knowledge acquisition and clinical exposure. Students felt incompetent owing to the stresses attributable to curriculum design, staff and the patient. This negatively affected their confidence and clinical performance. A range of challenges have been identified that will allow curriculum designer's to plan a more supportive learning experience to help students during their transition to clinical practice giving them timely knowledge, confidence and clinical performance to better prepare them for entering clinics. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Direct Band Gap Wurtzite Gallium Phosphide Nanowires

PubMed Central

2013-01-01

The main challenge for light-emitting diodes is to increase the efficiency in the green part of the spectrum. Gallium phosphide (GaP) with the normal cubic crystal structure has an indirect band gap, which severely limits the green emission efficiency. Band structure calculations have predicted a direct band gap for wurtzite GaP. Here, we report the fabrication of GaP nanowires with pure hexagonal crystal structure and demonstrate the direct nature of the band gap. We observe strong photoluminescence at a wavelength of 594 nm with short lifetime, typical for a direct band gap. Furthermore, by incorporation of aluminum or arsenic in the GaP nanowires, the emitted wavelength is tuned across an important range of the visible light spectrum (555–690 nm). This approach of crystal structure engineering enables new pathways to tailor materials properties enhancing the functionality. PMID:23464761

Disease activity and transition outcomes in a childhood-onset systemic lupus erythematosus cohort.

PubMed

Son, M B; Sergeyenko, Y; Guan, H; Costenbader, K H

2016-11-01

Objective The chronicity and severity of childhood-onset systemic lupus erythematosus (cSLE) necessitate effective transition from pediatric to adult providers. We studied transition outcomes in a cSLE cohort. Methods We identified patients at an adult lupus clinic diagnosed with SLE ≤ 18 years who had been followed by a pediatric rheumatologist. Data extracted from the first three years in adult care ("post-transition period") included: sociodemographics, depression, anxiety, SLE manifestations, SLE Disease Activity Index (SLEDAI) and Systemic Lupus International Collaborating Clinics/ACR Damage Index for SLE (SLICC) scores, non-adherence, and gaps in care (no appointments in the recommended time frame). Multivariable logistic regression analyses for predictors of: (1) time between pediatric and adult providers, (2) gaps in care, (3) unscheduled utilization (emergency department visits and admissions) (4) depression and/or anxiety were performed, as was a multivariable Poisson regression analysis for number of missed appointments. Results In 50 patients, SLEDAI scores were stable (mean 5.7 ± 5.0 at start vs. 4.7 ± 4.8 at year 3, p = 0.2), but SLICC scores increased (0.46 ± 0.84, vs. 0.78 ± 1.25, p = 0.01). Depression and anxiety increased significantly (10% vs. 26%, p = 0.02). Mean time from last pediatric to first adult provider visit was almost nine months (253 ± 392 days). Nearly 75% of patients had ≥ 1 gap in care. White race, low education level and non-adherence were significantly associated with missed appointments. Conclusion Despite moderate disease activity in this cSLE transition cohort, prolonged time between pediatric and adult providers and gaps in care in the post-transition period occurred. Anxiety and depression were frequently reported. Future work should identify methods to improve transition.

Band Gap Transition Studies of U:ThO2 Using Cathodoluminescence

DTIC Science & Technology

2014-03-27

BAND GAP TRANSITION STUDIES OF U:THO2 USING CATHODOLUMINESCENCE THESIS Joshua D. Reding , Second Lieutenant, USAF AFIT-ENP-14-M-31 DEPARTMENT OF THE...Education and Training Command in Partial Fulfillment of the Requirements for the Degree of Master of Science in Applied Physics Joshua D. Reding , B.S...STUDIES OF U:THO2 USING CATHODOLUMINESCENCE Joshua D. Reding , B.S. Second Lieutenant, USAF Approved: //signed// Robert L. Hengehold, PhD (Chair) //signed

Ordering and Excitations in the Field-Induced Magnetic Phase of Cs3Cr2Br9

NASA Astrophysics Data System (ADS)

Grenier, Beatrice

2006-03-01

Cs3Cr2Br9 is an interesting example of interacting spin-dimer system. As in other isotropic antiferromagnets such as Haldane or alternating chains and ladders, the ground state in zero field is a total spin singlet separated from the excited triplet by an energy gap. In a magnetic field H, a phase transition occurs at a critical field Hc1, where the gap to the lowest component of the Zeeman-split triplet closes. Above Hc1, field-induced magnetic order (FIMO) for spin components perpendicular to H is induced by inter-dimer or inter-chain couplings. The FIMO transition may be considered as a Bose-Einstein Condensation. Cs3Cr2Br9 differs from other dimer systems currently studied (e.g. PHCC, TlCuCl3) in two main ways: each Cr^3+ ion of the dimer has spin 3/2 rather than 1/2 for Cu-based systems and the arrangement of the dimers is hexagonal. This gives rise to anisotropy and frustration in a 3D lattice, respectively. The possibility of studying the magnetic ordering and the spin dynamics in a FIMO with sufficient detail to bring out features of frustration and anisotropy motivated the present neutron scattering study in Cs3Cr2Br9*. Two field orientations have been exploited, perpendicular and parallel to the easy axis c (direction of the dimers). First, I present the diffraction study: the FIMO displays large hysteresis incommensurability, showing the importance of frustration. The impact of anisotropy is seen in the magnetic structure, whose nature strongly depends on the field direction. Second, I focus on spin dynamics: it quantifies the presence of anisotropy and shows its crucial role on the energy gap at Hc1, which is measurably open or not, depending on whether H is perpendicular or parallel to c. Third, an explanation is proposed for the large value of the gap at higher field: it involves the mixing of higher order states (extended-FIMO), reflected by the absence of magnetization plateaus. Comparison with the sister Cs3Cr2Cl9 compound provides a test of this hypothesis. *B. Grenier et al., Phys. Rev. Lett. 92, 177202 (2004)

The Timing of a Time Out: The Gap Year in Life Course Context

ERIC Educational Resources Information Center

Vogt, Kristoffer Chelsom

2018-01-01

Based on biographical interviews from a three-generation study in Norway, this article examines the place of the contemporary "gap year" within life course transition trajectories and intergenerational relations embedded in wider patterns of social inequality. Under the heading of taking a gap year, young people on "academic…

Scrutinizing the double superconducting gaps and strong coupling pairing in (Li1−xFex)OHFeSe

PubMed Central

Du, Zengyi; Yang, Xiong; Lin, Hai; Fang, Delong; Du, Guan; Xing, Jie; Yang, Huan; Zhu, Xiyu; Wen, Hai-Hu

2016-01-01

In the field of iron-based superconductors, one of the frontier studies is about the pairing mechanism. The recently discovered (Li1−xFex)OHFeSe superconductor with the transition temperature of about 40 K provides a good platform to check the origin of double superconducting gaps and high transition temperature in the monolayer FeSe thin film. Here we report a scanning tunnelling spectroscopy study on the (Li1−xFex)OHFeSe single crystals. The tunnelling spectrum mimics that of the monolayer FeSe thin film and shows double gaps at about 14.3 and 8.6 meV. Further analysis based on the quasiparticle interference allows us to rule out the d-wave gap, and for the first time assign the larger (smaller) gap to the outer (inner) Fermi pockets (after folding) associating with the dxy (dxz/dyz) orbitals, respectively. The gap ratio amounts to 8.7, which demonstrates the strong coupling mechanism in the present superconducting system. PMID:26822281

Extreme ultraviolet quantum efficiency of opaque alkali halide photocathodes on microchannel plates

NASA Technical Reports Server (NTRS)

Siegmund, O. H. W.; Everman, E.; Vallerga, J. V.; Lampton, M.

1988-01-01

Comprehensive measurements are presented for the quantum detection efficiency (QDE) of the microchannel plate materials CsI, KBr, KCl, and MgF2, over the 44-1800 A wavelength range. QDEs in excess of 40 percent are achieved by several materials in specific wavelength regions of the EUV. Structure is noted in the wavelength dependence of the QDE that is directly related to the valence-band/conduction-band gap energy and the onset of atomic-like resonant transitions. A simple photocathode model allows interpretation of these features, together with the QDE efficiency variation, as a function of illumination angle.

Comparative characteristics of electron energy spectrum in PIG and arc type discharge plasmas

NASA Technical Reports Server (NTRS)

Romanyuk, L. I.; Suavilnyy, N. Y.

1978-01-01

The electron distribution functions relative to the velocity component directed along the magnetic field are compared for PIG and arc type discharges. The identity of these functions for the plasma region pierced by the primary electron beam and their difference in the peripheral part of the discharge are shown. It is concluded that the electron distribution function in the PIG type discharge is formed during one transit of the primary electron through the discharge gap. The mechanisms of electron energy spectrum formation in both the axis region and the peripheral region of the discharge are discussed.

Ti Impurity Effect on the Optical Coefficients in 2D Cu2Si: A DFT Study

NASA Astrophysics Data System (ADS)

Nourozi, Bromand; Boochani, Arash; Abdolmaleki, Ahmad; Sartpi, Elmira; Darabi, Pezhman; Naderi, Sirvan

2018-01-01

The electronic and optical properties of 2D Cu2Si and Cu2Si:Ti are investigated based on the density functional theory (DFT) using the FP-LAPW method and GGA approximation. The 2D Cu2Si has metallic and non magnetic properties, whereas adding Ti impurity to its structure changes the electronic behavior to the half-metallic with 3.256μB magnetic moment. The optical transition is not occurred in the infrared and visible area for the 2D Cu2Si in x-direction and by adding Ti atom, the real part of dielectric function in the x-direction, Re (ε(ω))x is reached to a Dirac peak at this energy range. Moreover, the absorption gap tends to zero in x-direction of the 2D Cu2Si:Ti. Supported by Islamic Azad University, Kermanshah branch, Kermanshah, Iran

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

PubMed

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.

Strain-induced semi-metal to semiconductor transition and strong enhancement in thermopower of TiS2

NASA Astrophysics Data System (ADS)

Samanta, Atanu; Pandey, Tribhuwan; Singh, Abhishek K.

2015-03-01

Electronic properties of transition-metal dichalcogenides (TMDs) (MX2, where M = Mo, W and X = S, Se, Te) are very sensitive to the applied pressure/strain, causing a semiconductor to metal transition. Using first principles density functional theory calculations, we demonstrate that bulk TiS2 changes from semi-metal to semi-conducting electronic phase upon application of uniform biaxial strain. This phase transition is responsible for the charge transfer from Ti to S and reduces the overlap between Ti-(d) and S-(p) orbitals. The transport calculations show a three-fold enhancement in thermopower for both p- and n-type TiS2 due to opening of band gap along with changes in dispersion of bands. The electrical conductivity and thermopower shows a large anisotropy due to the difference in the effective masses along the in-plane and out-of-plane directions. We further demonstrate that the enhancement of thermoelectric performance, can also be achieved by doping TiS2 with larger iso-electronic elements such as Zr or Hf at the Ti sites. Aeronautical Development Agency (ADA) under NPMASS and Department of Science and Technology(DST) nanomission

Cystic fibrosis: addressing the transition from pediatric to adult-oriented health care.

PubMed

Kreindler, James L; Miller, Victoria A

2013-12-11

Survival for patients with cystic fibrosis (CF) increased to nearly 40 years in 2012 from the early childhood years in the 1940s. Therefore, patients are living long enough to require transition from pediatric CF centers to adult CF centers. The goal of transition is for the young adult to be engaged in the adult health care system in ways that optimize health, maximize potential, and increase quality of life. A successful transition promotes autonomy and responsibility with respect to one's own health. Currently, there is an information gap in the literature with respect to psychological models that can help guide informed transition processes. In this review, we establish the framework in which transition exists in CF; we review some of the published literature from the last 20 years of experience with transition in CF centers around the world; and we discuss psychological models of pediatric illness that can help to explain the current state of transition to adult-oriented care from pediatric-oriented care and help to formulate new models of ascertaining readiness for transition. Finally, we look at our current knowledge gaps and opportunities for future research endeavors.

Strain engineering of atomic and electronic structures of few-monolayer-thick GaN

NASA Astrophysics Data System (ADS)

Kolobov, A. V.; Fons, P.; Saito, Y.; Tominaga, J.; Hyot, B.; André, B.

2017-07-01

Two-dimensional (2D) semiconductors possess the potential to ultimately minimize the size of devices and concomitantly drastically reduce the corresponding energy consumption. In addition, materials in their atomic-scale limit often possess properties different from their bulk counterparts paving the way to conceptually novel devices. While graphene and 2D transition-metal dichalcogenides remain the most studied materials, significant interest also exists in the fabrication of atomically thin structures from traditionally 3D semiconductors such as GaN. While in the monolayer limit GaN possesses a graphenelike structure and an indirect band gap, it was recently demonstrated that few-layer GaN acquires a Haeckelite structure in the direction of growth with an effectively direct gap. In this work, we demonstrate the possibility of strain engineering of the atomic and electronic structure of few-monolayer-thick GaN structures, which opens new avenues for their practical application in flexible nanoelectronics and nano-optoelectronics. Our simulations further suggest that due to the weak van der Waals-like interaction between a substrate and an overlayer, the use of a MoS2 substrate may be a promising route to fabricate few-monolayer Haeckelite GaN experimentally.

Providing Transition Planning for the Secondary Student through the Community Based Inservice Model.

ERIC Educational Resources Information Center

Glasenapp, Gary

This paper provides an overview of the transition process for students with severe handicaps. For secondary age youths with severe handicaps, explicit and intensive transition planning is necessary to bridge the gap between school experiences and adult life. The transition planning process is designed to build the skills necessary for an…

Franck Condon shift assessment in 2D MoS2

NASA Astrophysics Data System (ADS)

Gupta, Sunny; Shirodkar, Sharmila N.; Kaplan, Daniel; Swaminathan, Venkataraman; Yakobson, Boris I.

2018-03-01

Optical spectroscopy (OS) techniques are often coupled with first-principles density functional theoretical (DFT) calculations for determining the precise influence of defects on the electronic and structural properties of two-dimensional (2D) transition metal dichalcogenides. Such calculations are carried out presuming there is little or no effect of vibrational transitions on the observed electronic spectrum. However, if the effect of change in vibrational energy (Franck Condon (FC) shift) associated with such a transition is large, it could possibly lead to a different origin for the observed peak. One such instance is the attribution of the 0.75 eV cathodoluminescence peak by Fabbri et al (2016 Nat. Commun. 7 13044) to an optical transition from an S vacancy level in the band gap, under the assumption that the FC shift is negligible. Here, by first principles constrained DFT calculations using hybrid HSE06 functional we show that this combined prediction of OS and DFT calculations is valid for 2D MoS2 since the FC shift associated with electronic transitions from a sulfur vacancy is indeed small ~28 meV. Based on our calculations we conclude that it is reasonable to make a direct connection between DFT calculations and optical spectroscopy techniques in this material, hence, establishing a one to one relation between defect related emission bands and electronic transitions from the defect levels.

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

NASA Astrophysics Data System (ADS)

Fatokun, Stephen O.

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

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

Quennet, Marcel, E-mail: marcel.quennet@fu-berlin.de; Institut für Chemie und Biochemie, Freie Universität Berlin, Takustraße 3, 14195 Berlin; Ritscher, Anna

In this work the Cu/Zn order-disorder transition in Cu{sub 2}ZnSnS{sub 4} kesterites on Wyckoff positions 2c and 2d was investigated by a structural and electronic analysis in theory and experiment. For experimental investigations stoichiometric samples with different Cu/Zn order, annealed in the temperature range of 473–623 K and afterwards quenched, were used. The optical gaps were determined using the Derivation of Absorption Spectrum Fitting (DASF) method. Furthermore, the order-disorder transition was examined by DFT calculations for a closer analysis of the origins of the reduced band gap, showing a good agreement with experimental data with respect to structural and electronicmore » properties. Our studies show a slight increase of lattice parameter c in the kesterite lattice with increasing disorder. Additionally, a reduced band gap was observed with increasing disorder, which is an effect of newly occurring binding motifs in the disordered kesterite structure. - Highlights: • Experimental and theoretical investigation on the order-disorder transition in kesterites. • Slight enlargements of lattice constants due to disorder in experiment and theory. • Strong band gap fluctuations with decreasing order. • Electronic structure deviations due to changing binding motifs. • Disorder as possible main source of low open-circuit voltages.« less

Effect of transition dipole phase on high-order-harmonic generation in solid materials

NASA Astrophysics Data System (ADS)

Jiang, Shicheng; Wei, Hui; Chen, Jigen; Yu, Chao; Lu, Ruifeng; Lin, C. D.

2017-11-01

High-order harmonic spectra from solid materials driven by single-color multicycle laser fields sometimes contain even harmonics. In this work we attribute the appearance of even harmonics to the nonzero transition dipole phase (TDP) when the solid system has broken symmetry. By calculating the harmonic efficiency from graphene and gapped graphene by using the semiconductor Bloch equations under the tight-binding approximation, we demonstrate the role of the TDP, which has been ignored for a long time. When the crystal has inversion symmetry, or reflection symmetry with the symmetry plane perpendicular to the laser polarization direction, the TDP can be neglected. Without such symmetry, however, the TDP will lead to the appearance of even harmonics. We further show that the TDP is sensitive to the crystal geometry. To extract the structure information from the harmonic spectra of a solid the TDP cannot be ignored.

Marital satisfaction and maternal depressive symptoms among Korean mothers transitioning to parenthood.

PubMed

Choi, Eunsil

2016-06-01

Although many empirical findings support associations between marital satisfaction and depressive symptoms, gaps remain in our understanding of the magnitude and direction of the associations between marital satisfaction and depressive symptoms as well as the associations in a collectivistic culture. The present study examined autoregressive cross-lagged associations between marital satisfaction and maternal depressive symptoms across a 3-year investigation in a sample of Korean mothers transitioning to parenthood. The sample consisted of 2,078 mothers in the Panel Study of Korean Children. The mothers reported marital satisfaction and maternal depressive symptoms annually for 3 years. The results of an autoregressive cross-lagged model revealed bidirectional associations between marital satisfaction and maternal depressive symptoms. The findings provide evidence of an interactional model of depression in a sample of Korean mothers. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Excitonic linewidth and coherence lifetime in monolayer transition metal dichalcogenides

DOE PAGES

Selig, Malte; Berghäuser, Gunnar; Raja, Archana; ...

2016-11-07

Atomically thin transition metal dichalcogenides are direct-gap semiconductors with strong light–matter and Coulomb interactions. The latter accounts for tightly bound excitons, which dominate their optical properties. Besides the optically accessible bright excitons, these systems exhibit a variety of dark excitonic states. They are not visible in the optical spectra, but can strongly influence the coherence lifetime and the linewidth of the emission from bright exciton states. We investigate the microscopic origin of the excitonic coherence lifetime in two representative materials (WS 2 and MoSe 2) through a study combining microscopic theory with spectroscopic measurements. We also show that the excitonicmore » coherence lifetime is determined by phonon-induced intravalley scattering and intervalley scattering into dark excitonic states. Particularly, we identify exciton relaxation processes involving phonon emission into lower-lying dark states that are operative at all temperatures, in WS 2.« less

Study of the optical properties and the carbonaceous clusters in DAM-ADC solid state nuclear track detectors

NASA Astrophysics Data System (ADS)

Rammah, Y. S.; Abdalla, A. M.

2017-12-01

The optical properties of DAM-ADC solid state nuclear track detectors (SSNTDs) were investigated. Samples of DAM-ADC detector were irradiated at room temperature with gamma doses in the range of 100-500 kGy using 1.25 MeV 60Co source of dose rate 4 kGy/h. The optical characterization of these detectors have been studied through the measurements of UV-visible absorption spectra of blank and γ- irradiated samples. The optical energy band gaps, Eg for the detectors were obtained from the direct and the indirect allowed transitions in K-space using two methods (Tauc's model and absorption spectrum fitting (ASF) method). The absorbance of DAM-ADC detector was found to increase with increasing of the gamma absorbed dose. The width of the tail of localized states in the band gap, Eu was evaluated with the Urbach's method. The number of carbon atoms per conjugated length (N), the number of carbon atoms per cluster (M), and refractive index (n) for the present samples were determined. Both of the direct and the indirect band gaps of DAM-ADC detector decrease with increasing of the gamma absorbed dose. Urbach's energy decreased significantly for the detector. An increase in N, M, and n with increasing of the gamma absorbed dose was noticed. Results shed light on the effect of gamma irradiations of DAM-ADC SSNTDs to suitable industrial applications and to modify the optical properties through gamma-induced modifications of the polymer structure.

Structural phase transition, narrow band gap, and room-temperature ferromagnetism in [KNbO{sub 3}]{sub 1−x}[BaNi{sub 1/2}Nb{sub 1/2}O{sub 3−δ}]{sub x} ferroelectrics

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

Zhou, Wenliang; Yang, Pingxiong, E-mail: pxyang@ee.ecnu.edu.cn; Chu, Junhao

2014-09-15

Structural phase transition, narrow band gap (E{sub g}), and room-temperature ferromagnetism (RTFM) have been observed in the [KNbO{sub 3}]{sub 1−x}[BaNi{sub 1/2}Nb{sub 1/2}O{sub 3−δ}]{sub x} (KBNNO) ceramics. All the samples have single phase perovskite structure, but exhibit a gradual transition behaviour from the orthorhombic to a cubic structure with the increase of x. Raman spectroscopy analysis not only corroborates this doping-induced change in normal structure but also shows the local crystal symmetry for x ≥ 0.1 compositions to deviate from the idealized cubic perovskite structure. A possible mechanism for the observed specific changes in lattice structure is discussed. Moreover, it ismore » noted that KBNNO with compositions x = 0.1–0.3 have quite narrow E{sub g} of below 1.5 eV, much smaller than the 3.2 eV band gap of parent KNbO{sub 3} (KNO), which is due to the increasing Ni 3d electronic states within the gap of KNO. Furthermore, the KBNNO materials present RTFM near a tetragonal to cubic phase boundary. With increasing x from 0 to 0.3, the magnetism of the samples develops from diamagnetism to ferromagnetism and paramagnetism, originating from the ferromagnetic–antiferromagnetic competition. These results are helpful in the deeper understanding of phase transitions, band gap tunability, and magnetism variations in perovskite oxides and show the potential role, such materials can play, in perovskite solar cells and multiferroic applications.« less

Dependence of the optical conductivity on the uniaxial and biaxial strains in black phosphorene

NASA Astrophysics Data System (ADS)

Yang, C. H.; Zhang, J. Y.; Wang, G. X.; Zhang, C.

2018-06-01

By using the Kubo formula, the optical conductivity of strained black phosphorene was studied. The anisotropic band dispersion gives rise to an orientation dependent optical conductivity. The energy gap can be tuned by the uniaxial and biaxial strains which can be observed from the interband optical conductivity polarized along the armchair (x ) direction. The preferential conducting direction is along the x direction. The dependence of the intraband optical conductivity along the zigzag (y ) direction on the Fermi energy and strain exhibits increasing or decreasing monotonously. However, along the x direction this dependence is complicated which originates from the carriers' inverse-direction movements obtained by two types of the nearest phosphorus atom interactions. The modification of the biaxial strain on the energy structure and optical-absorption property is more effective. The imaginary part of the total optical conductivity (Im σ ) can be negative around the threshold of the interband optical transition by modifying the chemical potential. Away from this frequency region, Im σ exhibits positive value. It can be used in the application of the surface plasmon propagations in multilayer dielectric structures.

Influence of the Verwey Transition on the Spin-Wave Dispersion of Magnetite

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

McQueeny, R. J.; Yethiraj, Mohana; Montfrooij, W.

Inelastic neutron-scattering measurements of the spin-wave spectrum of magnetite (Fe{sub 3}O{sub 4}) that shed new light on the Verwey transition problem are presented. Above the Verwey transition, the spin waves can fit a simple Heisenberg model. Below TV, a large gap (8?meV) forms in the acoustic spin-wave branch at q = (0,0,1/2) and E = 43?meV. Heisenberg models with large unit cells were used to examine the spin waves when the superexchange is modified to reflect the crystallographic symmetry lowering due to either atomic distortions or charge ordering and find that neither of these models predicts the spin-wave gap.

A systematic review of the status of children's school access in low- and middle-income countries between 1998 and 2013: using the INDEPTH Network platform to fill the research gaps.

PubMed

Kamanda, Mamusu; Sankoh, Osman

2015-01-01

The framework for expanding children's school access in low- and middle-income countries (LMICs) has been directed by universal education policies as part of Education for All since 1990. In measuring progress to universal education, a narrow conceptualisation of access which dichotomises children's participation as being in or out of school has often been assumed. Yet, the actual promise of universal education goes beyond this simple definition to include retention, progression, completion, and learning. Our first objective was to identify gaps in the literature on children's school access using the zones of exclusion of the Consortium for Research on Educational Access, Transition, and Equity as a framework. Second, we gave consideration to how these gaps can be met by using longitudinal and cross-country data from Health and Demographic Surveillance System (HDSS) sites within the International Network for the Demographic Evaluation of Population and Their Health (INDEPTH) in LMICs. Using Web of Science, we conducted a literature search of studies published in international peer-reviewed journals between 1998 and 2013 in LMICs. The phrases we searched included six school outcomes: school enrolment, school attendance, grade progression, school dropout, primary to secondary school transition, and school completion. From our search, we recorded studies according to: 1) school outcomes; 2) whether longitudinal data were used; and 3) whether data from more than one country were analysed. The area of school access most published is enrolment followed by attendance and dropout. Primary to secondary school transition and grade progression had the least number of publications. Of 132 publications which we found to be relevant to school access, 33 made use of longitudinal data and 17 performed cross-country analyses. The majority of studies published in international peer-reviewed journals on children's school access between 1998 and 2013 were focused on three outcomes: enrolment, attendance, and dropout. Few of these studies used data collected over time or data collected from more than one country for comparative analyses. The contribution of the INDEPTH Network in helping to address these gaps in the literature lies in the longitudinal design of HDSS surveys and in the diversity of countries within the network.

Silicon carbide at nanoscale: Finite single-walled to "infinite" multi-walled tubes

NASA Astrophysics Data System (ADS)

Adhikari, Kapil

A systematic ab initio study of silicon carbide (SiC) nanostructures, especially finite single-walled, infinite double- and multi-walled nanotubes and nanocones is presented. Electronic and structural properties of all these nanostructures have been calculated using hybrid density functionals (B3LYP and PBE0) as implemented in the GAUSSIAN 03/09 suite of software. The unusual dependence of band gap of silicon carbide nanotubes (SiCNT) has been explained as a direct consequence of curvature effect on the ionicity of the bonds. The study of fullerene hemisphere capped, finite SiC nanotubes indicates that the carbon-capped SiC nanotubes are energetically more preferred than silicon-capped finite or hydrogen terminated infinite nanotubes. Capping a nanotube by fullerene hemisphere reduces its band gap. SiC nanocones have also been investigated as possible cap structures of nanotubes. Electronic properties of the nanocones are found to be strongly dependent upon their tip and edge structures, with possible interesting applications in surface science. Three types of double-walled SiCNTs (n, n)@(m, m) (3 ≤ n ≤ 6 ; 7 ≤ m ≤ 12) have been studied using the finite cluster approximation. The stabilities of these nanotubes are of the same order as those of the single-walled SiC nanotubes and it should be experimentally possible to synthesize both single-walled and double-walled SiC nanotubes. The binding energy per atom or the cohesive energy of the double-walled nanotubes depends not only on the number of atoms but also on the coupling of the constituent single-walled nanotubes and their types. A study of binding energies, Mulliken charges, density of states and HOMO-LUMO gaps has been performed for all nanotubes from (n, n)@(n+3,n+3) to (n, n)@(n+6, n+6) (n=3-6). Evolution of band gaps of the SiCNTs with increase in the number of walls has also been investigated. The nature of interaction between transition metal atoms and silicon carbide nanotubes with different curvature has also been investigated. The curvature of the nanotubes affects the nature of the interaction between the nanotubes and the transition teal atoms. Our study of functionalized SiCNTs by 3d transition metal atoms indicates that these nanostructures can have possible applications in spintronics and nano-magnetic storage.

A systematic review of the status of children's school access in low- and middle-income countries between 1998 and 2013: using the INDEPTH Network platform to fill the research gaps

PubMed Central

Kamanda, Mamusu; Sankoh, Osman

2015-01-01

Background The framework for expanding children's school access in low- and middle-income countries (LMICs) has been directed by universal education policies as part of Education for All since 1990. In measuring progress to universal education, a narrow conceptualisation of access which dichotomises children's participation as being in or out of school has often been assumed. Yet, the actual promise of universal education goes beyond this simple definition to include retention, progression, completion, and learning. Objective Our first objective was to identify gaps in the literature on children's school access using the zones of exclusion of the Consortium for Research on Educational Access, Transition, and Equity as a framework. Second, we gave consideration to how these gaps can be met by using longitudinal and cross-country data from Health and Demographic Surveillance System (HDSS) sites within the International Network for the Demographic Evaluation of Population and Their Health (INDEPTH) in LMICs. Design Using Web of Science, we conducted a literature search of studies published in international peer-reviewed journals between 1998 and 2013 in LMICs. The phrases we searched included six school outcomes: school enrolment, school attendance, grade progression, school dropout, primary to secondary school transition, and school completion. From our search, we recorded studies according to: 1) school outcomes; 2) whether longitudinal data were used; and 3) whether data from more than one country were analysed. Results The area of school access most published is enrolment followed by attendance and dropout. Primary to secondary school transition and grade progression had the least number of publications. Of 132 publications which we found to be relevant to school access, 33 made use of longitudinal data and 17 performed cross-country analyses. Conclusions The majority of studies published in international peer-reviewed journals on children's school access between 1998 and 2013 were focused on three outcomes: enrolment, attendance, and dropout. Few of these studies used data collected over time or data collected from more than one country for comparative analyses. The contribution of the INDEPTH Network in helping to address these gaps in the literature lies in the longitudinal design of HDSS surveys and in the diversity of countries within the network. PMID:26562137

Students' Perceptions regarding Their Impending Transition out of College

ERIC Educational Resources Information Center

Yazedjian, Ani; Kielaszek, Becki J.; Toews, Michelle L.

2010-01-01

Although researchers have argued students experience feelings of stress, fear, and uncertainty as they transition from college to work life, there is limited empirical research supporting this argument. Our study filled this gap by exploring 183 fourth-year students' perceptions regarding their impending transition out of the college environment.…

Crystal structures, Hirshfeld surface analysis, thermal behavior and dielectric properties of a new organic-inorganic hybrid [C6H10(NH3)2]Cu2Cl8

NASA Astrophysics Data System (ADS)

Salah, Najet; Hamdi, Besma; Bouzidia, Nabaa; Salah, Abdelhamid Ben

2017-12-01

A novel organic-inorganic hybrid sample [C6H10(NH3)2]Cu2Cl8 has been prepared under mild hydrothermal conditions and characterized by single crystal X-ray diffraction, Hirshfeld surface analysis, FT-IR,NMR and UV-Vis spectroscopies, differential scanning calorimetric and dielectric measurement. It is crystallized in the monoclinic system with P21/c space group. The cohesion and stabilization of the structure are provided by the hydrogen bond interactions, (Nsbnd H⋯Cl and Csbnd H⋯Cl), between [C6H10(NH3)2]2+ cation and [Cu2Cl8]2- anion. The Hirschfeld surface analysis has been performed to explore the behavior of these weak interactions. The presence of different functional groups and the nature of their vibrations were identified by FT-IR and Solid state NMR. The thermal study revealed that this compound undergoes two structural phase transitions around 353 and 376 K. Electrical measurements of our compounds have been investigated using complex impedance spectroscopy (CIS) in the frequency and temperature range 331-399 K and 200 Hz-5 MHz, respectively. The AC conductivity is explained using the correlated barrier hopping model (CBH) conduction mechanism. The nature of DC conductivity variation suggests Arrhenius type of electrical conductivity. A relationship between crystal structure and ionic conductivity was established and discussed. Finally, the real and imaginary parts of the permittivity constant are analyzed with the Cole-Cole formalism and the optical spectra indicate that the compound has a direct band gap (3.14 eV) due to direct transition. The wide band gap is due to low defect concentration in the grown crystal, which is more useful for the laser/optical applications.

Hybrid density functional theory band structure engineering in hematite

NASA Astrophysics Data System (ADS)

Pozun, Zachary D.; Henkelman, Graeme

2011-06-01

We present a hybrid density functional theory (DFT) study of doping effects in α-Fe2O3, hematite. Standard DFT underestimates the band gap by roughly 75% and incorrectly identifies hematite as a Mott-Hubbard insulator. Hybrid DFT accurately predicts the proper structural, magnetic, and electronic properties of hematite and, unlike the DFT+U method, does not contain d-electron specific empirical parameters. We find that using a screened functional that smoothly transitions from 12% exact exchange at short ranges to standard DFT at long range accurately reproduces the experimental band gap and other material properties. We then show that the antiferromagnetic symmetry in the pure α-Fe2O3 crystal is broken by all dopants and that the ligand field theory correctly predicts local magnetic moments on the dopants. We characterize the resulting band gaps for hematite doped by transition metals and the p-block post-transition metals. The specific case of Pd doping is investigated in order to correlate calculated doping energies and optical properties with experimentally observed photocatalytic behavior.

Voltage-induced switching of an antiferromagnetically ordered topological Dirac semimetal

NASA Astrophysics Data System (ADS)

Kim, Youngseok; Kang, Kisung; Schleife, André; Gilbert, Matthew J.

2018-04-01

An antiferromagnetic semimetal has been recently identified as a new member of topological semimetals that may host three-dimensional symmetry-protected Dirac fermions. A reorientation of the Néel vector may break the underlying symmetry and open a gap in the quasiparticle spectrum, inducing the (semi)metal-insulator transition. Here, we predict that such a transition may be controlled by manipulating the chemical potential location of the material. We perform both analytical and numerical analysis on the thermodynamic potential of the model Hamiltonian and find that the gapped spectrum is preferred when the chemical potential is located at the Dirac point. As the chemical potential deviates from the Dirac point, the system shows a possible transition from the gapped to the gapless phase and switches the corresponding Néel vector configuration. We perform density functional theory calculations to verify our analysis using a realistic material and discuss a two terminal transport measurement as a possible route to identify the voltage-induced switching of the Néel vector.

Heterotypic interactions regulate cell shape and density during color pattern formation in zebrafish.

PubMed

Mahalwar, Prateek; Singh, Ajeet Pratap; Fadeev, Andrey; Nüsslein-Volhard, Christiane; Irion, Uwe

2016-11-15

The conspicuous striped coloration of zebrafish is produced by cell-cell interactions among three different types of chromatophores: black melanophores, orange/yellow xanthophores and silvery/blue iridophores. During color pattern formation xanthophores undergo dramatic cell shape transitions and acquire different densities, leading to compact and orange xanthophores at high density in the light stripes, and stellate, faintly pigmented xanthophores at low density in the dark stripes. Here, we investigate the mechanistic basis of these cell behaviors in vivo, and show that local, heterotypic interactions with dense iridophores regulate xanthophore cell shape transition and density. Genetic analysis reveals a cell-autonomous requirement of gap junctions composed of Cx41.8 and Cx39.4 in xanthophores for their iridophore-dependent cell shape transition and increase in density in light-stripe regions. Initial melanophore-xanthophore interactions are independent of these gap junctions; however, subsequently they are also required to induce the acquisition of stellate shapes in xanthophores of the dark stripes. In summary, we conclude that, whereas homotypic interactions regulate xanthophore coverage in the skin, their cell shape transitions and density is regulated by gap junction-mediated, heterotypic interactions with iridophores and melanophores. © 2016. Published by The Company of Biologists Ltd.

Quantum transitions driven by one-bond defects in quantum Ising rings.

PubMed

Campostrini, Massimo; Pelissetto, Andrea; Vicari, Ettore

2015-04-01

We investigate quantum scaling phenomena driven by lower-dimensional defects in quantum Ising-like models. We consider quantum Ising rings in the presence of a bond defect. In the ordered phase, the system undergoes a quantum transition driven by the bond defect between a magnet phase, in which the gap decreases exponentially with increasing size, and a kink phase, in which the gap decreases instead with a power of the size. Close to the transition, the system shows a universal scaling behavior, which we characterize by computing, either analytically or numerically, scaling functions for the low-level energy differences and the two-point correlation function. We discuss the implications of these results for the nonequilibrium dynamics in the presence of a slowly varying parallel magnetic field h, when going across the first-order quantum transition at h=0.

A science framework (SF) for agricultural sustainability.

PubMed

Ahmed, Ferdous; Al-Amin, Abul Q; Masud, Muhammad M; Kari, Fatimah; Mohamad, Zeeda

2015-09-01

The significance of Science Framework (SF) to date is receiving more acceptances all over the world to address agricultural sustainability. The professional views, however, advocate that the SF known as Mega Science Framework (MSF) in the transitional economies is not converging effectively in many ways for the agricultural sustainability. Specially, MSF in transitional economies is mostly incapable to identify barriers in agricultural research, inadequate to frame policy gaps with the goal of strategizing the desired sustainability in agricultural technology and innovation, inconsistent in finding to identify the inequities, and incompleteness to rebuild decisions. Therefore, this study critically evaluates the components of MSF in transitional economies and appraises the significance, dispute and illegitimate issue to achieve successful sustainable development. A sound and an effective MSF can be developed when there is an inter-linkage within principal components such as of (a) national priorities, (b) specific research on agricultural sustainability, (c) adequate agricultural research and innovation, and (d) alternative policy alteration. This maiden piece of research which is first its kind has been conducted in order to outline the policy direction to have an effective science framework for agricultural sustainability.

Absorption coefficients of silicon: A theoretical treatment

NASA Astrophysics Data System (ADS)

Tsai, Chin-Yi

2018-05-01

A theoretical model with explicit formulas for calculating the optical absorption and gain coefficients of silicon is presented. It incorporates direct and indirect interband transitions and considers the effects of occupied/unoccupied carrier states. The indirect interband transition is calculated from the second-order time-independent perturbation theory of quantum mechanics by incorporating all eight possible routes of absorption or emission of photons and phonons. Absorption coefficients of silicon are calculated from these formulas. The agreements and discrepancies among the calculated results, the Rajkanan-Singh-Shewchun (RSS) formula, and Green's data are investigated and discussed. For example, the RSS formula tends to overestimate the contributions of indirect transitions for cases with high photon energy. The results show that the state occupied/unoccupied effect is almost negligible for silicon absorption coefficients up to the onset of the optical gain condition where the energy separation of Quasi-Femi levels between electrons and holes is larger than the band-gap energy. The usefulness of using the physics-based formulas, rather than semi-empirical fitting ones, for absorption coefficients in theoretical studies of photovoltaic devices is also discussed.

[Effects of forest gap size and light intensity on herbaceous plants in Pinus koraiensis-dominated broadleaved mixed forest].

PubMed

Duan, Wen-Biao; Wang, Li-Xia; Chen, Li-Xin; Du, Shan; Wei, Quan-Shuai; Zhao, Jian-Hui

2013-03-01

1 m x 1 m fixed quadrats were parallelly arranged with a space of 2 m in each of six forest gaps in Pinus koraiensis-dominated broadleaved mixed forest, taking the gap center as the starting point and along east-west and south-north directions. In each quadrat, the coverage and abundance of herbaceous plants at different height levels were investigated by estimation method in June and September 2011, and the matrix characteristics within the quadrats were recorded. Canopy analyzer was used to take fish-eye photos in the selected overcast days in each month from June to September, 2011, and the relative light intensity was calculated by using Gap Light Analyzer 2.0 software. The differences in the relative light intensity and herbaceous plants coverage and richness between different gaps as well as the correlations between the coverage of each species and the direct light, diffuse light, and matrix were analyzed. The results showed that in opening areas and under canopy, the relative light intensity in large gaps was higher than that in small gaps, and the variation ranges of diffuse light and direct light from gap center to gap edge were bigger in large gaps than in small gaps. The direct light reaching at the ground both in large gaps and in small gaps was higher in the north than in the south direction. In the Z1, Z2, Z3, and Z4 zones, both the coverage and the richness of herbaceous plants were larger in large gaps than in small gaps, and the differences of species richness between large and small gaps reached significant level. The coverage of the majority of the herbaceous plants had significant correlations with diffuse light and matrix, and only the coverage of a few herbaceous plants was correlated with direct light.

Newtype single-layer magnetic semiconductor in transition-metal dichalcogenides VX2 (X = S, Se and Te)

NASA Astrophysics Data System (ADS)

Fuh, Huei-Ru; Chang, Ching-Ray; Wang, Yin-Kuo; Evans, Richard F. L.; Chantrell, Roy W.; Jeng, Horng-Tay

2016-09-01

We present a newtype 2-dimensional (2D) magnetic semiconductor based on transition-metal dichalcogenides VX2 (X = S, Se and Te) via first-principles calculations. The obtained indirect band gaps of monolayer VS2, VSe2, and VTe2 given from the generalized gradient approximation (GGA) are respectively 0.05, 0.22, and 0.20 eV, all with integer magnetic moments of 1.0 μB. The GGA plus on-site Coulomb interaction U (GGA + U) enhances the exchange splittings and raises the energy gap up to 0.38~0.65 eV. By adopting the GW approximation, we obtain converged G0W0 gaps of 1.3, 1.2, and 0.7 eV for VS2, VSe2, and VTe2 monolayers, respectively. They agree very well with our calculated HSE gaps of 1.1, 1.2, and 0.6 eV, respectively. The gap sizes as well as the metal-insulator transitions are tunable by applying the in-plane strain and/or changing the number of stacking layers. The Monte Carlo simulations illustrate very high Curie-temperatures of 292, 472, and 553 K for VS2, VSe2, and VTe2 monolayers, respectively. They are nearly or well beyond the room temperature. Combining the semiconducting energy gap, the 100% spin polarized valence and conduction bands, the room temperature TC, and the in-plane magnetic anisotropy together in a single layer VX2, this newtype 2D magnetic semiconductor shows great potential in future spintronics.

Monazite-type SrCr O 4 under compression

DOE PAGES

Gleissner, J.; Errandonea, Daniel; Segura, A.; ...

2016-10-20

We report a high-pressure study of monoclinic monazite-type SrCrO 4 up to 26 GPa. Therein we combined x-ray diffraction, Raman, and optical-absorption measurements with ab initio calculations, to find a pressure-induced structural phase transition of SrCrO 4 near 8-9 GPa. Evidence of a second phase transition was observed at 10-13 GPa. The crystal structures of the high-pressure phases were assigned to the tetragonal scheelite-type and monoclinic AgMnO 4-type structures. Both transitions produce drastic changes in the electronic band gap and phonon spectrum of SrCrO 4. We determined the pressure evolution of the band gap for the low- and high-pressure phasesmore » as well as the frequencies and pressure dependencies of the Raman-active modes. In all three phases most Raman modes harden under compression, however the presence of low-frequency modes which gradually soften is also detected. In monazite-type SrCrO 4, the band gap blueshifts under compression, but the transition to the scheelite phase causes an abrupt decrease of the band gap in SrCrO 4. Calculations showed good agreement with experiments and were used to better understand the experimental results. From x-ray-diffraction studies and calculations we determined the pressure dependence of the unit-cell parameters of the different phases and their ambient-temperature equations of state. The results are compared with the high-pressure behavior of other monazites, in particular PbCrO 4. A comparison of the high-pressure behavior of the electronic properties of SrCrO 4 (SrWO 4) and PbCrO 4 (PbWO 4) will also be made. Lastly, the possible occurrence of a third structural phase transition is discussed.« less

HEALTH CARE TRANSITION IN YOUNG ADULTS WITH TYPE 1 DIABETES: BARRIERS TO TIMELY ESTABLISHMENT OF ADULT DIABETES CARE

PubMed Central

Garvey, Katharine C.; Wolpert, Howard A.; Laffel, Lori M.; Rhodes, Erinn T.; Wolfsdorf, Joseph I.; Finkelstein, Jonathan A.

2014-01-01

Objective To examine barriers to health care transition reported by young adults with type 1 diabetes and associations between barriers and prolonged gaps between pediatric and adult diabetes care. Methods We surveyed young adults aged 22 to 30 years with type 1 diabetes about their transition experiences, including barriers to timely establishment of adult diabetes care. We evaluated relationships between barriers and gaps in care using multivariate logistic regression. Results The response rate was 53% (258 of 484 eligible subjects). Respondents (62% female) were 26.7 ± 2.4 years old and transitioned to adult diabetes care at 19.5 ± 2.9 years. Reported barriers included lack of specific adult provider referral name (47%) or contact information (27%), competing life priorities (43%), difficulty getting an appointment (41%), feeling upset about leaving pediatrics (24%), and insurance problems (10%). In multivariate analysis, barriers most strongly associated with gaps in care >6 months were lack of adult provider name (odds ratio [OR], 6.1; 95% confidence interval [CI], 3.0–12.7) or contact information (OR, 5.3; 95% CI, 2.0–13.9), competing life priorities (OR, 5.2; 95% CI, 2.7–10.3), and insurance problems (OR, 3.5; 95% CI, 1.2–10.3). Overall, respondents reporting ≥1 moderate/major barrier (48%) had 4.7-fold greater adjusted odds of a gap in care >6 months (95% CI, 2.8–8.7). Conclusion Significant barriers to transition, such as a lack of specific adult provider referrals, may be addressed with more robust preparation by pediatric providers and care coordination. Further study is needed to evaluate strategies to improve young adult self-care in the setting of competing life priorities. PMID:23807526

Modeling Plasma Formation in a Micro-gap at Microwave Frequency

NASA Astrophysics Data System (ADS)

Bowman, Arthur; Remillard, Stephen

2013-03-01

In the presence of a strong electric field, gas molecules become ionized, forming a plasma. The study of this dielectric breakdown at microwave frequency has important applications in improving the operation of radio frequency (RF) devices, where the high electric fields present in small gaps can easily ionize gases like air. A cone and tuner resonant structure was used to induce breakdown of diatomic Nitrogen in adjustable micro-gaps ranging from 13 to 1,156 μm. The electric field for plasma formation exhibited strong pressure dependence in the larger gap sizes, as predicted by previous theoretical and experimental work. Pressure is proportional to the frequency of collision between electrons and molecules, which increases with pressure when the gap is large, but levels off in the micro-gap region. A separate model of the breakdown electric field based on the characteristic diffusion length of the plasma also fit the data poorly for these smaller gap sizes. This may be explained by a hypothesis that dielectric breakdown at and below the 100 μm gap size occurs outside the gap, an argument that is supported by the observation of very high breakdown threshold electric fields in this region. Optical emissions revealed that vibrational and rotational molecular transitions of the first positive electronic system are suppressed in micro-gaps, indicating that transitions into the molecular ground state do not occur in micro-gap plasmas. Acknowledgements: National Science Foundation under NSF-REU Grant No. PHY/DMR-1004811, the Provost's Office of Hope College, and the Hope College Division of Natural and Applied Sciences.

Involving the male partner for interpreting the basal body temperature graph.

PubMed

Dunlop, A L; Allen, A S; Frank, E

2001-07-01

To determine if the male cohabiting partner of a woman may serve as a control for exogenous influences on basal body temperature (BBT). Twelve couples from the Atlanta area were enrolled for a total of 41 couple-cycles. Couples recorded their oral temperatures daily and used urinary test kits for luteinizing hormone to estimate the day of ovulation. The covariability between the pre-ovulatory temperature of the women and their partners was assessed. The gaps in the couples' temperatures (female temperature minus male temperature) were compared in the pre- and postovulatory phases. Considerable covariability was found between temperatures of partners in the pre-ovulatory phase (covariance parameter = 0.49; P <.001). The pre- and postovulatory temperature gaps for all couples were significantly different in size (P <.001). For all couple-cycles, the size of the mean postovulatory temperature gap was at least 0.3-degree Fahrenheit greater than the mean pre-ovulatory temperature gap. Recording the BBT of women's partners may improve interpretation and accuracy of the BBT method. An increase in the size of a couple's temperature gap accompanies the transition from the pre- to the postovulatory phase. By this method, a given couple could determine their unique temperature gap indicating this transition.

Pressure-induced phase transitions in the CdC r2S e4 spinel

NASA Astrophysics Data System (ADS)

Efthimiopoulos, I.; Liu, Z. T. Y.; Kucway, M.; Khare, S. V.; Sarin, P.; Tsurkan, V.; Loidl, A.; Wang, Y.

2016-11-01

We have conducted high-pressure x-ray diffraction and Raman spectroscopic studies on the CdC r2S e4 spinel at room temperature up to 42 GPa. We have resolved three structural transitions up to 42 GPa, i.e., the starting F d 3 ¯m phase transforms at ˜11 GPa into a tetragonal I 41/a m d structure, an orthorhombic distortion was observed at ˜15 GPa , whereas structural disorder initiates beyond 25 GPa. Our ab initio density functional theory studies successfully reproduced the observed crystalline-to-crystalline structural transitions. In addition, our calculations propose an antiferromagnetic ordering as a potential magnetic ground state for the high-pressure tetragonal and orthorhombic modifications, compared with the starting ferromagnetic phase. Furthermore, the computational results indicate that all phases remain insulating in their stability pressure range, with a direct-to-indirect band gap transition for the F d 3 ¯m phase taking place at 5 GPa. We attempted also to offer an explanation behind the peculiar first-order character of the F d 3 ¯m (cubic ) →I 41/a m d (tetragonal) transition observed for several relevant Cr spinels, i.e., the sizeable volume change at the transition point, which is not expected from space group symmetry considerations. We detected a clear correlation between the cubic-tetragonal transition pressures and the next-nearest-neighbor magnetic exchange interactions for the Cr-bearing sulfide and selenide members, a strong indication that the cubic-tetragonal transitions in these systems are principally governed by magnetic effects.

Improving the quality of transition and transfer of care in young adults with congenital heart disease.

PubMed

Everitt, Ian K; Gerardin, Jennifer F; Rodriguez, Fred H; Book, Wendy M

2017-05-01

The transition and transfer from pediatric to adult care is becoming increasingly important as improvements in the diagnosis and management of congenital heart disease allow patients to live longer. Transition is a complex and continuous process that requires careful planning. Inadequate transition has adverse effects on patients, their families and healthcare delivery systems. Currently, significant gaps exist in patient care as adolescents transfer to adult care and there are little data to drive the informed management of transition and transfer of care in adolescent congenital heart disease patients. Appropriate congenital heart disease care has been shown to decrease mortality in the adult population. This paper reviews the transition and transfer of care processes and outlines current congenital heart disease specific guidelines in the United States and compares these recommendations to Canadian and European guidelines. It then reviews perceived and real barriers to successful transition and identifies predictors of success during transfer to adult congenital heart disease care. Lastly, it explores how disease-specific markers of outcomes and quality indicators are being utilized to guide transition and transfer of care in other chronic childhood illnesses, and identifies existing knowledge gaps and structural impediments to improving the management of transition and transfer among congenital heart disease patients. © 2017 Wiley Periodicals, Inc.

Axial gap rotating electrical machine

DOEpatents

None

2016-02-23

Direct drive rotating electrical machines with axial air gaps are disclosed. In these machines, a rotor ring and stator ring define an axial air gap between them. Sets of gap-maintaining rolling supports bear between the rotor ring and the stator ring at their peripheries to maintain the axial air gap. Also disclosed are wind turbines using these generators, and structures and methods for mounting direct drive rotating electrical generators to the hubs of wind turbines. In particular, the rotor ring of the generator may be carried directly by the hub of a wind turbine to rotate relative to a shaft without being mounted directly to the shaft.

Adiabatic quenches and characterization of amplitude excitations in a continuous quantum phase transition

PubMed Central

Hoang, Thai M.; Bharath, Hebbe M.; Boguslawski, Matthew J.; Anquez, Martin; Robbins, Bryce A.; Chapman, Michael S.

2016-01-01

Spontaneous symmetry breaking occurs in a physical system whenever the ground state does not share the symmetry of the underlying theory, e.g., the Hamiltonian. This mechanism gives rise to massless Nambu–Goldstone modes and massive Anderson–Higgs modes. These modes provide a fundamental understanding of matter in the Universe and appear as collective phase or amplitude excitations of an order parameter in a many-body system. The amplitude excitation plays a crucial role in determining the critical exponents governing universal nonequilibrium dynamics in the Kibble–Zurek mechanism (KZM). Here, we characterize the amplitude excitations in a spin-1 condensate and measure the energy gap for different phases of the quantum phase transition. At the quantum critical point of the transition, finite-size effects lead to a nonzero gap. Our measurements are consistent with this prediction, and furthermore, we demonstrate an adiabatic quench through the phase transition, which is forbidden at the mean field level. This work paves the way toward generating entanglement through an adiabatic phase transition. PMID:27503886

First principles study on structural, electronic and optical properties of Ga1-xBxP ternary alloys (x = 0, 0.25, 0.5, 0.75 and 1)

NASA Astrophysics Data System (ADS)

Hoat, D. M.; Rivas Silva, J. F.; Méndez Blas, A.

2018-07-01

The structural, electronic and optical properties of GaP, BP binary compounds and their ternary alloys Ga1-xBxP (x = 0.25, 0.5 and 0.75) have been studied by full-potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT) as implemented in WIEN2k package. Local density approximation (LDA) and generalized gradient approximation (GGA) as proposed by Perdew-Burke-Ernzerhof (PBE), Wu-Cohen (WC) and PBE for solid (PBESol) were used for treatment of exchange-correlation effect in calculations. Additionally, the Tran-Blaha modified Becke-Johnson (mBJ) potential was also employed for electronic and optical calculations due to that it gives very accurate band gap of solids. As B concentration increases, the lattice constant reduces and the energy band gap firstly decreases for small composition x and then it shows increasing trend until pure BP. Our results show that the indirect-direct band gap transition can be reached from x = 0.33. The linear optical properties, such as reflectivity, absorption coefficient, refractive index and optical conductivity of binary compounds and ternary alloys were derived from their calculated complex dielectric function in wide energy range up to 30 eV, and the alloying effect on these properties was also analyzed in detail.

Shape transition with temperature of the pear-shaped nuclei in covariant density functional theory

DOE PAGES

Zhang, Wei; Niu, Yi-Fei

2017-11-10

The shape evolutions of the pear-shaped nucleimore » $$^{224}$$Ra and even-even $$^{144-154}$$Ba with temperature are investigated by the finite-temperature relativistic mean field theory with the treatment of pairing correlations by the BCS approach. We study the free energy surfaces as well as the bulk properties including deformations, pairing gaps, excitation energy, and specific heat for the global minimum. For $$^{224}$$Ra, three discontinuities found in the specific heat curve indicate the pairing transition at temperature 0.4 MeV, and two shape transitions at temperatures 0.9 and 1.0 MeV, namely one from quadrupole-octupole deformed to quadrupole deformed, and the other from quadrupole deformed to spherical. Furthermore, the gaps at $N$=136 and $Z$=88 are responsible for stabilizing the octupole-deformed global minimum at low temperatures. Similar pairing transition at $$T\\sim$$0.5 MeV and shape transitions at $T$=0.5-2.2 MeV are found for even-even $$^{144-154}$$Ba. Finally, the transition temperatures are roughly proportional to the corresponding deformations at the ground states.« less

On the sub-band gap optical absorption in heat treated cadmium sulphide thin film deposited on glass by chemical bath deposition technique

NASA Astrophysics Data System (ADS)

Chattopadhyay, P.; Karim, B.; Guha Roy, S.

2013-12-01

The sub-band gap optical absorption in chemical bath deposited cadmium sulphide thin films annealed at different temperatures has been critically analyzed with special reference to Urbach relation. It has been found that the absorption co-efficient of the material in the sub-band gap region is nearly constant up to a certain critical value of the photon energy. However, as the photon energy exceeds the critical value, the absorption coefficient increases exponentially indicating the dominance of Urbach rule. The absorption coefficients in the constant absorption region and the Urbach region have been found to be sensitive to annealing temperature. A critical examination of the temperature dependence of the absorption coefficient indicates two different kinds of optical transitions to be operative in the sub-band gap region. After a careful analyses of SEM images, energy dispersive x-ray spectra, and the dc current-voltage characteristics, we conclude that the absorption spectra in the sub-band gap domain is possibly associated with optical transition processes involving deep levels and the grain boundary states of the material.

Two Topologically Distinct Dirac-Line Semimetal Phases and Topological Phase Transitions in Rhombohedrally Stacked Honeycomb Lattices

NASA Astrophysics Data System (ADS)

Hyart, T.; Ojajärvi, R.; Heikkilä, T. T.

2018-04-01

Three-dimensional topological semimetals can support band crossings along one-dimensional curves in the momentum space (nodal lines or Dirac lines) protected by structural symmetries and topology. We consider rhombohedrally (ABC) stacked honeycomb lattices supporting Dirac lines protected by time-reversal, inversion and spin rotation symmetries. For typical band structure parameters there exists a pair of nodal lines in the momentum space extending through the whole Brillouin zone in the stacking direction. We show that these Dirac lines are topologically distinct from the usual Dirac lines which form closed loops inside the Brillouin zone. In particular, an energy gap can be opened only by first merging the Dirac lines going through the Brillouin zone in a pairwise manner so that they turn into closed loops inside the Brillouin zone, and then by shrinking these loops into points. We show that this kind of topological phase transition can occur in rhombohedrally stacked honeycomb lattices by tuning the ratio of the tunneling amplitudes in the directions perpendicular and parallel to the layers. We also discuss the properties of the surface states in the different phases of the model.

The Architecture of the LkCa 15 Transitional Disk Revealed by High-contrast Imaging

NASA Technical Reports Server (NTRS)

Thalmann, C.; Mulders, G. D.; Hodapp, K.; Janson, M.; Grady, C. A.; Min, M.; deJuanOvelar, M.; Carson, J.; Brandt, T.; Bonnefoy, M.;

The Architecture of the LkCa 15 Transitional Disk Revealed By High-Contrast Imaging

NASA Technical Reports Server (NTRS)

Thalmann, C.; Mulders, G. D.; Hodapp, K.; Janson, M.; Grady, C.A.; Min, M.; de Juan Ovelar, M.; Carson, J.; Brandt, T.; Bonnefoy, M.;

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

NASA Astrophysics Data System (ADS)

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

2013-05-01

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

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Towards band structure and band offset engineering of monolayer Mo(1-x)W(x)S2 via Strain

NASA Astrophysics Data System (ADS)

Kim, Joon-Seok; Ahmad, Rafia; Pandey, Tribhuwan; Rai, Amritesh; Feng, Simin; Yang, Jing; Lin, Zhong; Terrones, Mauricio; Banerjee, Sanjay K.; Singh, Abhishek K.; Akinwande, Deji; Lin, Jung-Fu

2018-01-01

Semiconducting transition metal dichalcogenides (TMDs) demonstrate a wide range of optoelectronic properties due to their diverse elemental compositions, and are promising candidates for next-generation optoelectronics and energy harvesting devices. However, effective band offset engineering is required to implement practical structures with desirable functionalities. Here, we explore the pressure-induced band structure evolution of monolayer WS2 and Mo0.5W0.5S2 using hydrostatic compressive strain applied in a diamond anvil cell (DAC) apparatus and theoretical calculations, in order to study the modulation of band structure and explore the possibility of band alignment engineering through different compositions. Higher W composition in Mo(1-x)W(x)S2 contributes to a greater pressure-sensitivity of direct band gap opening, with a maximum value of 54 meV GPa-1 in WS2. Interestingly, while the conduction band minima (CBMs) remains largely unchanged after the rapid gap increase, valence band maxima (VBMs) significantly rise above the initial values. It is suggested that the pressure- and composition-engineering could introduce a wide variety of band alignments including type I, type II, and type III heterojunctions, and allow to construct precise structures with desirable functionalities. No structural transition is observed during the pressure experiments, implying the pressure could provide selective modulation of band offset.

Optical and electronic properties of 2 H -Mo S2 under pressure: Revealing the spin-polarized nature of bulk electronic bands

NASA Astrophysics Data System (ADS)

Brotons-Gisbert, Mauro; Segura, Alfredo; Robles, Roberto; Canadell, Enric; Ordejón, Pablo; Sánchez-Royo, Juan F.

2018-05-01

Monolayers of transition-metal dichalcogenide semiconductors present spin-valley locked electronic bands, a property with applications in valleytronics and spintronics that is usually believed to be absent in their centrosymmetric (as the bilayer or bulk) counterparts. Here we show that bulk 2 H -Mo S2 hides a spin-polarized nature of states determining its direct band gap, with the spin sequence of valence and conduction bands expected for its single layer. This relevant finding is attained by investigating the behavior of the binding energy of A and B excitons under high pressure, by means of absorption measurements and density-functional-theory calculations. These results raise an unusual situation in which bright and dark exciton degeneracy is naturally broken in a centrosymmetric material. Additionally, the phonon-assisted scattering process of excitons has been studied by analyzing the pressure dependence of the linewidth of discrete excitons observed at the absorption coefficient edge of 2 H -Mo S2 . Also, the pressure dependence of the indirect optical transitions of bulk 2 H -Mo S2 has been analyzed by absorption measurements and density-functional-theory calculations. These results reflect a progressive closure of the indirect band gap as pressure increases, indicating that metallization of bulk Mo S2 may occur at pressures higher than 26 GPa.

A controllable robust multiferroic GaTeCl monolayer with colossal 2D ferroelectricity and desirable multifunctionality.

PubMed

Zhang, Shi-Hao; Liu, Bang-Gui

2018-03-29

We propose through first-principles investigation that the GaTeCl monolayer is an excellent two-dimensional (2D) multiferroic with giant mechanical anisotropy. The calculated phonon spectrum, molecular dynamic simulations, and elastic moduli confirm its dynamic and mechanical stability, and our cleavage energy analysis shows that exfoliating one GaTeCl monolayer from the existing GaTeCl bulk is feasible. The calculated in-plane ferroelectric polarization reaches 578 pC m-1. The energy barriers per formula unit of the ferroelastic 90° rotational and ferroelectric reversal transitions are 476 meV and 754 meV, respectively, being the greatest in the 2D multiferroics family so far. Importantly, on the other hand, a tensile stress of 4.7 N m-1 perpendicular to the polarization can drive the polarization to rotate by 90°. These can make the GaTeCl monolayer have not only robust ferroelasticity and ferroelectricity but also easy mechanical controllability. Furthermore, the GaTeCl monolayer has giant piezoelectricity and optical second harmonic generation, especially in the range of visible light, and a tensile stress of 0.3 N m-1 along the polarization can make the indirect gap transit to the direct gap. These interesting mechanical, electronic, and optical properties of the GaTeCl monolayer show its great potential in high-performance multi-functional applications.

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

PubMed

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

2018-05-25

As a research upsurge, van der Waals (vdW) heterostructures give rise to numerous combined merits and novel applications in nanoelectronics fields. Here, we systematically investigate the electronic structure of MnPSe 3 /CrSiTe 3 vdW heterostructures with various stacking patterns. Then, particular attention of this work is paid on the band structure modulations in MnPSe 3 /CrSiTe 3 vdW heterostructures via biaxial strain or electric field. Under a tensile strain, the relative band edge positions of heterostructures transform from type-I (nested) to type-II (staggered). The relocation of conduction band minimum also brings about a transition from indirect to direct band gap. Under a compressive strain, the electronic properties change from semiconducting to metallic. The physical mechanism of strain-dependent band structure may be ascribed to the shifts of the energy bands impelled by different superposition of atomic orbitals. Meanwhile, our calculations manifest that band gap values of MnPSe 3 /CrSiTe 3 heterostructures are insensitive to the electric field. Even so, by applying a suitable intensity of negative electric field, the band alignment transition from type-I to type-II can also be realized. The efficient band structure modulations via external factors endow MnPSe 3 /CrSiTe 3 heterostructures with great potential in novel applications, such as strain sensors, photocatalysis, spintronic and photoelectronic devices.

GAPS IN PROTOPLANETARY DISKS AS SIGNATURES OF PLANETS. II. INCLINED DISKS

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

Jang-Condell, Hannah; Turner, Neal J.

2013-07-20

We examine the observational appearance of partial gaps being opened by planets in protoplanetary disks, considering the effects of the inclination relative to the line of sight. We model the disks with static {alpha}-models with detailed radiative transfer, parameterizing the shape and size of the partially cleared gaps based on the results of hydrodynamic simulations. As in previous work, starlight falling across the gap leads to high surface brightness contrasts. The gap's trough is darkened by both shadowing and cooling, relative to the uninterrupted disk. The gap's outer wall is brightened by direct illumination and also by heating, which puffsmore » it up so that it intercepts more starlight. In this paper, we examine the effects of inclination on resolved images of disks with and without gaps at a wide range of wavelengths. The scattering surface's offset from the disk midplane creates a brightness asymmetry along the axis of inclination, making the disk's near side appear brighter than the far side in scattered light. Finite disk thickness also causes the projected distances of equidistant points on the disk surface to be smaller on the near side of the disk as compared to the far side. Consequently, the gap shoulder on the near side of the disk should appear brighter and closer to the star than on the far side. However, if the angular resolution of the observation is coarser than the width of the brightened gap shoulder, then the gap shoulder on the far side may appear brighter because of its larger apparent size. We present a formula to recover the scale height and inclination angle of an imaged disk using simple geometric arguments and measuring disk asymmetries. Resolved images of circumstellar disks have revealed clearings and gaps, such as the transitional disk in LkCa 15. Models created using our synthetic imaging attempting to match the morphology of observed scattered light images of LkCa 15 indicate that the H-band flux deficit in the inner {approx}0.''5 of the disk can be explained with a planet if mass is greater than 0.5 Jupiter mass.« less

Landau-level spectroscopy of massive Dirac fermions in single-crystalline ZrTe5 thin flakes

NASA Astrophysics Data System (ADS)

Jiang, Y.; Dun, Z. L.; Zhou, H. D.; Lu, Z.; Chen, K.-W.; Moon, S.; Besara, T.; Siegrist, T. M.; Baumbach, R. E.; Smirnov, D.; Jiang, Z.

2017-07-01

We report infrared magnetospectroscopy studies on thin crystals of an emerging Dirac material ZrTe5 near the intrinsic limit. The observed structure of the Landau-level transitions and zero-field infrared absorption indicate a two-dimensional Dirac-like electronic structure, similar to that in graphene but with a small relativistic mass corresponding to a 9.4-meV energy gap. Measurements with circularly polarized light reveal a significant electron-hole asymmetry, which leads to splitting of the Landau-level transitions at high magnetic fields. Our model, based on the Bernevig-Hughes-Zhang effective Hamiltonian, quantitatively explains all observed transitions, determining the values of the Fermi velocity, Dirac mass (or gap), electron-hole asymmetry, and electron and hole g factors.

Pressure-induced phase transition of KTa1/2Nb1/2O3 solid solutions: A first-principles study

NASA Astrophysics Data System (ADS)

Zhang, Huadi; Liu, Bing; Zhang, Cong; Qiu, Chengcheng; Wang, Xuping; Zhang, Yuanyuan; Lv, Xianshun; Wei, Lei; Li, Qinggang

2018-05-01

The structures and electronic properties of KTa1/2Nb1/2O3 under high pressures have been investigated using the first-principles calculations. Three candidates with B site cation ordered along the [1 0 0], [1 1 0] and [1 1 1] directions are found stable under different pressures by thermodynamics, mechanics and dynamics stability criteria. Further electronic analysis indicates that three structures are semiconductors with different band-gap characteristics. The peculiar chemical bonds of Nb-O and Ta-O are expected to be related to the different electronegativity of the corresponding cations.

"Freezing" of nanoconfined fluids under an electric field.

PubMed

Xie, Guoxin; Luo, Jianbin; Liu, Shuhai; Guo, Dan; Zhang, Chenhui

2010-02-02

The problem of the solidlike transition of fluids in a nanogap has drawn much fundamental and practical attention. Here, we directly observed the disappearance of the fluidity of liquids confined within a gap with a surface separation of >10 nm under an EF in a ball-plate system, which is called the "freezing" of liquids. The flow of the nanoconfined liquid became very weak as the EF intensity was increased to a critical value and was correlated with the liquid polarity and the film thickness. It is deduced that the EF can induce more liquid molecules to be aligned to form more ordered layers in the nanogap.

"The Luxurious Daughters of Artificial Life": Female "Delicacy" and Pain in Late-Victorian Advice Literature.

PubMed

Wood, Whitney

2014-01-01

The second half of the 19th century marked the rise of obstetrics as a legitimate physician-dominated medical specialty. In this period of transition, distanced from traditional cultures of social childbirth but not yet embracing hospital deliveries, many middle-class North American women turned to prescriptive literature to fill a crucial gap. In the medical advice they directed at young wives and expectant mothers, physicians consistently emphasized the middle-class woman's heightened sensitivity to the pain of giving birth, relying on arguments that resonated with the class, gender, and racial tensions of the late-Victorian period while consistently reaffirming physicians' expanding authority.

Scalable hydrothermal synthesis of free-standing VO₂ nanowires in the M1 phase.

PubMed

Horrocks, Gregory A; Singh, Sujay; Likely, Maliek F; Sambandamurthy, G; Banerjee, Sarbajit

2014-09-24

VO2 nanostructures derived from solution-phase methods are often plagued by broadened and relatively diminished metal-insulator transitions and adventitious doping due to imperfect control of stoichiometry. Here, we demonstrate a stepwise scalable hydrothermal and annealing route for obtaining VO2 nanowires exhibiting almost 4 orders of magnitude abrupt (within 1 °C) metal-insulator transitions. The prepared nanowires have been characterized across their structural and electronic phase transitions using single-nanowire Raman microprobe analysis, ensemble differential scanning calorimetry, and single-nanowire electrical transport measurements. The electrical band gap is determined to be 600 meV and is consistent with the optical band gap of VO2, and the narrowness of differential scanning calorimetry profiles indicates homogeneity of stoichiometry. The preparation of high-quality free-standing nanowires exhibiting pronounced metal-insulator transitions by a solution-phase process allows for scalability, further solution-phase processing, incorporation within nanocomposites, and integration onto arbitrary substrates.

Charge density wave properties of the quasi two-dimensional purple molybdenum bronze KMo 6O 17

NASA Astrophysics Data System (ADS)

Balaska, H.; Dumas, J.; Guyot, H.; Mallet, P.; Marcus, J.; Schlenker, C.; Veuillen, J. Y.; Vignolles, D.

2005-06-01

The purple molybdenum bronze KMo 6O 17 is a quasi-two-dimensional compound which shows a Peierls transition towards a commensurate metallic CDW state. Electron spectroscopy (ARUPS), Scanning Tunnelling Microscopy (STM) and spectroscopy (STS) as well as high magnetic field studies are reported. ARUPS studies corroborate the model of the hidden nesting and provide a value of the CDW vector in good agreement with other measurements. STM studies visualize the triple- q CDW in real space. This is consistent with other measurements of the CDW vector. STS studies provide a value of several 10 meV for the average CDW gap. High magnetic field measurements performed in pulsed fields up to 55 T establish that first order transitions to smaller gap states take place at low temperature. These transitions are ascribed to Pauli type coupling. A phase diagram summarizing all observed anomalies and transitions is presented.

Disorder-induced half-integer quantized conductance plateau in quantum anomalous Hall insulator-superconductor structures

NASA Astrophysics Data System (ADS)

Huang, Yingyi; Setiawan, F.; Sau, Jay D.

2018-03-01

A weak superconducting proximity effect in the vicinity of the topological transition of a quantum anomalous Hall system has been proposed as a venue to realize a topological superconductor (TSC) with chiral Majorana edge modes (CMEMs). A recent experiment [Science 357, 294 (2017), 10.1126/science.aag2792] claimed to have observed such CMEMs in the form of a half-integer quantized conductance plateau in the two-terminal transport measurement of a quantum anomalous Hall-superconductor junction. Although the presence of a superconducting proximity effect generically splits the quantum Hall transition into two phase transitions with a gapped TSC in between, in this Rapid Communication we propose that a nearly flat conductance plateau, similar to that expected from CMEMs, can also arise from the percolation of quantum Hall edges well before the onset of the TSC or at temperatures much above the TSC gap. Our Rapid Communication, therefore, suggests that, in order to confirm the TSC, it is necessary to supplement the observation of the half-quantized conductance plateau with a hard superconducting gap (which is unlikely for a disordered system) from the conductance measurements or the heat transport measurement of the transport gap. Alternatively, the half-quantized thermal conductance would also serve as a smoking-gun signature of the TSC.

Gap features of layered iron-selenium-tellurium compound below and above the superconducting transition temperature by break-junction spectroscopy combined with STS

NASA Astrophysics Data System (ADS)

Ekino, T.; Sugimoto, A.; Gabovich, A. M.

2018-05-01

We studied correlations between the superconducting gap features of Te-substituted FeSe observed by scanning tunnelling spectroscopy (STS) and break-junction tunnelling spectroscopy (BJTS). At bias voltages outside the superconducting gap-energy range, the broad gap structure exists, which becomes the normal-state gap above the critical temperature, T c. Such behaviour is consistent with the model of the partially gapped density-wave superconductor involving both superconducting gaps and pseudogaps, which has been applied by us earlier to high-Tc cuprates. The similarity suggests that the parent electronic spectrum features should have much in common for these classes of materials.

Dynamic Photochemical and Optoelectronic Control of Photonic Fano Resonances via Monolayer MoS2 Trions.

PubMed

Zhang, Xingwang; Biekert, Nicolas; Choi, Shinhyuk; Naylor, Carl H; De-Eknamkul, Chawina; Huang, Wenzhuo; Zhang, Xiaojie; Zheng, Xiaorui; Wang, Dake; Johnson, A T Charlie; Cubukcu, Ertugrul

2018-02-14

Active tunability of photonic resonances is of great interest for various applications such as optical switching and modulation based on optoelectronic materials. Manipulation of charged excitons in atomically thin transition metal dichalcogenides (TMDCs) like monolayer MoS 2 offers an unexplored route for diverse functionalities in optoelectronic nanodevices. Here, we experimentally demonstrate the dynamic photochemical and optoelectronic control of the photonic crystal Fano resonances by optical and electrical tuning of monolayer MoS 2 refractive index via trions without any chemical treatment. The strong spatial and spectral overlap between the photonic Fano mode and the active MoS 2 monolayer enables efficient modulation of the Fano resonance. Our approach offers new directions for potential applications in the development of optical modulators based on emerging 2D direct band gap semiconductors.

Structural and optical properties of WTe2 single crystals synthesized by DVT technique

NASA Astrophysics Data System (ADS)

Dixit, Vijay; Vyas, Chirag; Pathak, V. M.; Soalanki, G. K.; Patel, K. D.

2018-05-01

Layered transition metal di-chalcogenide (LTMDCs) crystals have attracted much attention due to their potential in optoelectronic device applications recently due to realization of their monolayer based structures. In the present investigation we report growth of WTe2 single crystals by direct vapor transport (DVT) technique. These crystals are then characterized by energy dispersive analysis of x-rays (EDAX) to study stoichiometric composition after growth. The structural properties are studied by x-ray diffraction (XRD) and selected area electron diffraction (SAED) is used to confirm orthorhombic structure of grown WTe2 crystal. Surface morphological properties of the crystals are also studied by scanning electron microscope (SEM). The optical properties of the grown crystals are studied by UV-Visible spectroscopy which gives direct band gap of 1.44 eV for grown WTe2 single crystals.

Investigation of the structural, optical and electrical transport properties of n-doped CdSe thin films

NASA Astrophysics Data System (ADS)

Ali, H. M.; Abd El-Ghanny, H. A.

2008-04-01

Thin films of (CdSe)90(In2O3)10, (CdSe)90(SnO2)10 and (CdSe)90(ZnO)10 have been grown on glass substrates by the electron beam evaporation technique. It has been found that undoped and Sn or In doped CdSe films have two direct transitions corresponding to the energy gaps Eg and Eg+Δ due to spin-orbit splitting of the valence band. The electrical resistivity for n-doped CdSe thin films as a function of light exposure time has been studied. The influence of doping on the structural, optical and electrical characteristics of In doped CdSe films has been investigated in detail. The lattice parameters, grain size and dislocation were determined from x-ray diffraction patterns. The optical transmittance and band gap of these films were determined using a double beam spectrophotometer. The DC conductivity of the films was measured in vacuum using a two-probe technique.

Observation of Phase-Filling Singularities in the Optical Dielectric Function of Highly Doped n-Type Ge.

PubMed

Xu, Chi; Fernando, Nalin S; Zollner, Stefan; Kouvetakis, John; Menéndez, José

2017-06-30

Phase-filling singularities in the optical response function of highly doped (>10^{19}  cm^{-3}) germanium are theoretically predicted and experimentally confirmed using spectroscopic ellipsometry. Contrary to direct-gap semiconductors, which display the well-known Burstein-Moss phenomenology upon doping, the critical point in the joint density of electronic states associated with the partially filled conduction band in n-Ge corresponds to the so-called E_{1} and E_{1}+Δ_{1} transitions, which are two-dimensional in character. As a result of this reduced dimensionality, there is no edge shift induced by Pauli blocking. Instead, one observes the "original" critical point (shifted only by band gap renormalization) and an additional feature associated with the level occupation discontinuity at the Fermi level. The experimental observation of this feature is made possible by the recent development of low-temperature, in situ doping techniques that allow the fabrication of highly doped films with exceptionally flat doping profiles.

Ultrafast Band Engineering and Transient Spin Currents in Antiferromagnetic Oxides

NASA Astrophysics Data System (ADS)

Gu, Mingqiang; Rondinelli, James M.

2016-04-01

We report a dynamic structure and band engineering strategy with experimental protocols to induce indirect-to-direct band gap transitions and coherently oscillating pure spin-currents in three-dimensional antiferromagnets (AFM) using selective phononic excitations. In the Mott insulator LaTiO3, we show that a photo-induced nonequilibrium phonon mode amplitude destroys the spin and orbitally degenerate ground state, reduces the band gap by 160 meV and renormalizes the carrier masses. The time scale of this process is a few hundreds of femtoseconds. Then in the hole-doped correlated metallic titanate, we show how pure spin-currents can be achieved to yield spin-polarizations exceeding those observed in classic semiconductors. Last, we demonstrate the generality of the approach by applying it to the non-orbitally degenerate AFM CaMnO3. These results advance our understanding of electron-lattice interactions in structures out-of-equilibrium and establish a rational framework for designing dynamic phases that may be exploited in ultrafast optoelectronic and optospintronic devices.

Ultrafast Band Engineering and Transient Spin Currents in Antiferromagnetic Oxides.

PubMed

Gu, Mingqiang; Rondinelli, James M

2016-04-29

We report a dynamic structure and band engineering strategy with experimental protocols to induce indirect-to-direct band gap transitions and coherently oscillating pure spin-currents in three-dimensional antiferromagnets (AFM) using selective phononic excitations. In the Mott insulator LaTiO3, we show that a photo-induced nonequilibrium phonon mode amplitude destroys the spin and orbitally degenerate ground state, reduces the band gap by 160 meV and renormalizes the carrier masses. The time scale of this process is a few hundreds of femtoseconds. Then in the hole-doped correlated metallic titanate, we show how pure spin-currents can be achieved to yield spin-polarizations exceeding those observed in classic semiconductors. Last, we demonstrate the generality of the approach by applying it to the non-orbitally degenerate AFM CaMnO3. These results advance our understanding of electron-lattice interactions in structures out-of-equilibrium and establish a rational framework for designing dynamic phases that may be exploited in ultrafast optoelectronic and optospintronic devices.

The teaching-learning approach and critical thinking development: a qualitative exploration of Taiwanese nursing students.

PubMed

Lin, Chun-Chih; Han, Chin-Yen; Pan, I-Ju; Chen, Li-Chin

2015-01-01

Health care professionals are challenged by the complexities of the health care environment. This study uses a qualitative approach to explore how teaching strategy affects the development of critical thinking (CT) among Taiwanese baccalaureate-level nursing students. Data collected from 109 students' reflection reports were analyzed using content analysis. Three categories generated by the analysis were the teaching-learning strategy, enhancing CT, and transiting into a different learning style. The teaching-learning strategy consisted of concept mapping, question and answer, and real-life case studies. CT was enhanced alternately by self-directed learning, the realization of the gap between known and unknown, and connecting the gap between theoretical nursing knowledge and clinical practice. The study results emphasize participants' perceptions of becoming a critical thinker, turning into an active learner, and eventually achieving self-confidence. These learning effects invest the wisdom of teaching-learning with a far-reaching significance. Copyright © 2015 Elsevier Inc. All rights reserved.

Towards Integrating Primary Care with Cancer Care: A Regional Study of Current Gaps and Opportunities in Canada

PubMed Central

Sussman, Jonathan; Bainbridge, Daryl; Evans, William K.

2017-01-01

Background and Objectives: Better integration between cancer care systems and primary care physicians (PCPs) is a goal of most healthcare systems, but little direction exists on how this can be achieved. This study systematically examined the extent of integration between PCPs and a regional cancer program (RCP) to identify opportunities for improvement. Method: Cross-sectional survey of all practising PCPs in the region of interest using a study-specific instrument based on a three-tier conceptualization of integration. Results: Among the 473 PCPs who responded (63% response rate), perceived role clarity and the desire for greater involvement in patient care varied across the care trajectory. Specific gaps were identified in PCPs' understanding of the referral process and patient follow-up after treatment. Conclusion: Our novel survey of PCPs explicated the strategies that could improve their integration in cancer care, including mechanisms to support PCPs in the initial diagnosis of their patients and standardized post-treatment transition plans outlining care roles and responsibilities. PMID:28277204

Ultrafast band engineering and transient spin currents in antiferromagnetic oxides

DOE PAGES

Gu, Mingqiang; Rondinelli, James M.

2016-04-29

Here, we report a dynamic structure and band engineering strategy with experimental protocols to induce indirect-to-direct band gap transitions and coherently oscillating pure spin-currents in three-dimensional antiferromagnets (AFM) using selective phononic excitations. In the Mott insulator LaTiO 3, we show that a photo-induced nonequilibrium phonon mode amplitude destroys the spin and orbitally degenerate ground state, reduces the band gap by 160 meV and renormalizes the carrier masses. The time scale of this process is a few hundreds of femtoseconds. Then in the hole-doped correlated metallic titanate, we show how pure spin-currents can be achieved to yield spin-polarizations exceeding those observedmore » in classic semiconductors. Last, we demonstrate the generality of the approach by applying it to the non-orbitally degenerate AFM CaMnO 3. These results advance our understanding of electron-lattice interactions in structures out-of-equilibrium and establish a rational framework for designing dynamic phases that may be exploited in ultrafast optoelectronic and optospintronic devices.« less

The Calculation Study of Electronic Properties of Doped RE (Eu, Er and Tm)-GaN using Density Functional Theory

NASA Astrophysics Data System (ADS)

Zaharo, Aflah; Purqon, Acep

2017-07-01

The calculation of the structure and electronic properties of Rare Earth (RE) at the wurtzite Gallium Nitride (GaN) based on DFT has completed. GGA approximation used for exchange correlation and Ultra soft pseudo potential too. The stability structure of GaN is seen that difference lattice parameter 11% lower than another calculation and experiment result. It is shown the stability structure GaN have direct band gap energy on Gamma point hexagonal lattice Brillouin zone. The width Eg is 2.6 eV. When one atom Ga is substituted with one atom RE, the bond length is change 12 % longest. An in good agreement with theoretical doping RE concentration increases, the edge of energy level shifted towards to make the band gap narrow which is allow the optical transitions and help to improve the optical performance of GaN. The RE doped GaN is potentially applicable for various color of LED with lower energy consumption and potentially energy saving application

Interacting quasi-band model for electronic states in compound semiconductor alloys: Zincblende structure

NASA Astrophysics Data System (ADS)

Shinozuka, Yuzo; Oda, Masato

2015-09-01

The interacting quasi-band model proposed for electronic states in simple alloys is extended for compound semiconductor alloys with general lattice structures containing several atoms per unit cell. Using a tight-binding model, a variational electronic wave function for quasi-Bloch states yields a non-Hermitian Hamiltonian matrix characterized by matrix elements of constituent crystals and concentration of constituents. Solving secular equations for each k-state yields the alloy’s energy spectrum for any type of randomness and arbitrary concentration. The theory is used to address III-V (II-VI) alloys with a zincblende lattice with crystal band structures well represented by the sp3s* model. Using the resulting 15 × 15 matrix, the concentration dependence of valence and conduction bands is calculated in a unified scheme for typical alloys: Al1-xGaxAs, GaAs1-xPx, and GaSb1-xPx. Results agree well with experiments and are discussed with respect to the concentration dependence, direct-indirect gap transition, and band-gap-bowing origin.

A study on dependence of the structural, optical and electrical properties of cadmium lead sulphide thin films on Cd/Pb ratio

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

Nair, Sinitha B., E-mail: sinithanair@gmail.com, E-mail: anithakklm@gmail.com; Abraham, Anitha, E-mail: sinithanair@gmail.com, E-mail: anithakklm@gmail.com; Philip, Rachel Reena, E-mail: reenatara@rediffmail.com

2014-10-15

Cadmium Lead Sulphide thin films with systematic variation in Cd/Pb ratio are prepared at 333K by CBD, adjusting the reagent-molarity, deposition time and pH. XRD exhibits crystalline-amorphous transition as Cd% exceeds Pb%. AFM shows agglomeration of crystallites of size ∼50±5 nm. EDAX assess the composition whereas XPS ascertains the ternary formation, with binding energies of Pb4f{sub 7/2} and 4f{sub 5/2}, Cd3d{sub 5/2} and 3d{sub 3/2} and S2p at 137.03, 141.606, 404.667, 412.133 and 160.218 eV respectively. The optical absorption spectra reveal the variance in the direct allowed band gaps, from 1.57eV to 2.42 eV as Cd/Pb ratio increases from 0.2more » to 2.7, suggesting possibility of band gap engineering in the n-type films.« less

Ultrafast Band Engineering and Transient Spin Currents in Antiferromagnetic Oxides

PubMed Central

Gu, Mingqiang; Rondinelli, James M.

2016-01-01

We report a dynamic structure and band engineering strategy with experimental protocols to induce indirect-to-direct band gap transitions and coherently oscillating pure spin-currents in three-dimensional antiferromagnets (AFM) using selective phononic excitations. In the Mott insulator LaTiO3, we show that a photo-induced nonequilibrium phonon mode amplitude destroys the spin and orbitally degenerate ground state, reduces the band gap by 160 meV and renormalizes the carrier masses. The time scale of this process is a few hundreds of femtoseconds. Then in the hole-doped correlated metallic titanate, we show how pure spin-currents can be achieved to yield spin-polarizations exceeding those observed in classic semiconductors. Last, we demonstrate the generality of the approach by applying it to the non-orbitally degenerate AFM CaMnO3. These results advance our understanding of electron-lattice interactions in structures out-of-equilibrium and establish a rational framework for designing dynamic phases that may be exploited in ultrafast optoelectronic and optospintronic devices. PMID:27126354

Universal entanglement spectra of gapped one-dimensional field theories

NASA Astrophysics Data System (ADS)

Cho, Gil Young; Ludwig, Andreas W. W.; Ryu, Shinsei

2017-03-01

We discuss the entanglement spectrum of the ground state of a (1+1)-dimensional system in a gapped phase near a quantum phase transition. In particular, in proximity to a quantum phase transition described by a conformal field theory (CFT), the system is represented by a gapped Lorentz invariant field theory in the "scaling limit" (correlation length ξ much larger than microscopic "lattice" scale "a "), and can be thought of as a CFT perturbed by a relevant perturbation. We show that for such (1+1) gapped Lorentz invariant field theories in infinite space, the low-lying entanglement spectrum obtained by tracing out, say, left half-infinite space, is precisely equal to the physical spectrum of the unperturbed gapless, i.e., conformal field theory defined on a finite interval of length Lξ=ln(ξ /a ) with certain boundary conditions. In particular, the low-lying entanglement spectrum of the gapped theory is the finite-size spectrum of a boundary conformal field theory, and is always discrete and universal. Each relevant perturbation, and thus each gapped phase in proximity to the quantum phase transition, maps into a particular boundary condition. A similar property has been known to hold for Baxter's corner transfer matrices in a very special class of fine-tuned, namely, integrable off-critical lattice models, for the entire entanglement spectrum and independent of the scaling limit. In contrast, our result applies to completely general gapped Lorentz invariant theories in the scaling limit, without the requirement of integrability, for the low-lying entanglement spectrum. While the entanglement spectrum of the ground state of a gapped theory on a finite interval of length 2 R with suitable boundary conditions, bipartitioned into two equal pieces, turns out to exhibit a crossover between the finite-size spectra of the same CFT with in general different boundary conditions as the system size R crosses the correlation length from the "critical regime'' R ≪ξ to the "gapped regime'' R ≫ξ , the physical spectrum on a finite interval of length R with the same boundary conditions, on the other hand, is known to undergo a dramatic reorganization during the same crossover from being discrete to being continuous.

Franck Condon shift assessment in 2D MoS₂.

PubMed

Gupta, Sunny; Shirodkar, Sharmila N; Kaplan, Daniel; Swaminathan, Venkataraman; Yakobson, Boris I

2018-01-19

Optical spectroscopy (OS) techniques are often coupled with first-principles density functional theoretical (DFT) calculations for determining the precise influence of defects on the electronic and structural properties of two dimensional (2D) TMDs. Such calculations are carried out presuming there is little or no effect of vibrational transitions on the observed electronic spectrum. However, if the effect of change in vibrational energy [Franck Condon (FC) shift] associated with such a transition is large, it could possibly lead to a different origin for the observed peak. One such instance is the attribution of the 0.75 eV cathodoluminescence peak by Fabbri et. al. [Nat. Commun. 7, 13044 (2016)]. to an optical transition from an S vacancy level in the band gap, under the assumption that the FC shift is negligible. Here, by first principles constrained DFT calculations using hybrid HSE06 functional we show that this combined prediction of OS and DFT calculations is valid for 2D MoS2 since the FC shift associated with electronic transitions from a sulfur vacancy is, indeed, small ~28 meV. Based on our calculations we conclude that it is reasonable to make a direct connection between DFT calculations and optical spectroscopy techniques in this material, hence, establishing a one to one relation between defect related emission bands and electronic transitions from the defect levels. © 2018 IOP Publishing Ltd.

A tunnel and a traffic jam: How transition disks maintain a detectable warm dust component despite the presence of a large planet-carved gap

NASA Astrophysics Data System (ADS)

Pinilla, P.; Klarmann, L.; Birnstiel, T.; Benisty, M.; Dominik, C.; Dullemond, C. P.

2016-01-01

Context. Transition disks are circumstellar disks that show evidence of a dust cavity, which may be related to dynamical clearing by embedded planet(s). Most of these objects show signs of significant accretion, indicating that the inner disks are not truly empty, but that gas is still streaming through to the star. A subset of transition disks, sometimes called pre-transition disks, also shows a strong near-infrared excess, interpreted as an optically thick dusty belt located close to the dust sublimation radius within the first astronomical unit. Aims: We study the conditions for the survival and maintenance of such an inner disk in the case where a massive planet opens a gap in the disk. In this scenario, the planet filters out large dust grains that are trapped at the outer edge of the gap, while the inner regions of the disk may or may not be replenished with small grains. Methods: We combined hydrodynamical simulations of planet-disk interactions with dust evolution models that include coagulation and fragmentation of dust grains over a large range of radii and derived observational properties using radiative transfer calculations. We studied the role of the snow line in the survival of the inner disk of transition disks. Results: Inside the snow line, the lack of ice mantles in dust particles decreases the sticking efficiency between grains. As a consequence, particles fragment at lower collision velocities than in regions beyond the snow line. This effect allows small particles to be maintained for up to a few Myr within the first astronomical unit. These particles are closely coupled to the gas and do not drift significantly with respect to the gas. For lower mass planets (1 MJup), the pre-transition appearance can be maintained even longer because dust still trickles through the gap created by the planet, moves invisibly and quickly in the form of relatively large grains through the gap, and becomes visible again as it fragments and gets slowed down inside of the snow line. Conclusions: The global study of dust evolution of a disk with an embedded planet, including the changes of the dust aerodynamics near the snow line, can explain the concentration of millimetre-sized particles in the outer disk and the survival of the dust in the inner disk if a large dust trap is present in the outer disk. This behaviour solves the conundrum of the combination of both near-infrared excess and ring-like millimetre emission observed in several transition disks.

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

Espaillat, C.; D'Alessio, P.; Hernandez, J.

In the past few years, several disks with inner holes that are relatively empty of small dust grains have been detected and are known as transitional disks. Recently, Spitzer has identified a new class of 'pre-transitional disks' with gaps based on near-infrared photometry and mid-infrared spectra; these objects have an optically thick inner disk separated from an optically thick outer disk by an optically thin disk gap. A near-infrared spectrum provided the first confirmation of a gap in the pre-transitional disk of LkCa 15 by verifying that the near-infrared excess emission in this object was due to an optically thickmore » inner disk. Here, we investigate the difference between the nature of the inner regions of transitional and pre-transitional disks using the same veiling-based technique to extract the near-infrared excess emission above the stellar photosphere. However, in this work we use detailed disk models to fit the excess continua as opposed to the simple blackbody fits previously used. We show that the near-infrared excess emission of the previously identified pre-transitional disks of LkCa 15 and UX Tau A in the Taurus cloud as well as the newly identified pre-transitional disk of ROX 44 in Ophiuchus can be fit with an inner disk wall located at the dust destruction radius. We also present detailed modeling of the broadband spectral energy distributions of these objects, taking into account the effect of shadowing by the inner disk on the outer disk, but considering the finite size of the star, unlike other recent treatments. The near-infrared excess continua of these three pre-transitional disks, which can be explained by optically thick inner disks, are significantly different from that of the transitional disks of GM Aur, whose near-infrared excess continuum can be reproduced by emission from sub-micron-sized optically thin dust, and DM Tau, whose near-infrared spectrum is consistent with a disk hole that is relatively free of small dust. The structure of pre-transitional disks may be a sign of young planets forming in these disks and future studies of pre-transitional disks will provide constraints to aid in theoretical modeling of planet formation.« less

Bi-directional gap junction-mediated soma-germline communication is essential for spermatogenesis.

PubMed

Smendziuk, Christopher M; Messenberg, Anat; Vogl, A Wayne; Tanentzapf, Guy

2015-08-01

Soma-germline interactions play conserved essential roles in regulating cell proliferation, differentiation, patterning and homeostasis in the gonad. In the Drosophila testis, secreted signalling molecules of the JAK-STAT, Hedgehog, BMP and EGF pathways are used to mediate soma-germline communication. Here, we demonstrate that gap junctions may also mediate direct, bi-directional signalling between the soma and germ line. When gap junctions between the soma and germ line are disrupted, germline differentiation is blocked and germline stem cells are not maintained. In the soma, gap junctions are required to regulate proliferation and differentiation. Localization and RNAi-mediated knockdown studies reveal that gap junctions in the fly testis are heterotypic channels containing Zpg (Inx4) and Inx2 on the germ line and the soma side, respectively. Overall, our results show that bi-directional gap junction-mediated signalling is essential to coordinate the soma and germ line to ensure proper spermatogenesis in Drosophila. Moreover, we show that stem cell maintenance and differentiation in the testis are directed by gap junction-derived cues. © 2015. Published by The Company of Biologists Ltd.

The smooth transition from field emission to a self-sustained plasma in microscale electrode gaps at atmospheric pressure

NASA Astrophysics Data System (ADS)

Bilici, Mihai A.; Haase, John R.; Boyle, Calvin R.; Go, David B.; Sankaran, R. Mohan

2016-06-01

We report on the existence of a smooth transition from field emission to a self-sustained plasma in microscale electrode geometries at atmospheric pressure. This behavior, which is not found at macroscopic scales or low pressures, arises from the unique combination of large electric fields that are created in microscale dimensions to produce field-emitted electrons and the high pressures that lead to collisional ionization of the gas. Using a tip-to-plane electrode geometry, currents less than 10 μA are measured at onset voltages of ˜200 V for gaps less than 5 μm, and analysis of the current-voltage (I-V) relationship is found to follow Fowler-Nordheim behavior, confirming field emission. As the applied voltage is increased, gas breakdown occurs smoothly, initially resulting in the formation of a weak, partial-like glow and then a self-sustained glow discharge. Remarkably, this transition is essentially reversible, as no significant hysteresis is observed during forward and reverse voltage sweeps. In contrast, at larger electrode gaps, no field emission current is measured and gas breakdown occurs abruptly at higher voltages of ˜400 V, absent of any smooth transition from the pre-breakdown condition and is characterized only by glow discharge formation.

Navigating the Transition to Community College: Understanding the Perceptions and Strategies Related to Latina Experiences

ERIC Educational Resources Information Center

Martinez-Vogt, Emily

2014-01-01

The transition of Latina community college students warrants further interest from the research community and this study aims to fill a gap in the research by examining the transition experiences from the voices of Latina community college students. The purpose of this qualitative study was to understand Latina community college students'…

Thermally Strained Band Gap Engineering of Transition-Metal Dichalcogenide Bilayers with Enhanced Light-Matter Interaction toward Excellent Photodetectors.

PubMed

Wang, Sheng-Wen; Medina, Henry; Hong, Kuo-Bin; Wu, Chun-Chia; Qu, Yindong; Manikandan, Arumugam; Su, Teng-Yu; Lee, Po-Tsung; Huang, Zhi-Quan; Wang, Zhiming; Chuang, Feng-Chuan; Kuo, Hao-Chung; Chueh, Yu-Lun

2017-09-26

Integration of strain engineering of two-dimensional (2D) materials in order to enhance device performance is still a challenge. Here, we successfully demonstrated the thermally strained band gap engineering of transition-metal dichalcogenide bilayers by different thermal expansion coefficients between 2D materials and patterned sapphire structures, where MoS 2 bilayers were chosen as the demonstrated materials. In particular, a blue shift in the band gap of the MoS 2 bilayers can be tunable, displaying an extraordinary capability to drive electrons toward the electrode under the smaller driven bias, and the results were confirmed by simulation. A model to explain the thermal strain in the MoS 2 bilayers during the synthesis was proposed, which enables us to precisely predict the band gap-shifted behaviors on patterned sapphire structures with different angles. Furthermore, photodetectors with enhancement of 286% and 897% based on the strained MoS 2 on cone- and pyramid-patterned sapphire substrates were demonstrated, respectively.

Pronounced Photovoltaic Response from Multilayered Transition-Metal Dichalcogenides PN-Junctions.

PubMed

Memaran, Shahriar; Pradhan, Nihar R; Lu, Zhengguang; Rhodes, Daniel; Ludwig, Jonathan; Zhou, Qiong; Ogunsolu, Omotola; Ajayan, Pulickel M; Smirnov, Dmitry; Fernández-Domínguez, Antonio I; García-Vidal, Francisco J; Balicas, Luis

2015-11-11

Transition metal dichalcogenides (TMDs) are layered semiconductors with indirect band gaps comparable to Si. These compounds can be grown in large area, while their gap(s) can be tuned by changing their chemical composition or by applying a gate voltage. The experimental evidence collected so far points toward a strong interaction with light, which contrasts with the small photovoltaic efficiencies η ≤ 1% extracted from bulk crystals or exfoliated monolayers. Here, we evaluate the potential of these compounds by studying the photovoltaic response of electrostatically generated PN-junctions composed of approximately 10 atomic layers of MoSe2 stacked onto the dielectric h-BN. In addition to ideal diode-like response, we find that these junctions can yield, under AM-1.5 illumination, photovoltaic efficiencies η exceeding 14%, with fill factors of ~70%. Given the available strategies for increasing η such as gap tuning, improving the quality of the electrical contacts, or the fabrication of tandem cells, our study suggests a remarkable potential for photovoltaic applications based on TMDs.

Zero-gap semiconductor to excitonic insulator transition in Ta2NiSe5

PubMed Central

Lu, Y. F.; Kono, H.; Larkin, T. I.; Rost, A. W.; Takayama, T.; Boris, A. V.; Keimer, B.; Takagi, H.

2017-01-01

The excitonic insulator is a long conjectured correlated electron phase of narrow-gap semiconductors and semimetals, driven by weakly screened electron–hole interactions. Having been proposed more than 50 years ago, conclusive experimental evidence for its existence remains elusive. Ta2NiSe5 is a narrow-gap semiconductor with a small one-electron bandgap EG of <50 meV. Below TC=326 K, a putative excitonic insulator is stabilized. Here we report an optical excitation gap Eop ∼0.16 eV below TC comparable to the estimated exciton binding energy EB. Specific heat measurements show the entropy associated with the transition being consistent with a primarily electronic origin. To further explore this physics, we map the TC–EG phase diagram tuning EG via chemical and physical pressure. The dome-like behaviour around EG∼0 combined with our transport, thermodynamic and optical results are fully consistent with an excitonic insulator phase in Ta2NiSe5. PMID:28205553

Radiation-based near-field thermal rectification with phase transition materials

NASA Astrophysics Data System (ADS)

Yang, Yue; Basu, Soumyadipta; Wang, Liping

2013-10-01

The capability of manipulating heat flow has promising applications in thermal management and thermal circuits. In this Letter, we report strong thermal rectification effect based on the near-field thermal radiation between silicon dioxide (SiO2) and a phase transition material, vanadium dioxide (VO2), separated by nanometer vacuum gaps under the framework of fluctuational electrodynamics. Strong coupling of surface phonon polaritons between SiO2 and insulating VO2 leads to enhanced near-field radiative transfer, which on the other hand is suppressed when VO2 becomes metallic, resulting in thermal rectification. The rectification factor is close to 1 when vacuum gap is at 1 μm and it increases to almost 2 at sub-20-nm gaps when emitter and receiver temperatures are set to 400 and 300 K, respectively. Replacing bulk SiO2 with a thin film of several nanometers, rectification factor of 3 can be achieved when the vacuum gap is around 100 nm.

Theoretical prediction of sandwiched two-dimensional phosphide binary compound sheets with tunable bandgaps and anisotropic physical properties

NASA Astrophysics Data System (ADS)

Zhang, C. Y.; Yu, M.

2018-03-01

Atomic layers of GaP and InP binary compounds with unique anisotropic structural, electronic and mechanical properties have been predicted from first-principle molecular dynamics simulations. These new members of the phosphide binary compound family stabilize to a sandwiched two-dimensional (2D) crystalline structure with orthorhombic lattice symmetry and high buckling of 2.14 Å-2.46 Å. Their vibration modes are similar to those of phosphorene with six Raman active modes ranging from ˜80 cm-1 to 400 cm-1. The speeds of sound in their phonon dispersions reflect anisotropy in their elastic constants, which was further confirmed by their strong directional dependence of Young’s moduli and effective nonlinear elastic moduli. They show wide bandgap semiconductor behavior with fundamental bandgaps of 2.89 eV for GaP and 2.59 eV for InP, respectively, even wider than their bulk counterparts. Such bandgaps were found to be tunable under strain. In particular, a direct-indirect bandgap transition was found under certain strains along zigzag or biaxial orientations, reflecting their promising applications in strain-induced bandgap engineering in nanoelectronics and photovoltaics. Feasible pathways to realize these novel 2D phosphide compounds are also proposed.

Revealing the optoelectronic and thermoelectric properties of the Zintl quaternary arsenides ACdGeAs{sub 2} (A = K, Rb)

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

Azam, Sikander; Khan, Saleem Ayaz; Goumri-Said, Souraya, E-mail: Souraya.Goumri-Said@chemistry.gatech.edu

Highlights: • Zintl tetragonal phase ACdGeAs{sub 2} (A = K, Rb) are chalcopyrite and semiconductors. • Their direct band gap is suitable for PV, optolectronic and thermoelectric applications. • Combination of DFT and Boltzmann transport theory is employed. • The present arsenides are found to be covalent materials. - Abstract: Chalcopyrite semiconductors have attracted much attention due to their potential implications in photovoltaic and thermoelectric applications. First principle calculations were performed to investigate the electronic, optical and thermoelectric properties of the Zintl tetragonal phase ACdGeAs{sub 2} (A = K, Rb) using the full potential linear augmented plane wave method andmore » the Engle–Vosko GGA (EV–GGA) approximation. The present compounds are found semiconductors with direct band gap and covalent bonding character. The optical transitions are investigated via the dielectric function (real and imaginary parts) along with other related optical constants including refractive index, reflectivity and energy-loss spectrum. Combining results from DFT and Boltzmann transport theory, we reported the thermoelectric properties such as the Seebeck’s coefficient, electrical and thermal conductivity, figure of merit and power factor as function of temperatures. The present chalcopyrite Zintl quaternary arsenides deserve to be explored for their potential applications as thermoelectric materials and for photovoltaic devices.« less

Inorganic fullerene-type WS2 nanoparticles: processing, characterization and its photocatalytic performance on malachite green

NASA Astrophysics Data System (ADS)

Hazarika, Saurabh Jyoti; Mohanta, Dambarudhar

2017-05-01

In this work, we have employed a hydrothermal route for the synthesis of fullerene-type tungsten disulfide (WS2) nanoparticles. X-ray diffraction analysis signifies a hexagonal crystal structure of WS2 with the crystallites experiencing preferred orientations along (002) and (103) planes. The agglomerated nanoparticles and inorganic fullerene (IF)-type structures are apparently observable from the high-resolution electron micrographs. Raman spectrum shows prominent E1_{{2{{g}}}} and A 1g modes emanating from the IF nano-WS2 system. The Tauc's plot obtained from the optical absorption data predicts a direct band gap of 1.91 eV for the nano-WS2 system; whereas, photoluminescence analysis reveals a broad emission peak located at 638 nm and is ascribed to the associated transition from the indirect to direct nature of the band gap. The photocatalytic decomposition of malachite green (MG) solution (30 mg/l) by WS2 (100 mg/l) under UV and visible light irradiation has been evaluated. The latter condition exhibited a better photocatalytic response with the MG degradation as high as 71.2%, revealed for 120 min. Photocatalytic and optoelectronic features of IF-type nano-WS2 would bring new insights not only to resolve issues related to environmental hazards, but also in functional devices of technological relevance.

Floquet band structure of a semi-Dirac system

NASA Astrophysics Data System (ADS)

Chen, Qi; Du, Liang; Fiete, Gregory A.

2018-01-01

In this work we use Floquet-Bloch theory to study the influence of circularly and linearly polarized light on two-dimensional band structures with semi-Dirac band touching points, taking the anisotropic nearest neighbor hopping model on the honeycomb lattice as an example. We find that circularly polarized light opens a gap and induces a band inversion to create a finite Chern number in the two-band model. By contrast, linearly polarized light can either open up a gap (polarized in the quadratically dispersing direction) or split the semi-Dirac band touching point into two Dirac points (polarized in the linearly dispersing direction) by an amount that depends on the amplitude of the light. Motivated by recent pump-probe experiments, we investigated the nonequilibrium spectral properties and momentum-dependent spin texture of our model in the Floquet state following a quench in the absence of phonons, and in the presence of phonon dissipation that leads to a steady state independently of the pump protocol. Finally, we make connections to optical measurements by computing the frequency dependence of the longitudinal and transverse optical conductivity for this two-band model. We analyze the various contributions from interband transitions and different Floquet modes. Our results suggest strategies for optically controlling band structures and experimentally measuring topological Floquet systems.

Strain tuning of electronic structure in Bi 4Ti 3O 12-LaCoO 3 epitaxial thin films

DOE PAGES

Choi, Woo Seok; Lee, Ho Nyung

2015-05-08

In this study, we investigated the crystal and electronic structures of ferroelectric Bi 4Ti 3O 12 single-crystalline thin films site-specifically substituted with LaCoO 3 (LCO). The epitaxial films were grown by pulsed laser epitaxy on NdGaO 3 and SrTiO 3 substrates to vary the degree of strain. With increasing the LCO substitution, we observed a systematic increase in the c-axis lattice constant of the Aurivillius phase related with the modification of pseudo-orthorhombic unit cells. These compositional and structural changes resulted in a systematic decrease in the band gap, i.e., the optical transition energy between the oxygen 2p and transition-metal 3dmore » states, based on a spectroscopic ellipsometry study. In particular, the Co 3d state seems to largely overlap with the Ti t 2g state, decreasing the band gap. Interestingly, the applied tensile strain facilitates the band-gap narrowing, demonstrating that epitaxial strain is a useful tool to tune the electronic structure of ferroelectric transition-metal oxides.« less

Mottness Collapse in 1 T -TaS2 -xSex Transition-Metal Dichalcogenide: An Interplay between Localized and Itinerant Orbitals

NASA Astrophysics Data System (ADS)

Qiao, Shuang; Li, Xintong; Wang, Naizhou; Ruan, Wei; Ye, Cun; Cai, Peng; Hao, Zhenqi; Yao, Hong; Chen, Xianhui; Wu, Jian; Wang, Yayu; Liu, Zheng

2017-10-01

The layered transition-metal dichalcogenide 1 T -TaS2 has been recently found to undergo a Mott-insulator-to-superconductor transition induced by high pressure, charge doping, or isovalent substitution. By combining scanning tunneling microscopy measurements and first-principles calculations, we investigate the atomic scale electronic structure of the 1 T -TaS2 Mott insulator and its evolution to the metallic state upon isovalent substitution of S with Se. We identify two distinct types of orbital textures—one localized and the other extended—and demonstrate that the interplay between them is the key factor that determines the electronic structure. In particular, we show that the continuous evolution of the charge gap visualized by scanning tunneling microscopy is due to the immersion of the localized-orbital-induced Hubbard bands into the extended-orbital-spanned Fermi sea, featuring a unique evolution from a Mott gap to a charge-transfer gap. This new mechanism of Mottness collapse revealed here suggests an interesting route for creating novel electronic states and designing future electronic devices.

Strain-induced topological quantum phase transition in phosphorene oxide

NASA Astrophysics Data System (ADS)

Kang, Seoung-Hun; Park, Jejune; Woo, Sungjong; Kwon, Young-Kyun

Using ab initio density functional theory, we investigate the structural stability and electronic properties of phosphorene oxides (POx) with different oxygen compositions x. A variety of configurations are modeled and optimized geometrically to search for the equilibrium structure for each x value. Our electronic structure calculations on the equilibrium configuration obtained for each x reveal that the band gap tends to increase with the oxygen composition of x < 0.5, and then to decrease with x > 0.5. We further explore the strain effect on the electronic structure of the fully oxidized phosphorene, PO, with x = 1. At a particular strain without spin-orbit coupling (SOC) is observed a band gap closure near the Γ point in the k space. We further find the strain in tandem with SOC induces an interesting band inversion with a reopened very small band gap (5 meV), and thus gives rise to a topological quantum phase transition from a normal insulator to a topological insulator. Such a topological phase transition is confirmed by the wave function analysis and the band topology identified by the Z2 invariant calculation.

Hybridization gap and dual nature of the heavy-fermion compound UPd 2Al 3 via quasiparticle scattering spectroscopy

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

Jaggi, N. K.; Mehio, O.; Dwyer, M.

We present results from point-contact spectroscopy of the antiferromagnetic heavy-fermion superconductor UPd 2Al 3 : Conductance spectra are taken from single crystals with two major surface orientations as a function of temperature and magnetic field and analyzed using a theory of cotunneling into an Anderson lattice. Spectroscopic signatures are clearly identified, including the distinct asymmetric double-peak structure arising from the opening of a hybridization gap when a coherent heavy-Fermi liquid is formed. Both the hybridization gap, found to be 7.2 ± 0.3 meV at 4 K, and the conductance enhancement above a flat background decrease upon increasing temperature. While themore » hybridization gap is extrapolated to remain finite up to ~28 K, close to the temperature around which the magnetic susceptibility displays a broad peak, the conductance enhancement vanishes at ~18 K, slightly above the antiferromagnetic transition temperature (T N ≈ 14 K) . This rapid decrease of the conductance enhancement is understood as a consequence of the junction drifting away from the ballistic regime due to increased scattering off magnons associated with the localized U 5 f electrons. This shows that while the hybridization gap opening is not directly associated with the antiferromagnetic ordering, its visibility in the conductance is greatly affected by the temperature-dependent magnetic excitations. Our findings are not only consistent with the 5 f dual-nature picture in the literature but also shed new light on the interplay between the itinerant and localized electrons in UPd 2Al 3 .« less

Hybridization gap and dual nature of the heavy-fermion compound UPd 2Al 3 via quasiparticle scattering spectroscopy

DOE PAGES

Jaggi, N. K.; Mehio, O.; Dwyer, M.; ...

2017-04-17

We present results from point-contact spectroscopy of the antiferromagnetic heavy-fermion superconductor UPd 2Al 3 : Conductance spectra are taken from single crystals with two major surface orientations as a function of temperature and magnetic field and analyzed using a theory of cotunneling into an Anderson lattice. Spectroscopic signatures are clearly identified, including the distinct asymmetric double-peak structure arising from the opening of a hybridization gap when a coherent heavy-Fermi liquid is formed. Both the hybridization gap, found to be 7.2 ± 0.3 meV at 4 K, and the conductance enhancement above a flat background decrease upon increasing temperature. While themore » hybridization gap is extrapolated to remain finite up to ~28 K, close to the temperature around which the magnetic susceptibility displays a broad peak, the conductance enhancement vanishes at ~18 K, slightly above the antiferromagnetic transition temperature (T N ≈ 14 K) . This rapid decrease of the conductance enhancement is understood as a consequence of the junction drifting away from the ballistic regime due to increased scattering off magnons associated with the localized U 5 f electrons. This shows that while the hybridization gap opening is not directly associated with the antiferromagnetic ordering, its visibility in the conductance is greatly affected by the temperature-dependent magnetic excitations. Our findings are not only consistent with the 5 f dual-nature picture in the literature but also shed new light on the interplay between the itinerant and localized electrons in UPd 2Al 3 .« less

All-optical band engineering of gapped Dirac materials

NASA Astrophysics Data System (ADS)

Kibis, O. V.; Dini, K.; Iorsh, I. V.; Shelykh, I. A.

2017-03-01

We demonstrate theoretically that the interaction of electrons in gapped Dirac materials (gapped graphene and transition-metal dichalchogenide monolayers) with a strong off-resonant electromagnetic field (dressing field) substantially renormalizes the band gaps and the spin-orbit splitting. Moreover, the renormalized electronic parameters drastically depend on the field polarization. Namely, a linearly polarized dressing field always decreases the band gap (and, particularly, can turn the gap into zero), whereas a circularly polarized field breaks the equivalence of valleys in different points of the Brillouin zone and can both increase and decrease corresponding band gaps. As a consequence, the dressing field can serve as an effective tool to control spin and valley properties of the materials and be potentially exploited in optoelectronic applications.

Magnetic brightening and control of dark excitons in monolayer WSe2.

PubMed

Zhang, Xiao-Xiao; Cao, Ting; Lu, Zhengguang; Lin, Yu-Chuan; Zhang, Fan; Wang, Ying; Li, Zhiqiang; Hone, James C; Robinson, Joshua A; Smirnov, Dmitry; Louie, Steven G; Heinz, Tony F

2017-09-01

Monolayer transition metal dichalcogenide crystals, as direct-gap materials with strong light-matter interactions, have attracted much recent attention. Because of their spin-polarized valence bands and a predicted spin splitting at the conduction band edges, the lowest-lying excitons in WX 2 (X = S, Se) are expected to be spin-forbidden and optically dark. To date, however, there has been no direct experimental probe of these dark excitons. Here, we show how an in-plane magnetic field can brighten the dark excitons in monolayer WSe 2 and permit their properties to be observed experimentally. Precise energy levels for both the neutral and charged dark excitons are obtained and compared with ab initio calculations using the GW-BSE approach. As a result of their spin configuration, the brightened dark excitons exhibit much-increased emission and valley lifetimes. These studies directly probe the excitonic spin manifold and reveal the fine spin-splitting at the conduction band edges.

Magnetic brightening and control of dark excitons in monolayer WSe 2

DOE PAGES

Zhang, Xiao -Xiao; Cao, Ting; Lu, Zhengguang; ...

2017-06-26

Monolayer transition metal dichalcogenide crystals, as direct-gap materials with strong light–matter interactions, have attracted much recent attention. Because of their spin-polarized valence bands and a predicted spin splitting at the conduction band edges, the lowest-lying excitons in WX 2 (X = S, Se) are expected to be spin-forbidden and optically dark. To date, however, there has been no direct experimental probe of these dark excitons. Here, we show how an in-plane magnetic field can brighten the dark excitons in monolayer WSe2 and permit their properties to be observed experimentally. Precise energy levels for both the neutral and charged dark excitonsmore » are obtained and compared with ab initio calculations using the GW-BSE approach. As a result of their spin configuration, the brightened dark excitons exhibit much-increased emission and valley lifetimes. Furthermore, these studies directly probe the excitonic spin manifold and reveal the fine spin-splitting at the conduction band edges.« less

Long-Term Experiences in Cash and Counseling for Young Adults with Intellectual Disabilities: Familial Programme Representative Descriptions.

PubMed

Harry, Melissa L; MacDonald, Lynn; McLuckie, Althea; Battista, Christina; Mahoney, Ellen K; Mahoney, Kevin J

2017-07-01

Our aim was to explore previously unknown long-term outcomes of self-directed personal care services for young adults with intellectual disabilities and limitations in activities of daily living. The present authors utilized participatory action research and qualitative content analysis in interviewing 11 unpaid familial programme representatives of young adults with intellectual disabilities, ages 23-34, who were eligible for income-based Medicaid and enrolled five or more years in a Cash and Counseling-based programme of self-direction in the United States. Young adults are represented as receiving services and supports in a supportive and stable environment, with previously identified short-term programme benefits evident over the long-term. Young adults are also transitioning to adulthood at home with their families as primary social support and caregivers, bridging a service gap. Our results show that self-direction helps meet these young adults' personal care and community engagement needs over time. © 2016 John Wiley & Sons Ltd.

Direct band gap measurement of Cu(In,Ga)(Se,S){sub 2} thin films using high-resolution reflection electron energy loss spectroscopy

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

Heo, Sung; College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746; Lee, Hyung-Ik

2015-06-29

To investigate the band gap profile of Cu(In{sub 1−x},Ga{sub x})(Se{sub 1−y}S{sub y}){sub 2} of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respectmore » to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth.« less

Mott Transition in GdMnO3: an Ab Initio Study

NASA Astrophysics Data System (ADS)

Ferreira, W. S.; Moreira, E.; Frazão, N. F.

2018-04-01

Orthorhombic GdMnO3 is studied using density functional theory considering the pseudo-potential plane-wave method within local-spin-density approximation, LSDA. The electronic band structure and density of states, for several hydrostatic pressures, are studied. The Mott transition was observed at 60 GPa. Calculated lattice parameters are close to the experimental measurements, and some indirect band gaps (S→Γ) were obtained within the LSDA level of calculation, between the occupied O-2 p and unoccupied Gd-4 f states. The variation of the gap reduces with increasing pressure, being well fitted to a quadratic function.

Properties of Superconducting Mo, Mo2n and Trilayer Mo2n-Mo-Mo2n Thin Films

NASA Technical Reports Server (NTRS)

Barrentine, E. M.; Stevenson, T. R.; Brown, A. D.; Lowitz, A. E.; Noroozian, O.; U-Yen, K.; Eshan, N.; Hsieh, W. T.; Moseley, S. H.; Wollack, E. J.

2014-01-01

We present measurements of the properties of thin film superconducting Mo, Mo2N and Mo2N/Mo/Mo2N trilayers of interest for microwave kinetic inductance detector (MKID) applications. Using microwave resonator devices, we investigate the transition temperature, energy gaps, kinetic inductance, and internal quality factors of these materials. We present an Usadel-based interpretation of the trilayer transition temperature as a function of trilayer thicknesses, and a 2-gap interpretation to understand the change in kinetic inductance and internal resonance quality factor (Q) as a function of temperature.

Temperature-Dependent Energy Gap Shift and Thermally Activated Transition in Multilayer CdTe/ZnTe Quantum Dots.

PubMed

Man, Minh Tan; Lee, Hong Seok

2015-10-01

We investigated the influence of growth conditions on carrier dynamics in multilayer CdTe/ZnTe quantum dots (QDs) by monitoring the temperature dependence of the photoluminescence emission energy. The results were analyzed using the empirical Varshni and O'Donnell relations for temperature variation of the energy gap shift. Best fit values showed that the thermally activated transition between two different states occurs due to band low-temperature quenching with values separated by 5.0-6.5 meV. The addition of stack periods in multilayer CdTe/ZnTe QDs plays an important role in the energy gap shift, where the exciton binding energy is enhanced, and, conversely, the exciton-phonon coupling strength is suppressed with an average energy of 19.3-19.8 meV.

Density Functional Theory and Beyond for Band-Gap Screening: Performance for Transition-Metal Oxides and Dichalcogenides.

PubMed

Li, Wenqing; Walther, Christian F J; Kuc, Agnieszka; Heine, Thomas

2013-07-09

The performance of a wide variety of commonly used density functionals, as well as two screened hybrid functionals (HSE06 and TB-mBJ), on predicting electronic structures of a large class of en vogue materials, such as metal oxides, chalcogenides, and nitrides, is discussed in terms of band gaps, band structures, and projected electronic densities of states. Contrary to GGA, hybrid functionals and GGA+U, both HSE06 and TB-mBJ are able to predict band gaps with an appreciable accuracy of 25% and thus allow the screening of various classes of transition-metal-based compounds, i.e., mixed or doped materials, at modest computational cost. The calculated electronic structures are largely unaffected by the choice of basis functions and software implementation, however, might be subject to the treatment of the core electrons.

The Transition Year: A Unique Programme in Irish Education Bridging the Gap between School and the Workplace

ERIC Educational Resources Information Center

Moynihan, Joseph A.

2015-01-01

Transition Year is a unique and exciting programme situated in the middle of the six year second level education system in Ireland. Since its introduction in 1974, the programme has experienced unprecedented growth now being offered in over 80% of schools on the island. Transition Year seeks to emphasize alternative learning methodologies…

Warps and intra-cavity kinematics in transition disks

NASA Astrophysics Data System (ADS)

Casassus, S.

2017-07-01

The inferrence of radial gaps in the "transition disk" stage of protoplanetary disk evolution motivates questions on their origin, and possible link to planet formation. This talk presented recent observations of cavities in transition disks. Here we report on the aspects related to the observations of warps, and on the structure and kinematics of the residual gas inside TD cavities.

Strengthening the Transition to University by Confronting the Expectation-Reality Gap in Psychology Undergraduates

ERIC Educational Resources Information Center

Winstone, Naomi; Bretton, Hannah

2013-01-01

In negotiating the transition to Higher Education, students bring core expectations from their A-level study that are likely to be different to the lived reality of university study. Bridging the transition to university requires an in-depth understanding of the differences between the imagined and the reality; the expectations and the experience.…

Transition to Kindergarten for Children with Autism Spectrum Disorder: A Focus Group Study With Ethnically Diverse Parents, Teachers, and Early Intervention Service Providers

ERIC Educational Resources Information Center

Starr, Elizabeth M.; Martini, Tanya S.; Kuo, Ben C. H.

2016-01-01

Despite the stated importance of a successful kindergarten transition (TTK) for future school success, no research has addressed this transition for culturally/ethnically diverse families having children with autism spectrum disorders (ASD). To address this gap, six focus groups (three with ethnically diverse parents, one with kindergarten…

Influence of the ``second gap'' on the optical absorption of transparent conducting oxides

NASA Astrophysics Data System (ADS)

Ha, Viet-Anh; Waroquiers, David; Rignanese, Gian-Marco; Hautier, Geoffroy

Transparent conducting oxides (TCOs) are critical to many technologies (e.g., thin-film solar cells, flat-panel displays or organic light-emitting diodes). TCOs are heavily doped (n or p-type) oxides that satisfy many design criteria such as high transparency to visible light (i.e., a band gap > 3 eV), high concentration and mobility of carriers (leading to high conductivity), ... In such (highly doped) systems, optical transitions from the conduction band minimum to higher energy bands in n-type or from lower energy bands to the valence band maximum in p-type are possible and can degrade transparency. In fact, it has been claimed that a high energy (> 3eV) for any of these transitions made possible by doping, commonly referred as a high ``second gap'', is a necessary design criterion for high performance TCOs. Here, we study the influence of this second gap on the transparency of doped TCOs by using ab initio calculations within the random phase approximation (RPA) for several well-known p-type and n-type TCOs. Our work highlights how the second gap affects the transparency of doped TCOs, shining light on more accurate design criteria for high performance TCOs.

New insights in the electroweak phase transition in the NMSSM

NASA Astrophysics Data System (ADS)

Huang, Weicong; Kang, Zhaofeng; Shu, Jing; Wu, Peiwen; Yang, Jin Min

2015-01-01

We perform a detailed semianalytical analysis of the electroweak phase transition (EWPT) property in the Next-to-Minimal Supersymmetric standard model, which serves as a good benchmark model in which the 126 GeV Higgs mixes with a singlet. In this case, a strongly first-order electroweak phase transition (SFOEWPT) is achieved by the tree-level effects, and the phase transition strength γc is determined by the vacua energy gap at T =0 . We make an anatomy of the energy gap at both tree level and loop level and extract out a dimensionless phase transition parameter Rκ≡4 κ vs/Aκ, which can replace Aκ in the parameterization and affect the light CP-odd/even Higgs spectra. We find that SFOEWPT only occurs in Rκ˜-1 and positive Rκ≲O (10 ), which in the non-PQ limit case would prefer either a relatively light CP-odd or CP-even Higgs boson ˜(60 ,100 ) GeV , and therefore serves as a smoking gun signal and requires new search strategies at the LHC.

Half-Metallic Ferromagnetism and Stability of Transition Metal Pnictides and Chalcogenides

NASA Astrophysics Data System (ADS)

Liu, Bang-Gui

It is highly desirable to explore robust half-metallic ferromagnetic materials compatible with important semiconductors for spintronic applications. A state-of-the-art full potential augmented plane wave method within the densityfunctional theory is reliable enough for this purpose. In this chapter we review theoretical research on half-metallic ferromagnetism and structural stability of transition metal pnictides and chalcogenides. We show that some zincblende transition metal pnictides are half-metallic and the half-metallic gap can be fairly wide, which is consistent with experiment. Systematic calculations reveal that zincblende phases of CrTe, CrSe, and VTe are excellent half-metallic ferromagnets. These three materials have wide half-metallic gaps, are low in total energy with respect to the corresponding ground-state phases, and, importantly, are structurally stable. Halfmetallic ferromagnetism is also found in wurtzite transition metal pnictides and chalcogenides and in transition-metal doped semiconductors as well as deformed structures. Some of these half-metallic materials could be grown epitaxially in the form of ultrathin .lms or layers suitable for real spintronic applications.

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

Zhu Zhaohuan; Dong Ruobing; Nelson, Richard P.

By carrying out two-dimensional two-fluid global simulations, we have studied the response of dust to gap formation by a single planet in the gaseous component of a protoplanetary disk-the so-called dust filtration mechanism. We have found that a gap opened by a giant planet at 20 AU in an {alpha} = 0.01, M-dot =10{sup -8} M{sub Sun} yr{sup -1} disk can effectively stop dust particles larger than 0.1 mm drifting inward, leaving a submillimeter (submm) dust cavity/hole. However, smaller particles are difficult to filter by a gap induced by a several M{sub J} planet due to (1) dust diffusion andmore » (2) a high gas accretion velocity at the gap edge. Based on these simulations, an analytic model is derived to understand what size particles can be filtered by the planet-induced gap edge. We show that a dimensionless parameter T{sub s} /{alpha}, which is the ratio between the dimensionless dust stopping time and the disk viscosity parameter, is important for the dust filtration process. Finally, with our updated understanding of dust filtration, we have computed Monte Carlo radiative transfer models with variable dust size distributions to generate the spectral energy distributions of disks with gaps. By comparing with transitional disk observations (e.g., GM Aur), we have found that dust filtration alone has difficulties depleting small particles sufficiently to explain the near-IR deficit of moderate M-dot transitional disks, except under some extreme circumstances. The scenario of gap opening by multiple planets studied previously suffers the same difficulty. One possible solution is to invoke both dust filtration and dust growth in the inner disk. In this scenario, a planet-induced gap filters large dust particles in the disk, and the remaining small dust particles passing to the inner disk can grow efficiently without replenishment from fragmentation of large grains. Predictions for ALMA have also been made based on all these scenarios. We conclude that dust filtration with planet(s) in the disk is a promising mechanism to explain submm observations of transitional disks but it may need to be combined with other processes (e.g., dust growth) to explain the near-IR deficit of some systems.« less

Signatures of a dissipative phase transition in photon correlation measurements

NASA Astrophysics Data System (ADS)

Fink, Thomas; Schade, Anne; Höfling, Sven; Schneider, Christian; Imamoglu, Ataç

2018-04-01

Understanding and characterizing phase transitions in driven-dissipative systems constitutes a new frontier for many-body physics1-8. A generic feature of dissipative phase transitions is a vanishing gap in the Liouvillian spectrum9, which leads to long-lived deviations from the steady state as the system is driven towards the transition. Here, we show that photon correlation measurements can be used to characterize the corresponding critical slowing down of non-equilibrium dynamics. We focus on the extensively studied phenomenon of optical bistability in GaAs cavity polaritons10,11, which can be described as a first-order dissipative phase transition12-14. Increasing the excitation strength towards the bistable range results in an increasing photon-bunching signal along with a decay time that is prolonged by more than nine orders of magnitude as compared with that of single polaritons. In the limit of strong polariton interactions leading to pronounced quantum fluctuations, the mean-field bistability threshold is washed out. Nevertheless, the functional form with which the Liouvillian gap closes as the thermodynamic limit is approached provides a signature of the emerging dissipative phase transition. Our results establish photon correlation measurements as an invaluable tool for studying dynamical properties of dissipative phase transitions without requiring phase-sensitive interferometric measurements.

Young adults with intellectual disability transitioning from school to post-school: a literature review framed within the ICF.

PubMed

Foley, K-R; Dyke, P; Girdler, S; Bourke, J; Leonard, H

2012-01-01

The purpose of this review was to describe literature relating to transition for young people with an intellectual disability and identify gaps within the current knowledge base. A narrative literature review was undertaken. Searches of databases Medline, CINAHL, PsycINFO, ERIC, ISI Web of Science and ProQuest 500 International provided relevant research articles. The search terms used were intellectual disability, transition, employment, and ICF as well as other terms derived from the ICF. Manual searches of reference lists identified additional studies. Furthermore, government websites were searched for relevant reports and policies. Transition literature was explored by ICF domains; body functions and structures, activity and participation and contextual factors. Studies were identified in some but not all areas and included literature describing self-determination and participation in leisure activities for those with mild intellectual disability. However, significant gaps were found particularly for those with severe intellectual disability. The ICF is a useful tool in framing a review of transition literature for young people with intellectual disability due to the complexity and multi-faceted nature of transition. The important influence of environmental factors including family systems, post-school services and access to transport were highlighted as having considerable impacts on transition outcomes.

Topological phase transition and evolution of edge states in In-rich InGaN/GaN quantum wells under hydrostatic pressure

NASA Astrophysics Data System (ADS)

Łepkowski, S. P.; Bardyszewski, W.

2017-02-01

Combining the k · p method with the third-order elasticity theory, we perform a theoretical study of the pressure-induced topological phase transition and the pressure evolution of topologically protected edge states in InN/GaN and In-rich InGaN/GaN quantum wells. We show that for a certain range of the quantum well parameters, thanks to a negative band gap pressure coefficient, it is possible to continuously drive the system from the normal insulator state through the topological insulator into the semimetal phase. The critical pressure for the topological phase transition depends not only on the quantum well thickness but also on the width of the Hall bar, which determines the coupling between the edge states localized at the opposite edges. We also find that in narrow Hall bar structures, near the topological phase transition, a significant Rashba-type spin splitting of the lower and upper branches of the edge state dispersion curve appears. This effect originates from the lack of the mirror symmetry of the quantum well potential caused by the built-in electric field, and can be suppressed by increasing the Hall bar width. When the pressure increases, the energy dispersion of the edge states becomes more parabolic-like and the spin splitting decreases. A further increase of pressure leads to the transition to a semimetal phase, which occurs due to the closure of the indirect 2D bulk band gap. The difference between the critical pressure at which the system becomes semimetallic, and the pressure for the topological phase transition, correlates with the variation of the pressure coefficient of the band gap in the normal insulator state.

Topological phase transition and evolution of edge states in In-rich InGaN/GaN quantum wells under hydrostatic pressure.

PubMed

Łepkowski, S P; Bardyszewski, W

2017-02-08

Combining the k · p method with the third-order elasticity theory, we perform a theoretical study of the pressure-induced topological phase transition and the pressure evolution of topologically protected edge states in InN/GaN and In-rich InGaN/GaN quantum wells. We show that for a certain range of the quantum well parameters, thanks to a negative band gap pressure coefficient, it is possible to continuously drive the system from the normal insulator state through the topological insulator into the semimetal phase. The critical pressure for the topological phase transition depends not only on the quantum well thickness but also on the width of the Hall bar, which determines the coupling between the edge states localized at the opposite edges. We also find that in narrow Hall bar structures, near the topological phase transition, a significant Rashba-type spin splitting of the lower and upper branches of the edge state dispersion curve appears. This effect originates from the lack of the mirror symmetry of the quantum well potential caused by the built-in electric field, and can be suppressed by increasing the Hall bar width. When the pressure increases, the energy dispersion of the edge states becomes more parabolic-like and the spin splitting decreases. A further increase of pressure leads to the transition to a semimetal phase, which occurs due to the closure of the indirect 2D bulk band gap. The difference between the critical pressure at which the system becomes semimetallic, and the pressure for the topological phase transition, correlates with the variation of the pressure coefficient of the band gap in the normal insulator state.

Strain-induced band-gap engineering of graphene monoxide and its effect on graphene

NASA Astrophysics Data System (ADS)

Pu, H. H.; Rhim, S. H.; Hirschmugl, C. J.; Gajdardziska-Josifovska, M.; Weinert, M.; Chen, J. H.

2013-02-01

Using first-principles calculations we demonstrate the feasibility of band-gap engineering in two-dimensional crystalline graphene monoxide (GMO), a recently reported graphene-based material with a 1:1 carbon/oxygen ratio. The band gap of GMO, which can be switched between direct and indirect, is tunable over a large range (0-1.35 eV) for accessible strains. Electron and hole transport occurs predominantly along the zigzag and armchair directions (armchair for both) when GMO is a direct- (indirect-) gap semiconductor. A band gap of ˜0.5 eV is also induced in graphene at the K' points for GMO/graphene hybrid systems.

Anomalous mantle transition zone beneath the Yellowstone hotspot track

NASA Astrophysics Data System (ADS)

Zhou, Ying

2018-06-01

The origin of the Yellowstone and Snake River Plain volcanism has been strongly debated. The mantle plume model successfully explains the age-progressive volcanic track, but a deep plume structure has been absent in seismic imaging. Here I apply diffractional tomography to receiver functions recorded at USArray stations to map high-resolution topography of mantle transition-zone discontinuities. The images reveal a trail of anomalies that closely follow the surface hotspot track and correlate well with a seismic wave-speed gap in the subducting Farallon slab. This observation contradicts the plume model, which requires anomalies in the mid mantle to be confined in a narrow region directly beneath the present-day Yellowstone caldera. I propose an alternative interpretation of the Yellowstone volcanism. About 16 million years ago, a section of young slab that had broken off from a subducted spreading centre in the mantle first penetrated the 660 km discontinuity beneath Oregon and Idaho, and pulled down older stagnant slab. Slab tearing occurred along pre-existing fracture zones and propagated northeastward. This reversed-polarity subduction generated passive upwellings from the lower mantle, which ascended through a water-rich mantle transition zone to produce melting and age-progressive volcanism.

Cell reprogramming modelled as transitions in a hierarchy of cell cycles

NASA Astrophysics Data System (ADS)

Hannam, Ryan; Annibale, Alessia; Kühn, Reimer

2017-10-01

We construct a model of cell reprogramming (the conversion of fully differentiated cells to a state of pluripotency, known as induced pluripotent stem cells, or iPSCs) which builds on key elements of cell biology viz. cell cycles and cell lineages. Although reprogramming has been demonstrated experimentally, much of the underlying processes governing cell fate decisions remain unknown. This work aims to bridge this gap by modelling cell types as a set of hierarchically related dynamical attractors representing cell cycles. Stages of the cell cycle are characterised by the configuration of gene expression levels, and reprogramming corresponds to triggering transitions between such configurations. Two mechanisms were found for reprogramming in a two level hierarchy: cycle specific perturbations and a noise induced switching. The former corresponds to a directed perturbation that induces a transition into a cycle-state of a different cell type in the potency hierarchy (mainly a stem cell) whilst the latter is a priori undirected and could be induced, e.g. by a (stochastic) change in the cellular environment. These reprogramming protocols were found to be effective in large regimes of the parameter space and make specific predictions concerning reprogramming dynamics which are broadly in line with experimental findings.

Structural and optical properties of lithium sodium borate glasses doped with Sm3+ ions

NASA Astrophysics Data System (ADS)

Dawaud, R. S. E. S.; Hashim, S.; Alajerami, Y. S. M.; Mhareb, M. H. A.; Maqableh, M. M.; Tamchek, N.

2014-07-01

Absorption and emission spectra of Sm3+ doped lithium sodium borate (LNB) have been reported. The samples were prepared by the melt-quenching technique and characterized by X-ray diffraction (XRD), diffraction thermal analysis (DTA), Fourier transforms infrared (FTIR) spectroscopy and field emission scanning electron microscopy (FESEM). From the thermo-grams spectrum, glass transition (Tg), crystallization (Tc) and melting temperatures (Tm) have been evaluated. Direct and indirect optical band gaps have been calculated based on the glasses UV absorption spectra. These glasses have shown strong nine absorption bands with hypersensitive transition at 1221 nm (6H5/2→4H3/2) and five emission bands for the transition at 4I7/2→6H13/2 (green color), 4I7/2→6H7/2 (orange color), 4I7/2→6H9/2 (orange color), 4I7/2→6H11/2 (red color) and 4I7/2→6H13/2 (red color) with performing an excitation of 400 nm. The oscillator strengths, refractive index, ions concentration, polaron radius and other parameters have been calculated for each dopant.

Investigation of electronic structures and optical properties of β -Si3N4 doped with IV A elements: A first-principles simulation

NASA Astrophysics Data System (ADS)

Lu, Xuefeng; Gao, Xu; Ren, Junqiang; Li, Cuixia; Guo, Xin; Wei, Yupeng; La, Peiqing

2018-04-01

Based on first-principles simulations with the generalized gradient approximation (GGA) of the Perdew-Burke-Ernzerhof (PBE) functional, we studied the electronic structures and optical properties of hexagonal silicon nitride (β-Si3N4) doped with IV A elements, C, Ge, Sn and Pb. It was found that the Ge-doped system is characterized by a more stable structure with a lower formation energy of 2.584 eV compared with those of the C-, Sn- and Pb-doped systems of 3.877 eV, 5.249 eV and 7.672 eV, respectively. The band gap (EG) of the Pb-doped system was the lowest at 1.6 eV, displaying semiconducting characteristics. Additionally, there was a transition from a direct band gap to an indirect band gap in the C-doped system. Charge difference density analysis showed that the covalent property of the C-N bonds was enhanced by expansion of the electron-free region and the larger Mulliken population values of 0.71 and 0.86. Furthermore, lower absorption and reflectivity peaks at 11.30 eV were observed for the C-doped system, demonstrating its broader potential for application in photoelectric and microelectronic devices.

Electronic structure of the ingredient planes of Bi2Sr2CaCu2O8 + δ and Bi2Sr2CuO6 + δ superconductors

NASA Astrophysics Data System (ADS)

Ma, Xucun

Understanding the mechanism of high transition temperature superconductivity in cuprates has been hindered by the apparent complexity of their multilayered crystal structure. Using a cryogenic scanning tunneling microscopy (STM), we report on layer-by-layer probing of the electronic structures of the ingredient planes (BiO, SrO, CuO2) of Bi2Sr2CaCu2O8 + δ (Bi-2212) and Bi2Sr2CuO6 + δ (Bi-2201) superconductors prepared by argon-ion bombardment and annealing (IBA) technique. We show that the well-known pseudogap (PG) feature observed by STM is inherently a property of the charge reservoir planes and thus irrelevant directly to Cooper pairing. The CuO2 planes are exclusively characterized by a small gap inside the PG. The small gap becomes invisible near Tc, which we identify as the superconducting gap. The results constitute severe constraints on any microscopic model for high Tc superconductivity in cuprates. Contributors: Yan-Feng Lv, Wen-Lin Wang, Hao Ding, Yang Wang, Yong Zhong, Ying Ding, Ruidan Zhong, John Schneeloch, Gen-Da Gu, Lili Wang, Ke He, Shuai-Hua Ji, Lin Zhao, Xing-Jiang Zhou Can-Li Song, and Qi-Kun Xue. NSF and MOST of China.

Investigations of the drift mobility of carriers and density of states in nanocrystalline CdS thin films

NASA Astrophysics Data System (ADS)

Singh, Baljinder; Singh, Janpreet; Kaur, Jagdish; Moudgil, R. K.; Tripathi, S. K.

2016-06-01

Nanocrystalline Cadmium Sulfide (nc-CdS) thin films have been prepared on well-cleaned glass substrate at room temperature (300 K) by thermal evaporation technique using inert gas condensation (IGC) method. X-ray diffraction (XRD) analysis reveals that the films crystallize in hexagonal structure with preferred orientation along [002] direction. Scanning electron microscope (SEM) and Transmission electron microscope (TEM) studies reveal that grains are spherical in shape and uniformly distributed over the glass substrates. The optical band gap of the film is estimated from the transmittance spectra. Electrical parameters such as Hall coefficient, carrier type, carrier concentration, resistivity and mobility are determined using Hall measurements at 300 K. Transit time and mobility are estimated from Time of Flight (TOF) transient photocurrent technique in gap cell configuration. The measured values of electron drift mobility from TOF and Hall measurements are of the same order. Constant Photocurrent Method in ac-mode (ac-CPM) is used to measure the absorption spectra in low absorption region. By applying derivative method, we have converted the measured absorption data into a density of states (DOS) distribution in the lower part of the energy gap. The value of Urbach energy, steepness parameter and density of defect states have been calculated from the absorption and DOS spectra.

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

NASA Astrophysics Data System (ADS)

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

2006-11-01

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

Sexual orientation, internal migration, and mental health during the transition to adulthood.

PubMed

Ueno, Koji; Vaghela, Preeti; Ritter, Lacey J

2014-12-01

Previous research has suggested that sexual minorities may have higher rates of migration than heterosexuals, indicating their effort to escape stigma in the currently residing areas. However, direct evidence for the migration pattern has been lacking, and mental health implications of such coping effort have been unclear. This study seeks to fill these gaps in the literature by analyzing the Add Health data, which include longitudinal measures of residential locations, sexual orientation, and mental health. The analysis focuses on the transition to adulthood, when the rate of internal migration peaks. Among women, sexual minorities have a higher rate of migration than heterosexuals, but men do not show such a difference. Sexual minorities show better mental health when they migrate to counties with higher proportions of people living in urban areas whereas heterosexuals do not show such an association. Among sexual minority men, migration to counties with higher population density and higher proportions of college-educated residents is also linked to better mental health. © American Sociological Association 2014.

Numerical analysis of a red blood cell flowing through a thin micropore.

PubMed

Omori, Toshihiro; Hosaka, Haruki; Imai, Yohsuke; Yamaguchi, Takami; Ishikawa, Takuji

2014-01-01

Red blood cell (RBC) deformability plays a key role in microcirculation, especially in vessels that have diameters even smaller than the nominal cell size. In this study, we numerically investigate the dynamics of an RBC in a thin micropore. The RBC is modeled as a capsule with a thin hyperelastic membrane. In a numerical simulation, we employ a boundary element method for fluid mechanics and a finite element method for membrane mechanics. The resulting RBC deformation towards the flow direction is suppressed considerably by increased cytoplasm viscosity, whereas the gap between the cell membrane and solid wall becomes smaller with higher cytoplasm viscosity. We also measure the transit time of the RBC and find that nondimensional transit time increases nonlinearly with respect to the viscosity ratio, whereas it is invariant to the capillary number. In conclusion, cytoplasmic viscosity plays a key role in the dynamics of an RBC in a thin pore. The results of this study will be useful for designing a microfluidic device to measure cytoplasmic viscosity.

Phonon-induced topological transition to a type-II Weyl semimetal

DOE PAGES

Wang, Lin-Lin; Jo, Na Hyun; Wu, Yun; ...

2017-04-11

Given the importance of crystal symmetry for the emergence of topological quantum states, we have studied here, as exemplified in NbNiTe 2, the interplay of crystal symmetry, atomic displacements (lattice vibration), band degeneracy, and band topology. For the NbNiTe 2 structure in space-group 53 (Pmna)$-$ having an inversion center arising from two glide planes and one mirror plane with a two-fold rotation and screw axis$-$a full gap opening exists between two band manifolds near the Fermi energy. Upon atomic displacements by optical phonons, the symmetry lowers to space-group 28 (Pma2), eliminating one glide plane along c, the associated rotation andmore » screw axis, and the inversion center. As a result, 20 Weyl points emerge, including four type-IIWeyl points in the Γ-X direction at the boundary between a pair of adjacent electron and hole bands. Thus, optical phonons may offer control of the transition to a Weyl fermion state.« less

Study of the optical properties of CuAlS2 thin films prepared by two methods

NASA Astrophysics Data System (ADS)

Ahmad, S. M.

2017-04-01

CuAlS2 thin films were successfully deposited on glass substrates using two methods: chemical spray pyrolysis (CSP) and chemical bath deposition (CBD). It was confirmed from the X-ray diffraction (XRD) analysis that CSP films exhibited a polycrystalline nature while amorphous nature was diagnosed for CBD films. Also XRD analysis was utilized to compute grain size, strain and dislocation density. Surface morphology was characterized using scanning electron microscope and photomicroscope images. The optical absorption measurement revealed that the direct allowed electronic transition with band gaps 2.8 eV and 3.0 eV for CBD and CSP methods, respectively. The optical constants, such as extinction coefficient ( k), refractive index ( n), real and imaginary dielectric constants ( ɛ 1, ɛ 2) were discussed. The photoluminescence (PL) spectra of CuAlS2 thin films appeared as a single peak for each of them, and this is attributed to band-to-band transition.

Morphological, elemental, and optical characterization of plasma polymerized n-butyl methacrylate thin films

NASA Astrophysics Data System (ADS)

Nasrin, Rahima; Hossain, Khandker S.; Bhuiyan, A. H.

2018-05-01

Plasma polymerized n-butyl methacrylate (PPnBMA) thin films of varying thicknesses were prepared at room temperature by AC plasma polymerization system using a capacitively coupled parallel plate reactor. Field-emission scanning electron microscopy (FESEM), atomic force microscopy (AFM), energy-dispersive X-ray (EDX) analysis, and ultraviolet-visible (UV-Vis) spectroscopic investigation have been performed to study the morphological, elemental, and optical properties of the PPnBMA thin films, respectively. The flat and defect-free nature of thin films were confirmed by FESEM and AFM images. With declining plasma power, average roughness and root mean square roughness increase. Allowed direct transition ( E gd) and indirect transition ( E gi) energy gaps were found to be 3.64-3.80 and 3.38-3.45 eV, respectively, for PPnBMA thin films of different thicknesses. Values of E gd as well as E gi increase with the increase of thickness. The extinction coefficient, Urbach energy, and steepness parameter were also determined for these thin films.

Structural, electronic and optical properties of monoclinic Na{sub 2}Ti{sub 3}O{sub 7} from density functional theory calculations: A comparison with XRD and optical absorption measurements

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

Araújo-Filho, Adailton A.; Silva, Fábio L.R.; Righi, Ariete

Powder samples of bulk monoclinic sodium trititanate Na{sub 2}Ti{sub 3}O{sub 7} were prepared carefully by solid state reaction, and its monoclinic P2{sub 1}/m crystal structure and morphology were characterized by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM), respectively. Moreover, the sodium trititanate main energy band gap was estimated as E{sub g}=3.51±0.01 eV employing UV–Vis spectroscopy, which is smaller than the measured 3.70 eV energy gap published previously by other authors. Aiming to achieve a better understanding of the experimental data, density functional theory (DFT) computations were performed within the local density and generalized gradient approximations (LDA and GGA,more » respectively) taking into account dispersion effects through the scheme of Tkatchenko and Scheffler (GGA+TS). Optimal lattice parameters, with deviations relative to measurements Δa=−0.06 Å, Δb=0.02 Å, and Δc=−0.09 Å, were obtained at the GGA level, which was then used to simulate the sodium trititanate electronic and optical properties. Indirect band transitions have led to a theoretical gap energy value of about 3.25 eV. Our results, however, differ from pioneer DFT results with respect to the specific Brillouin zone vectors for which the indirect transition with smallest energy value occurs. Effective masses for electrons and holes were also estimated along a set of directions in reciprocal space. Lastly, our calculations revealed a relatively large degree of optical isotropy for the Na{sub 2}Ti{sub 3}O{sub 7} optical absorption and complex dielectric function. - Graphical abstract: Monoclinic sodium trititanate Na2Ti3O7 was characterized by experiment and dispersion-corrected DFT calculations. An indirect gap of 3.5 eV is predicted, with heavy electrons and anisotropic holes ruling its conductivity. - Highlights: • Monoclinic Na2Ti3O7 was characterized by experiment (XRD, SEM, UV–Vis spectroscopy). • DFT GGA+TS optimized geometry and optoelectronic properties were obtained. • An experimental (theoretical) indirect gap of 3.5 (3.25) eV is predicted. • Heavy electrons and anisotropic holes rule the conductivity. • Ti-O bond lengths and charge states probably cause oxygen reactivity variations.« less

Impact of vanadium ions in barium borate glass

NASA Astrophysics Data System (ADS)

Abdelghany, A. M.; Hammad, Ahmed H.

2015-02-01

Combined optical and infrared spectral measurements of prepared barium borate glasses containing different concentrations of V2O5 were carried out. Vanadium containing glasses exhibit extended UV-visible (UV/Vis.) bands when compared with base binary borate glass. UV/Vis. spectrum shows the presence of an unsymmetrical strong UV broad band centered at 214 nm attributed to the presence of unavoidable trace iron impurities within the raw materials used for the preparation of such glass. The calculated direct and indirect optical band gaps are found to decrease with increasing the vanadium content (2.9:137 for indirect and 3.99:2.01 for direct transition). This change was discussed in terms of structural changes in the glass network. Infrared absorption spectra of the glasses reveal the appearance of both triangular and tetrahedral borate units. Electron spin resonance analyses indicate the presence of unpaired species in sufficient quantity to be identified and to confirm the spectral data.

Direct observation of the Higgs amplitude mode in a two-dimensional quantum antiferromagnet near the quantum critical point

NASA Astrophysics Data System (ADS)

Hong, Tao; Matsumoto, M.; Qiu, Y.; Chen, W. C.; Gentile, T. R.; Watson, S.; Awwadi, F. F.; Turnbull, M. M.; Dissanayake, S. E.; Agrawal, H.; Toft-Petersen, R.; Klemke, B.; Coester, K.; Schmidt, K. P.; Tennant, D. A.

The emergence of low-energy excitations in the spontaneous symmetry-breaking quantum phase transitions can be characterized by fluctuations of phase and amplitude of the order parameter. The phase oscillations correspond to the massless Nambu-Goldstone (or transverse) modes whereas the massive amplitude (or longitudinal) mode, analogous to the Higgs boson in particle physics, is prone to decay into a pair of low-energy Nambu-Goldstone modes in low dimensions, which makes it experimentally difficult to detect Here, using inelastic neutron scattering and applying the bondoperator theory, we directly and unambiguously identify the Higgs amplitude mode in a two dimensional S = 1/2 quantum antiferromagnet C9H18N2CuBr4 near a quantum critical point in two dimensions. Owing to an anisotropic energy gap of the transverse spin excitation, it kinematically prevents such decay and the Higgs amplitude mode acquires an infinite life time.

The structure of disks around intermediate-mass young stars from mid-infrared interferometry. Evidence for a population of group II disks with gaps

NASA Astrophysics Data System (ADS)

Menu, J.; van Boekel, R.; Henning, Th.; Leinert, Ch.; Waelkens, C.; Waters, L. B. F. M.

2015-09-01

Context. The disks around Herbig Ae/Be stars are commonly divided into group I and group II based on their far-infrared spectral energy distribution, and the common interpretation for that is flared and flat disks. Our understanding of the evolution of these disks is rapidly changing. Recent observations suggest that many flaring disks have gaps, whereas flat disks are thought to be gapless. Aims: The different groups of objects can be expected to have different structural signatures in high-angular-resolution data, related to gaps, dust settling, and flaring. We aim to use such data to gain new insight into disk structure and evolution. Methods: Over the past 10 years, the MIDI instrument on the Very Large Telescope Interferometer has collected observations of several tens of protoplanetary disks. We modeled the large set of observations with simple geometric models and compared the characteristic sizes among the different objects. A population of radiative-transfer models was synthesized for interpreting the mid-infrared signatures. Results: Objects with similar luminosities show very different disk sizes in the mid-infrared. This may point to an intrinsic diversity or could also hint at different evolutionary stages of the disks. Restricting this to the young objects of intermediate mass, we confirm that most group I disks are in agreement with being transitional (i.e., they have gaps). We find that several group II objects have mid-infrared sizes and colors that overlap with sources classified as group I, transition disks. This suggests that these sources have gaps, which has been demonstrated for a subset of them. This may point to an intermediate population between gapless and transition disks. Conclusions: Flat disks with gaps are most likely descendants of flat disks without gaps. Potentially related to the formation of massive bodies, gaps may therefore even develop in disks in a far stage of grain growth and settling. The evolutionary implications of this new population could be twofold. Either gapped flat disks form a separate population of evolved disks or some of them may evolve further into flaring disks with large gaps. The latter transformation may be governed by the interaction with a massive planet, carving a large gap and dynamically exciting the grain population in the disk. Appendices A and B are available in electronic form at http://www.aanda.org

The value of mentorship in medical education.

PubMed

Dalgaty, Faith; Guthrie, Greg; Walker, Heather; Stirling, Kevin

2017-04-01

The transition from senior medical student to working safely and effectively as a new junior doctor is one of the biggest challenges that a new graduate will face. In 2014 the General Medical Council published The state of medical education and practice in the UK, reporting that some new doctors continue to struggle with increased responsibilities. We classify these instances as a 'performance gap', describing occasions in clinical practice where an individual exceeds their performance capacity. The Medical Mentorship Programme addressed identified performance gaps through a structured curriculum of simulation-based education and facilitated clinical practice. Programme content was based on the experiences of the authors and their peers in graduating from their undergraduate training programme and becoming junior doctors. A questionnaire was disseminated to junior doctors in their first clinical rotation. The questionnaire asked doctors to describe instances where they experienced a performance gap. These data informed the development of the Medical Mentorship Programme. The effect of this programme was then evaluated via focus group discussion. The Medical Mentorship Programme has been shown to be an effective conduit for supporting the transfer of learning needed to address performance gaps in students. The programme increased the confidence of students in preparation for clinical practice and allowed junior doctors to reflect on their professional development. The programme combined complementary teaching techniques - mentorship, simulation and direct clinical experience - to aid the professional development of both students and mentors. Some new doctors continue to struggle with increased responsibilities. © 2016 John Wiley & Sons Ltd.

Creation of quasi-Dirac points in the Floquet band structure of bilayer graphene.

PubMed

Cheung, W M; Chan, K S

2017-06-01

We study the Floquet quasi-energy band structure of bilayer graphene when it is illuminated by two laser lights with frequencies [Formula: see text] and [Formula: see text] using Floquet theory. We focus on the dynamical gap formed by the conduction band with Floquet index  =  -1 and the valence band with Floquet index  =  +1 to understand how Dirac points can be formed. It is found that the dynamical gap does not have rotation symmetry in the momentum space, and quasi-Dirac points, where the conduction and valence bands almost touch, can be created when the dynamical gap closes along some directions with suitably chosen radiation parameters. We derive analytical expressions for the direction dependence of the dynamical gaps using Lowdin perturbation theory to gain a better understanding of the formation of quasi-Dirac points. When both radiations are circularly polarized, the gap can be exactly zero along some directions, when only the first and second order perturbations are considered. Higher order perturbations can open a very small gap in this case. When both radiations are linearly polarized, the gap can be exactly zero up to the fourth order perturbation and more than one quasi-Dirac point is formed. We also study the electron velocity around a dynamical gap and show that the magnitude of the velocity drops to values close to zero when the k vector is near to the gap minimum. The direction of the velocity also changes around the gap minimum, and when the gap is larger in value the change in the velocity direction is more gradual. The warping effect does not affect the formation of a Dirac point along the k x axis, while it prevents its formation when there is phase shift between the two radiations.

Effect of Protuberance Shape and Orientation on Space Shuttle Orbiter Boundary-Layer Transition

NASA Technical Reports Server (NTRS)

King, RUdolph A.; Berry, Scott A.; Kegerise, Michael A.

2008-01-01

This document describes an experimental study conducted to examine the effects of protuberances on hypersonic boundary-layer transition. The experiment was conducted in the Langley 20-Inch Mach 6 Tunnel on a series of 0.9%-scale Shuttle Orbiter models. The data were acquired to complement the existing ground-based boundary-layer transition database that was used to develop Version 1.0 of the boundary-layer transition RTF (return-to-flight) tool. The existing ground-based data were all acquired on 0.75%-scale Orbiter models using diamond-shaped ( pizza-box ) trips. The larger model scale facilitated in manufacturing higher fidelity protuberances. The end use of this experimental database will be to develop a technical basis (in the form of a boundary-layer transition correlation) to assess representative protrusion shapes, e.g., gap fillers and protrusions resulting from possible tile repair concepts. The primary objective of this study is to investigate the effects of protuberance-trip location and geometry on Shuttle Orbiter boundary-layer transition. Secondary goals are to assess the effects of gap-filler orientation and other protrusion shapes on boundary-layer transition. Global heat-transfer images using phosphor thermography of the Orbiter windward surface and the corresponding streamwise and spanwise heating distributions were used to infer the state of the boundary layer, i.e., laminar, transitional, or turbulent.

Pressure induced metallization with absence of structural transition in layered molybdenum diselenide

PubMed Central

Zhao, Zhao; Zhang, Haijun; Yuan, Hongtao; Wang, Shibing; Lin, Yu; Zeng, Qiaoshi; Xu, Gang; Liu, Zhenxian; Solanki, G. K.; Patel, K. D.; Cui, Yi; Hwang, Harold Y.; Mao, Wendy L.

2015-01-01

Layered transition-metal dichalcogenides have emerged as exciting material systems with atomically thin geometries and unique electronic properties. Pressure is a powerful tool for continuously tuning their crystal and electronic structures away from the pristine states. Here, we systematically investigated the pressurized behavior of MoSe2 up to ∼60 GPa using multiple experimental techniques and ab-initio calculations. MoSe2 evolves from an anisotropic two-dimensional layered network to a three-dimensional structure without a structural transition, which is a complete contrast to MoS2. The role of the chalcogenide anions in stabilizing different layered patterns is underscored by our layer sliding calculations. MoSe2 possesses highly tunable transport properties under pressure, determined by the gradual narrowing of its band-gap followed by metallization. The continuous tuning of its electronic structure and band-gap in the range of visible light to infrared suggest possible energy-variable optoelectronics applications in pressurized transition-metal dichalcogenides. PMID:26088416

Pressure induced metallization with absence of structural transition in layered molybdenum diselenide

DOE PAGES

Zhao, Zhao; Zhang, Haijun; Yuan, Hongtao; ...

2015-06-19

Layered transition-metal dichalcogenides have emerged as exciting material systems with atomically thin geometries and unique electronic properties. Pressure is a powerful tool for continuously tuning their crystal and electronic structures away from the pristine states. Here, we systematically investigated the pressurized behavior of MoSe 2 up to ~60 GPa using multiple experimental techniques and ab-initio calculations. MoSe 2 evolves from an anisotropic two-dimensional layered network to a three-dimensional structure without a structural transition, which is a complete contrast to MoS 2. The role of the chalcogenide anions in stabilizing different layered patterns is underscored by our layer sliding calculations. MoSemore » 2 possesses highly tunable transport properties under pressure, determined by the gradual narrowing of its band-gap followed by metallization. The continuous tuning of its electronic structure and band-gap in the range of visible light to infrared suggest possible energy-variable optoelectronics applications in pressurized transition-metal dichalcogenides.« less

Many-body localization transition: Schmidt gap, entanglement length, and scaling

NASA Astrophysics Data System (ADS)

Gray, Johnnie; Bose, Sougato; Bayat, Abolfazl

2018-05-01

Many-body localization has become an important phenomenon for illuminating a potential rift between nonequilibrium quantum systems and statistical mechanics. However, the nature of the transition between ergodic and localized phases in models displaying many-body localization is not yet well understood. Assuming that this is a continuous transition, analytic results show that the length scale should diverge with a critical exponent ν ≥2 in one-dimensional systems. Interestingly, this is in stark contrast with all exact numerical studies which find ν ˜1 . We introduce the Schmidt gap, new in this context, which scales near the transition with an exponent ν >2 compatible with the analytical bound. We attribute this to an insensitivity to certain finite-size fluctuations, which remain significant in other quantities at the sizes accessible to exact numerical methods. Additionally, we find that a physical manifestation of the diverging length scale is apparent in the entanglement length computed using the logarithmic negativity between disjoint blocks.

Optical and Luminescence Properties of β-NaFeO2 Nanoparticles

NASA Astrophysics Data System (ADS)

Singh, Sarbjit; Tangra, Ankush Kumar; Lotey, Gurmeet Singh

2018-05-01

β-NaFeO2 nanoparticles have been synthesized by sol-gel method and their morphological, structural and optical properties investigated. Transmission electron microscope study reveals that the size of the synthesis nanoparticles is 37 nm and they are possessing spherical symmetry. X-ray diffraction pattern shows the orthorhombic crystal structure of nanoparticles with space group Pn21 a. UV-visible spectra of β-NaFeO2 divulges that these nanoparticles have direct band gap 2.35 eV. The observed Fourier transform infrared spectroscopy spectra confirms the presence of Fe-Na bonding at 1074 cm-1. The photoluminescence study of these nanoparticles shows that these nanoparticles possesses various transition in the visible spectrum.

Scaling laws for AC gas breakdown and implications for universality

NASA Astrophysics Data System (ADS)

Loveless, Amanda M.; Garner, Allen L.

2017-10-01

The reduced dependence on secondary electron emission and electrode surface properties makes radiofrequency (RF) and microwave (MW) plasmas advantageous over direct current (DC) plasmas for various applications, such as microthrusters. Theoretical models relating molecular constants to alternating current (AC) breakdown often fail due to incomplete understanding of both the constants and the mechanisms involved. This work derives simple analytic expressions for RF and MW breakdown, demonstrating the transition between these regimes at their high and low frequency limits, respectively. We further show that the limiting expressions for DC, RF, and MW breakdown voltage all have the same universal scaling dependence on pressure and gap distance at high pressure, agreeing with experiment.

Influence of sputtering pressure on optical constants of a-GaAs1-xNx thin films

NASA Astrophysics Data System (ADS)

Baoshan, Jia; Yunhua, Wang; Lu, Zhou; Duanyuan, Bai; Zhongliang, Qiao; Xin, Gao; Baoxue, Bo

2012-08-01

Amorphous GaAs1-xNx (a-GaAs1-xNx) thin films have been deposited at room temperature by a reactive magnetron sputtering technique on glass substrates with different sputtering pressures. The thickness, nitrogen content, carrier concentration and transmittance of the as-deposited films were determined experimentally. The influence of sputtering pressure on the optical band gap, refractive index and dispersion parameters (Eo, Ed) has been investigated. An analysis of the absorption coefficient revealed a direct optical transition characterizing the as-deposited films. The refractive index dispersions of the as-deposited a-GaAs1-xNx films fitted well to the Cauchy dispersion relation and the Wemple model.

Data correlation and analysis of arc tunnel and wind tunnel tests of RSI joints and gaps. Volume 1: Technical report

NASA Technical Reports Server (NTRS)

Christensen, H. E.; Kipp, H. W.

1974-01-01

Heat transfer data measured in gaps typical of those under consideration for joints in space shuttle reusable surface insulation protection systems have been assimilated, analyzed and correlated. The data were obtained in four NASA facilities. Several types of gaps were investigated with emphasis on simple butt joints. Gap widths ranged from 0.07 to 0.7 cm and depths ranged from 1 to 6 cm. Laminar, transitional and turbulent boundary layer flows over the gap opening were investigated. Three-dimensional heating variations were observed within gaps in the absence of external flow pressure gradients. Heat transfer correlation equations were obtained for several of the tests. Thermal protection system performance with and without gaps was compared for a representative shuttle entry trajectory.

4f fine-structure levels as the dominant error in the electronic structures of binary lanthanide oxides.

PubMed

Huang, Bolong

2016-04-05

The ground-state 4f fine-structure levels in the intrinsic optical transition gaps between the 2p and 5d orbitals of lanthanide sesquioxides (Ln2 O3 , Ln = La…Lu) were calculated by a two-way crossover search for the U parameters for DFT + U calculations. The original 4f-shell potential perturbation in the linear response method were reformulated within the constraint volume of the given solids. The band structures were also calculated. This method yields nearly constant optical transition gaps between Ln-5d and O-2p orbitals, with magnitudes of 5.3 to 5.5 eV. This result verifies that the error in the band structure calculations for Ln2 O3 is dominated by the inaccuracies in the predicted 4f levels in the 2p-5d transition gaps, which strongly and non-linearly depend on the on-site Hubbard U. The relationship between the 4f occupancies and Hubbard U is non-monotonic and is entirely different from that for materials with 3d or 4d orbitals, such as transition metal oxides. This new linear response DFT + U method can provide a simpler understanding of the electronic structure of Ln2 O3 and enables a quick examination of the electronic structures of lanthanide solids before hybrid functional or GW calculations. © 2015 Wiley Periodicals, Inc.

Topological magnons in a one-dimensional itinerant flatband ferromagnet

NASA Astrophysics Data System (ADS)

Su, Xiao-Fei; Gu, Zhao-Long; Dong, Zhao-Yang; Li, Jian-Xin

2018-06-01

Different from previous scenarios that topological magnons emerge in local spin models, we propose an alternative that itinerant electron magnets can host topological magnons. A one-dimensional Tasaki model with a flatband is considered as the prototype. This model can be viewed as a quarter-filled periodic Anderson model with impurities located in between and hybridizing with the nearest-neighbor conducting electrons, together with a Hubbard repulsion for these electrons. By increasing the Hubbard interaction, the gap between the acoustic and optical magnons closes and reopens while the Berry phase of the acoustic band changes from 0 to π , leading to the occurrence of a topological transition. After this transition, there always exist in-gap edge magnonic modes, which is consistent with the bulk-edge correspondence. The Hubbard interaction-driven transition reveals a new mechanism to realize nontrivial magnon bands.

Multinational Experiment 6 (MNE 6) Doctrine Note: Security Transitions

DTIC Science & Technology

2010-10-28

to Transition in Northern Ireland In Armagh, Northern Ireland , public perception became a key driver of the security transition and shaped what had...government and non-state actors, including religious and tribal affiliations, genders , age groups and geographic areas provides a richer basis for planning...functions necessary to maintain security; gaps may also emerge within particular elements of the security and justice sectors. Partners may lack

Transition and Post-School Outcomes for Youth with Disabilities: Closing the Gaps to Post-Secondary Education and Employment.

ERIC Educational Resources Information Center

National Council on Disability, Washington, DC.

This report presents an analysis of research on the state of transition, post-secondary education, and employment outcomes for youth and young adults with disabilities over the past 25 years. It identifies what has worked in the areas of transition planning, services, and supports. It also considers what should work in light of unmet needs and…

Pharmacist managed diabetes and cardiovascular risk reduction clinic in kidney transplant recipients: bridging the gap in care transition.

PubMed

Pinelli, Nicole R; Clark, Lindsey M; Carrington, Anne C; Carrington, Julia L; Malinzak, Lauren; Patel, Anita

2014-12-01

The purpose was to assess the feasibility of a care transition intervention for kidney transplant recipients (KTRs) with diabetes. Results document improved quality indicators and reduced resource utilization. These findings imply that a care transition intervention for KTRs with diabetes is feasible and associated with improved patient outcomes. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Charge disproportionation in tetragonal La2MoO5, a small band gap semiconductor influenced by direct Mo-Mo bonding.

PubMed

Colabello, Diane M; Camino, Fernando E; Huq, Ashfia; Hybertsen, Mark; Khalifah, Peter G

2015-01-28

The structure of the novel compound La2MoO5 has been solved from powder X-ray and neutron diffraction data and belongs to the tetragonal space group P4/m (no. 83) with a = 12.6847(3) Å and c = 6.0568(2) Å and with Z = 8. It consists of equal proportions of bioctahedral (Mo2O10) and square prismatic (Mo2O8) dimers, both of which contain direct Mo-Mo bonds and are arranged in 1D chains. The Mo-Mo bond length in the Mo2O10 dimers is 2.684(8) Å, while there are two types of Mo2O8 dimers with Mo-Mo bonds lengths of 2.22(2) and 2.28(2) Å. Although the average Mo oxidation state in La2MoO5 is 4+, the very different Mo-Mo distances reflect the fact that the Mo2O10 dimers contain only Mo(5+) (d(1)), while the prismatic Mo2O8 dimers only contain Mo(3+) (d(3)), a result directly confirmed by density function theory calculations. This is due to the complete disproportionation of Mo(4+), a phenomenon which has not previously been observed in solid-state compounds. La2MoO5 is diamagnetic, behavior which is not expected for a nonmetallic transition-metal oxide whose cation sites have an odd number of d-electrons. The resistivity displays the Arrhenius-type activated behavior expected for a semiconductor with a band gap of 0.5 eV, exhibiting an unusually small transport gap relative to other diamagnetic oxides. Diffuse reflectance studies indicate that La2MoO5 is a rare example of a stable oxide semiconductor with strong infrared absorbance. It is shown that the d-orbital splitting associated with the Mo2O8 and Mo2O10 dimeric units can be rationalized using simple molecular orbital bonding concepts.

The formation of α-phase SnS nanostructure from a hybrid, multi-layered S/Sn/S/Sn/S thin films: Phase stability, surface morphology and optical studies

NASA Astrophysics Data System (ADS)

Baby, Benjamin Hudson; Bharathi Mohan, D.

2017-11-01

Single phase of SnS thin film was fabricated from S/Sn/S/Sn/S multilayer prepared by using atmospheric pressure and vacuum thermal evaporation methods Glancing angle high vacuum thermal evaporation technique was employed to grow Sn nanorods which facilitated the sulphur diffusion in a faster manner to prepare SnS nanoparticles. The sulphur deposition temperature, sulphur deposition time and tin deposition time were successfully tailored in the synthesis process and stabilized α-phase SnS by probing through confocal micro-Raman spectrometer. X-ray diffraction confirms the formation of SnS crystal structure at sulphur deposition temperature 200 °C. The mechanism of formation of highly porous SnS phase with flower like morphology is explained from the morphological analysis of post deposition annealed film. The complete absence of any oxidation state as evident from Raman as well as EDAX analysis confirms that the proposed sulphurization method could be a suitable, simple and cheap technique for the successful sulphurization of metal films. Band gap calculation from Tauc plot showed a direct band gap value of 1.5 eV for films with single phase of SnS which can be used as a p-type absorber layer in thin film solar cells. Emission studies showed the energy transitions attributed to band edge transition and due to the presence of intrinsic defects.

Characterizing exo-ring systems around fast-rotating stars using the Rossiter-McLaughlin effect

NASA Astrophysics Data System (ADS)

de Mooij, Ernst J. W.; Watson, Christopher A.; Kenworthy, Matthew A.

2017-12-01

Planetary rings produce a distinct shape distortion in transit light curves. However, to accurately model such light curves the observations need to cover the entire transit, especially ingress and egress, as well as an out-of-transit baseline. Such observations can be challenging for long period planets, where the transits may last for over a day. Planetary rings will also impact the shape of absorption lines in the stellar spectrum, as the planet and rings cover different parts of the rotating star (the Rossiter-McLaughlin effect). These line-profile distortions depend on the size, structure, opacity, obliquity and sky-projected angle of the ring system. For slow-rotating stars, this mainly impacts the amplitude of the induced velocity shift; however, for fast-rotating stars the large velocity gradient across the star allows the line distortion to be resolved, enabling direct determination of the ring parameters. We demonstrate that by modelling these distortions we can recover ring system parameters (sky-projected angle, obliquity and size) using only a small part of the transit. Substructure in the rings, e.g. gaps, can be recovered if the width of the features (δW) relative to the size of the star is similar to the intrinsic velocity resolution (set by the width of the local stellar profile, γ) relative to the stellar rotation velocity (v sini, i.e. δW/R* ≳ vsini/γ). This opens up a new way to study the ring systems around planets with long orbital periods, where observations of the full transit, covering the ingress and egress, are not always feasible.

Fingerprints of spin-orbital polarons and of their disorder in the photoemission spectra of doped Mott insulators with orbital degeneracy

NASA Astrophysics Data System (ADS)

Avella, Adolfo; Oleś, Andrzej M.; Horsch, Peter

2018-04-01

We explore the effects of disordered charged defects on the electronic excitations observed in the photoemission spectra of doped transition metal oxides in the Mott insulating regime by the example of the R1 -xCaxVO3 perovskites, where R = La, ⋯, Lu. A fundamental characteristic of these vanadium d2 compounds with partly filled t2 g valence orbitals is the persistence of spin and orbital order up to high doping, in contrast to the loss of magnetic order in high-Tc cuprates at low defect concentration. We study the disordered electronic structure of such doped Mott-Hubbard insulators within the unrestricted Hartree-Fock approximation and, as a result, manage to explain the spectral features that occur in photoemission and inverse photoemission. In particular, (i) the atomic multiplet excitations in the inverse photoemission spectra and the various defect-related states and satellites are qualitatively well reproduced, (ii) a robust Mott gap survives up to large doping, and (iii) we show that the defect states inside the Mott gap develop a soft gap at the Fermi energy. The soft defect-states gap, which separates the highest occupied from the lowest unoccupied states, can be characterized by a shape and a scale parameter extracted from a Weibull statistical sampling of the density of states near the chemical potential. These parameters provide a criterion and a comprehensive schematization for the insulator-metal transition in disordered systems. Our results provide clear indications that doped holes are bound to charged defects and form small spin-orbital polarons whose internal kinetic energy is responsible for the opening of the soft defect-states gap. We show that this kinetic gap survives disorder fluctuations of defects and is amplified by the long-range electron-electron interactions, whereas we observe a Coulomb singularity in the atomic limit. The small size of spin-orbital polarons is inferred by an analysis of the inverse participation ratio and by means of a complementary many-body polaron theory, which yields a similar robust spin and orbital order as the Hartree-Fock approximation. Using realistic parameters for the vanadium perovskite La1 -xCaxVO3 , we show that its soft gap is reproduced as well as the marginal doping dependence of the position of the chemical potential relative to the center of the lower Hubbard band. The present theory uncovers also the reasons why the d1→d0 satellite excitations, which directly probe the effect of the random defect fields on the polaron state, are not well resolved in the available experimental photoemission spectra for La1 -xCaxVO3 .

Sequential planet formation in transition disks: The case of HD 100546

NASA Astrophysics Data System (ADS)

Pinilla, Paola; Birnsitel, Til; Walsh, Catherine; van Dishoeck, Ewine

2015-08-01

Transition disks are circumstellar disks with dust inner cavities and may reveal an intermediate step of the ongoing disk dispersal process, where planet formation might happen. The recent gas and dust observations of transition disks have given major support to the presence of massive planets in transition disks. The analysis of such observations help to constrain the properties of the potential unseen planets. An excellent candidate to analyse the dust evolution when planets are embedded in disks is the transition disk around the Herbig Ae star HD 100546. Near-infrared observations of HD 100546 suggested the presence on an inner planet at 10 AU distance from the star (e.g. Mulders et al. 2013), while an outer planet has been directly imaged at 70 AU distance, which may be in the act of formation (Quant et al. 2013, 2015; Currie et al. 2014). The two embedded planets can lead to remarkable dust structures due to the particle trapping at the edges of the gaps caved by such planets (e.g. Pinilla et al. 2012, 2015). Recent ALMA Cycle 0 observations of this disk reveal a two-ring like structure consistent with particle trapping induced by the two companions (Walsh et al. 2014). The comparison of these observations with dust evolution models, that include the coagulation and fragmentation of dust grains, suggest that the outer companion must be at least two million of years younger than the inner companion, revealing sequential planet formation in this disk (Pinilla et al. 2015, under revision).

Improved understanding of the hot cathode current modes and mode transitions [Mechanism of the hot cathode current mode transitions

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

Campanell, Michael D.; Umansky, M. V.

Hot cathodes are crucial components in a variety of plasma sources and applications, but they induce mode transitions and oscillations that are not fully understood. It is often assumed that negatively biased hot cathodes have a space-charge limited (SCL) sheath whenever the current is limited. Here, we show on theoretical grounds that a SCL sheath cannot persist. First, charge-exchange ions born within the virtual cathode (VC) region get trapped and build up. After the ion density reaches the electron density at a point in the VC, a new neutral region is formed and begins growing in space. In planar geometry,more » this 'new plasma' containing cold trapped ions and cold thermoelectrons grows towards the anode and fills the gap, leaving behind an inverse cathode sheath. This explains how transitions from temperature-limited mode to anode glow mode occur in thermionic discharge experiments with magnetic fields. If the hot cathode is a small filament in an unmagnetized plasma, the trapped ion region is predicted to grow radially in both directions, get expelled if it reaches the cathode, and reform periodically. Filament-induced current oscillations consistent with this prediction have been reported in experiments. Here, we set up planar geometry simulations of thermionic discharges and demonstrate several mode transition phenomena for the first time. Lastly, our continuum kinetic code lacks the noise of particle simulations, enabling a closer study of the temporal dynamics.« less

Improved understanding of the hot cathode current modes and mode transitions [Mechanism of the hot cathode current mode transitions

DOE PAGES

Campanell, Michael D.; Umansky, M. V.

2017-11-22

Hot cathodes are crucial components in a variety of plasma sources and applications, but they induce mode transitions and oscillations that are not fully understood. It is often assumed that negatively biased hot cathodes have a space-charge limited (SCL) sheath whenever the current is limited. Here, we show on theoretical grounds that a SCL sheath cannot persist. First, charge-exchange ions born within the virtual cathode (VC) region get trapped and build up. After the ion density reaches the electron density at a point in the VC, a new neutral region is formed and begins growing in space. In planar geometry,more » this 'new plasma' containing cold trapped ions and cold thermoelectrons grows towards the anode and fills the gap, leaving behind an inverse cathode sheath. This explains how transitions from temperature-limited mode to anode glow mode occur in thermionic discharge experiments with magnetic fields. If the hot cathode is a small filament in an unmagnetized plasma, the trapped ion region is predicted to grow radially in both directions, get expelled if it reaches the cathode, and reform periodically. Filament-induced current oscillations consistent with this prediction have been reported in experiments. Here, we set up planar geometry simulations of thermionic discharges and demonstrate several mode transition phenomena for the first time. Lastly, our continuum kinetic code lacks the noise of particle simulations, enabling a closer study of the temporal dynamics.« less

The photovoltaic efficiency of the fabrication of copolymer P3HT:PCBM on different thickness nano-anatase titania as solar cell

NASA Astrophysics Data System (ADS)

Lazim, Haidar Gazy; Ajeel, Khalid I.; Badran, Hussain A.

2015-06-01

Organic solar cells based on (3-hexylthiophene):[6,6]-phenyl C61-butyric acid methylester (P3HT:PCBM) bulk heterojunction (BHJ) with an inverted structure have been fabricated using nano-anatase crystalline titanium dioxide (TiO2) as their electron transport layer, which was prepared on the indium tin oxide coated glass (ITO-glass), silicon wafer and glass substrates by sol-gel method at different spin speed by using spin-coating (1000, 2000 and 3000 rpm) for nano-thin film 58, 75 and 90 nm respectively. The effect of thickness on the surface morphology and optical properties of TiO2 layer were investigated by atomic force microscopy (AFM), X-ray diffraction and UV-visible spectrophotometer. The optical band gap of the films has been found to be in the range 3.63-3.96 eV for allowed direct transition and to be in the range 3.23-3.69 eV for forbidden direct transition to the different TiO2 thickness. The samples were examined to feature current and voltages darkness and light extraction efficiency of the solar cell where they were getting the highest open-circuit voltage, Voc, and power conversion efficiency were 0.66% and 0.39% fabricated with 90 nm respectively.

Identifying best practices for managing operating costs for rural and small urban transportation systems: technical report.

DOT National Transportation Integrated Search

2016-08-01

Rural and small urban transit providers across the United States face fiscal challenges caused by the growing : gap between the cost of providing transit service and available federal, state, and local funding. In Texas, the : fiscal challenges facin...

Polarimetric Imaging of Large Cavity Structures in the Pre-transitional Protoplanetary Disk around PDS 70: Observations of the Disk

NASA Technical Reports Server (NTRS)

Hashimoto, J.; Hayashi, M.; Iye, M.; Kandori, R.; Kusakabe,N.; Morino, J.-I.; Suto, H.; Suzuki, R.; Tamura, M.; Serabyn, G.;

Color superconductivity from the chiral quark-meson model

NASA Astrophysics Data System (ADS)

Sedrakian, Armen; Tripolt, Ralf-Arno; Wambach, Jochen

2018-05-01

We study the two-flavor color superconductivity of low-temperature quark matter in the vicinity of chiral phase transition in the quark-meson model where the interactions between quarks are generated by pion and sigma exchanges. Starting from the Nambu-Gorkov propagator in real-time formulation we obtain finite temperature (real axis) Eliashberg-type equations for the quark self-energies (gap functions) in terms of the in-medium spectral function of mesons. Exact numerical solutions of the coupled nonlinear integral equations for the real and imaginary parts of the gap function are obtained in the zero temperature limit using a model input spectral function. We find that these components of the gap display a complicated structure with the real part being strongly suppressed above 2Δ0, where Δ0 is its on-shell value. We find Δ0 ≃ 40MeV close to the chiral phase transition.

Zero-temperature quantum annealing bottlenecks in the spin-glass phase.

PubMed

Knysh, Sergey

2016-08-05

A promising approach to solving hard binary optimization problems is quantum adiabatic annealing in a transverse magnetic field. An instantaneous ground state-initially a symmetric superposition of all possible assignments of N qubits-is closely tracked as it becomes more and more localized near the global minimum of the classical energy. Regions where the energy gap to excited states is small (for instance at the phase transition) are the algorithm's bottlenecks. Here I show how for large problems the complexity becomes dominated by O(log N) bottlenecks inside the spin-glass phase, where the gap scales as a stretched exponential. For smaller N, only the gap at the critical point is relevant, where it scales polynomially, as long as the phase transition is second order. This phenomenon is demonstrated rigorously for the two-pattern Gaussian Hopfield model. Qualitative comparison with the Sherrington-Kirkpatrick model leads to similar conclusions.

Ab initio studies of isolated hydrogen vacancies in graphane

NASA Astrophysics Data System (ADS)

Mapasha, R. E.; Molepo, M. P.; Chetty, N.

2016-05-01

We present a density functional study of various hydrogen vacancies located on a single hexagonal ring of graphane (fully hydrogenated graphene) considering the effects of charge states and the position of the Fermi level. We find that uncharged vacancies that lead to a carbon sublattice balance are energetically favorable and are wide band gap systems just like pristine graphane. Vacancies that do create a sublattice imbalance introduce spin polarized states into the band gap, and exhibit a half-metallic behavior with a magnetic moment of 1.00 μB per vacancy. The results show the possibility of using vacancies in graphane for novel spin-based applications. When charging such vacancy configurations, the deep donor (+1/0) and deep acceptor (0/-1) transition levels within the band gap are noted. We also note a half-metallic to metallic transition and a significant reduction of the induced magnetic moment due to both negative and positive charge doping.

Polyanion Driven Antiferromagnetic and Insulating Ground State of Olivine Phosphates: LiMPO4

NASA Astrophysics Data System (ADS)

Jena, Ajit Kumar; Nanda, B. R. K.; Condensed Matter Theory; Computation Team

Through density functional calculations we have investigated the electronic and magnetic properties of LiMPO4, where M is a 3d transition metal element. We find that contrary to many transition metal oxides, in these Olivine phosphates the band gap is originated due to crystal field anisotropy as well as weak O-p - M-d covalent interaction. Both of them are attributed to the presence of PO43- polyanion. The anisotropic crystal field, in the absence of covalent interactions, creates atomically localized non-degenerate M-d states and therefore the gap is a natural outcome. Onsite repulsion, due to strong correlation effect, further enhances the gap. These localized d states favor high-spin configuration which leads to antiferromagnetic ordering due to Hund's coupling. Experimentally observed low Neel temperature of this family of compounds is explained from the DFT obtained spin exchange interaction parameters. Work supported by Nissan Research Program.

Development and preliminary validation of the 'Mind the Gap' scale to assess satisfaction with transitional health care among adolescents with juvenile idiopathic arthritis.

PubMed

Shaw, K L; Southwood, T R; McDonagh, J E

2007-07-01

To develop a scale to assess satisfaction with transitional health care among adolescents with a chronic illness and their parents. The 'Mind the Gap' scale was developed using evidence from a previous needs assessment, in three stages: (1) definition of the construct; (2) design of the scale items, response options and instructions; (3) full administration of the scale, item analysis and dimensionality analysis. The scale was administered to 308 adolescents with juvenile idiopathic arthritis (JIA) and 303 parents/guardians, prior to and 12 months after the implementation of an evaluation of a structured and co-ordinated programme of transitional care. The patient population involved adolescents with JIA and their parents recruited from 10 major UK rheumatology centres. A total of 301 (97.7%) adolescents and 286 (95.0%) parents chose to complete the questionnaire, with median item completion rates of 100.0% (0-100%) for both adolescents and parents thus confirming feasibility. Face and content validity were confirmed. Factor analyses revealed a three-factor structure which explained 49.5% and 56.1% of the variation in adolescent and parent scores respectively. The internal consistency of each subscale ('management of environment', 'provider characteristics' and 'process issues') was indicated by Cronbach's alphas of 0.71, 0.89 and 0.89 for adolescents, respectively, and 0.83, 0.91 and 0.92 for parents respectively. Cronbach's alphas for the entire scales were 0.91 and 0.94 for the adolescent and parent forms respectively. These preliminary results report the potential of the 'Mind the Gap' scale in evaluating transitional care for adolescents with JIA. In view of the generic nature of transitional care reflected in the scale, this scale has wider potential for use with adolescents with other chronic illness in view of the generic nature of transition. This development is particularly timely in the context of transitional care developments in the UK and further validation of the scale is in progress.

Zero-gap semiconductor to excitonic insulator transition in Ta2NiSe5.

PubMed

Lu, Y F; Kono, H; Larkin, T I; Rost, A W; Takayama, T; Boris, A V; Keimer, B; Takagi, H

2017-02-16

The excitonic insulator is a long conjectured correlated electron phase of narrow-gap semiconductors and semimetals, driven by weakly screened electron-hole interactions. Having been proposed more than 50 years ago, conclusive experimental evidence for its existence remains elusive. Ta 2 NiSe 5 is a narrow-gap semiconductor with a small one-electron bandgap E G of <50 meV. Below T C =326 K, a putative excitonic insulator is stabilized. Here we report an optical excitation gap E op ∼0.16 eV below T C comparable to the estimated exciton binding energy E B . Specific heat measurements show the entropy associated with the transition being consistent with a primarily electronic origin. To further explore this physics, we map the T C -E G phase diagram tuning E G via chemical and physical pressure. The dome-like behaviour around E G ∼0 combined with our transport, thermodynamic and optical results are fully consistent with an excitonic insulator phase in Ta 2 NiSe 5 .

Effet des Plastifiants sur la Temperature de Transition Vitreuse, Tg, du Butadiene a Terminaison Hydroxy et du Polyazoture de Glycidyle - Simulations et Experiences (Effect of the Plasticizers on the Vitreous Transition Temperature, Tg, of the Butadiene to Termination Hydroxy and the Polyazoture of Glycidyle - Simulations and Experiences)

DTIC Science & Technology

2008-09-01

diverses temperatures 26 a) HTPB pur b) HTPB-DOA (polymere et plastifiant) c) GAP pur d) Gpl pur e)Gap-Gpl Liste des tableaux Tableau 1...Composition des mailles amorphes construites 11 Tableau 2. Proprietes des polymeres et plastifiants utilises 11 Tableau 3. Comparaisons entre les Tt...obtenues experimentalement, les T% publiees dans les ecrits scientifiques et celles predites a partir des 7"gdes composes purs 19 Tableau 4. Comparaison

Electronic, ductile, phase transition and mechanical properties of Lu-monopnictides under high pressures.

PubMed

Gupta, Dinesh C; Bhat, Idris Hamid

2013-12-01

The structural, elastic and electronic properties of lutatium-pnictides (LuN, LuP, LuAs, LuSb, and LuBi) were analyzed by using full-potential linearized augmented plane wave within generalized gradient approximation in the stable rock-salt structure (B1 phase) with space group Fm-3m and high-pressure CsCl structure (B2 phase) with space group Pm-3m. Hubbard-U and spin-orbit coupling were included to predict correctly the semiconducting band gap of LuN. Under compression, these materials undergo first-order structural transitions from B1 to B2 phases at 241, 98, 56.82, 25.2 and 32.3 GPa, respectively. The computed elastic properties show that LuBi is ductile by nature. The electronic structure calculations show that LuN is semiconductor at ambient conditions with an indirect band gap of 1.55 eV while other Lu-pnictides are metallic. It was observed that LuN shows metallization at high pressures. The structural properties, viz, equilibrium lattice constant, bulk modulus and its pressure derivative, transition pressure, equation of state, volume collapse, band gap and elastic moduli, show good agreement with available data.

A visible light photocatalyst: effects of vanadium substitution on ETS-10.

PubMed

Marie Shough, Anne; Lobo, Raul F; Doren, Douglas J

2007-10-07

Hybrid density functional theory/molecular mechanics (DFT/MM) methods have been used to investigate the effects of vanadium substitution in ETS-10. Models have been developed to contain varying concentrations of V(IV) and V(V) within the O-M-O (M = Ti, V) chain. Most of the V-substituted models have a localized mid-gap state. The occupation of this localized state depends upon the dopant oxidation state, leading to the addition of multiple low energy transitions. A linear correlation has been identified between band gap energies estimated using ground state orbital energies and those calculated using the more accurate and computationally demanding time-dependent DFT (TDDFT) method for a variety of transition metal substituted models of ETS-10. Consistent with experimental data for V substitution, our models predict a decrease in the optical band gap with increasing [V], due to a lowering of the delocalized d-orbital states at the bottom of the conduction band with increasing V d-orbital character. This effect is more pronounced in the case of V(V) substitution than V(IV). Excitation energies for the V-doped models, calculated with TDDFT methods correlate well with experimental data, allowing for the assignment of specific optical transitions to experimental UV-Vis spectra. The electronic structure of V-substituted ETS-10 at high V concentration demonstrates band gap energies within the visible range of the spectrum. Additionally, at high [V] the band gap energy and presence of low energy electron traps can be controlled by the relative concentration of V(IV) and V(V) along the O-M-O chain, establishing V-substituted ETS-10 as a promising visible light photocatalyst.

Electronic properties of hexagonal gallium phosphide: A DFT investigation

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

Kumar, Vipin; Shah, Esha V.; Roy, Debesh R., E-mail: drr@ashd.svnit.ac.in

2016-05-23

A detail density functional investigation is performed to develop hexagonal 2D gallium phosphide material. The geometry, band structure and density of states (total and projected) of 2D hexagonal GaP are reported in detail. It is heartening to note that the developed material is identified as an indirect band gap semiconductor. The indirect gap for this material is predicted as 1.97 eV at K-Γ, and a direct gap of 2.28 eV at K point is achieved, which is very close to the reported direct band gap for zinc blende and buckled structures of GaP.

Point defects in Cu 2ZnSnSe 4(CZTSe): Resonant X-ray diffraction study of the low-temperature order/disorder transition

DOE PAGES

Schelhas, L. T.; Stone, K. H.; Harvey, S. P.; ...

2017-07-25

We report that the interest in Cu 2ZnSn(S,Se) 4 (CZTS) for photovoltaic applications is motivated by similarities to Cu(In,Ga)Se 2 while being comprised of non-toxic and earth abundant elements. However, CZTS suffers from a V oc deficit, where the V oc is much lower than expected based on the band gap, which may be the result of a high concentration of point-defects in the CZTS lattice. Recently, reports have observed a low-temperature order/disorder transition by Raman and optical spectroscopies in CZTS films and is reported to describe the ordering of Cu and Zn atoms in the CZTS crystal structure. Tomore » directly determine the level of Cu/Zn ordering, we have used resonant-XRD, a site, and element specific probe of long range order. We used CZTSe films annealed just below and quenched from just above the transition temperature; based on previous work, the Cu and Zn should be ordered and highly disordered, respectively. Our data show that there is some Cu/Zn ordering near the low temperature transition but significantly less than high chemical order expected from Raman. Finally, to understand both our resonant-XRD results and the Raman results, we present a structural model that involves antiphase domain boundaries and accommodates the excess Zn within the CZTS lattice.« less

Improved understanding of the hot cathode current modes and mode transitions

NASA Astrophysics Data System (ADS)

Campanell, M. D.; Umansky, M. V.

2017-12-01

Hot cathodes are crucial components in a variety of plasma sources and applications, but they induce mode transitions and oscillations that are not fully understood. It is often assumed that negatively biased hot cathodes have a space-charge limited (SCL) sheath whenever the current is limited. Here, we show on theoretical grounds that a SCL sheath cannot persist. First, charge-exchange ions born within the virtual cathode (VC) region get trapped and build up. After the ion density reaches the electron density at a point in the VC, a new neutral region is formed and begins growing in space. In planar geometry, this ‘new plasma’ containing cold trapped ions and cold thermoelectrons grows towards the anode and fills the gap, leaving behind an inverse cathode sheath. This explains how transitions from temperature-limited mode to anode glow mode occur in thermionic discharge experiments with magnetic fields. If the hot cathode is a small filament in an unmagnetized plasma, the trapped ion region is predicted to grow radially in both directions, get expelled if it reaches the cathode, and reform periodically. Filament-induced current oscillations consistent with this prediction have been reported in experiments. Here, we set up planar geometry simulations of thermionic discharges and demonstrate several mode transition phenomena for the first time. Our continuum kinetic code lacks the noise of particle simulations, enabling a closer study of the temporal dynamics.

The neglected social dimensions to a vehicle-to-grid (V2G) transition: a critical and systematic review

NASA Astrophysics Data System (ADS)

Sovacool, Benjamin K.; Noel, Lance; Axsen, Jonn; Kempton, Willett

2018-01-01

Vehicle-to-grid (V2G) refers to efforts to bi-directionally link the electric power system and the transportation system in ways that can improve the sustainability and security of both. A transition to V2G could enable vehicles to simultaneously improve the efficiency (and profitability) of electricity grids, reduce greenhouse gas emissions for transport, accommodate low-carbon sources of energy, and reap cost savings for owners, drivers, and other users. To understand the recent state of this field of research, here we conduct a systematic review of 197 peer-reviewed articles published on V2G from 2015 to early 2017. We find that the majority of V2G studies in that time period focus on technical aspects of V2G, notably renewable energy storage, batteries, or load balancing to minimize electricity costs, in some cases including environmental goals as constraints. A much lower proportion of studies focus on the importance of assessing environmental and climate attributes of a V2G transition, or on the role of consumer acceptance and knowledge of V2G systems. Further, there is need for exploratory work on natural resource use and externalities, discourses and narratives as well as social justice, gender, and urban resilience considerations. These research gaps need to be addressed if V2G is to achieve the societal transition its advocates seek.

Highly anisotropic exchange interactions of j eff = 1 2 iridium moments on the fcc lattice in La 2 B IrO 6   ( B = Mg , Zn )

DOE PAGES

Aczel, A. A.; Cook, A. M.; Williams, T. J.; ...

2016-06-20

Here we have performed inelastic neutron scattering (INS) experiments to investigate the magnetic excitations in the weakly distorted face-centered-cubic (fcc) iridate double perovskites Lamore » $$_2$$ZnIrO$$_6$$ and La$$_2$$MgIrO$$_6$$, which are characterized by A-type antiferromagnetic ground states. The powder inelastic neutron scattering data on these geometrically frustrated $$j_{\\rm eff}=1/2$$ Mott insulators provide clear evidence for gapped spin wave excitations with very weak dispersion. The INS results and thermodynamic data on these materials can be reproduced by conventional Heisenberg-Ising models with significant uniaxial Ising anisotropy and sizeable second-neighbor ferromagnetic interactions. Such a uniaxial Ising exchange interaction is symmetry-forbidden on the ideal fcc lattice, so that it can only arise from the weak crystal distortions away from the ideal fcc limit. This may suggest that even weak distortions in $$j_{\\rm eff}=1/2$$ Mott insulators might lead to strong exchange anisotropies. More tantalizingly, however, we find an alternative viable explanation of the INS results in terms of spin models with a dominant Kitaev interaction. In contrast to the uniaxial Ising exchange, the highly-directional Kitaev interaction is a type of exchange anisotropy which is symmetry-allowed even on the ideal fcc lattice. The Kitaev model has a magnon gap induced by quantum order-by-disorder, while weak anisotropies of the Kitaev couplings generated by the symmetry-lowering due to lattice distortions can pin the order and enhance the magnon gap. In conclusion, our findings highlight how even conventional magnetic orders in heavy transition metal oxides may be driven by highly-directional exchange interactions rooted in strong spin-orbit coupling.« less

A Mutant Connexin50 with Enhanced Hemichannel Function Leads to Cell Death

PubMed Central

Minogue, Peter J.; Tong, Jun-Jie; Arora, Anita; Russell-Eggitt, Isabelle; Hunt, David M.; Moore, Anthony T.; Ebihara, Lisa; Beyer, Eric C.; Berthoud, Viviana M.

2009-01-01

PURPOSE To determine the consequences of expression of a novel connexin50 (CX50) mutant identified in a child with congenital total cataracts. METHODS The GJA8 gene was directly sequenced. Formation of functional channels was assessed by two-microelectrode voltage-clamp. Connexin protein levels and distribution were assessed by immunoblotting and immunofluorescence. The proportion of apoptotic cells was determined by flow cytometry. RESULTS Direct sequencing of the GJA8 gene identified a 137 G>T transition that resulted in the replacement of glycine by valine at position 46 of the coding region of CX50 (CX50G46V). Both CX50 and CX50G46V induced gap junctional currents in pairs of Xenopus oocytes. In single Xenopus oocytes, CX50G46V induced connexin hemichannel currents that were activated by removal of external calcium; their magnitudes were much higher than those in oocytes injected with similar amounts of CX50 cRNA. When expressed in HeLa cells under the control of an inducible promoter, both CX50 and CX50G46V formed gap junctional plaques. Induction of CX50G46V expression led to a decrease in cell number and an increase in the proportion of apoptotic cells. CX50G46V-induced cell death was prevented by high concentrations of extracellular calcium ions. CONCLUSIONS Unlike previously characterized CX50 mutants that exhibit impaired trafficking and/or lack of function, CX50G46V traffics properly to the plasma membrane and forms functional hemichannels and gap junction channels; however, it causes cell death even when expressed at minute levels. The biochemical results indirectly suggest a potential novel mechanism by which connexin mutants could lead to cataracts: cytotoxicity due to enhanced hemichannel function. PMID:19684000

The Widening Gap--A Swedish Perspective

ERIC Educational Resources Information Center

Brandell, Gerd; Hemmi, Kristi; Thunberg, Hans

2008-01-01

Transition problems from secondary to tertiary level in mathematics have been a recurrent issue in Sweden. This paper summarises the development during the last decades. Results from two recent research studies that illuminate the transition problem are presented. The first one, based on empirical data from a major Swedish technical university,…

Chinese Children's Perceptions of Aggression among Peers at School

ERIC Educational Resources Information Center

Wong, Mun

2017-01-01

Recent research suggests that children may encounter aggressive behaviour during the transition from preschool to school. Yet, relatively few longitudinal studies have been conducted on children's perceptions of aggressive behaviour in the transition from preschool to school. This study aims to fill a major gap in the literature by exploring…

Predicting Nursing Facility Transition Candidates Using AID: A Case Study

ERIC Educational Resources Information Center

James, Mary L.; Wiley, Elizabeth; Fries, Brant E.

2007-01-01

Purpose: Although the nursing facility transition literature is growing, little research has analyzed the characteristics of individuals so assisted or compared participants to those who remain institutionalized. This article describes an analytic method that researchers can apply to address these knowledge gaps, using the Arkansas Passages…

Transition from School to VET in German-Speaking Switzerland

ERIC Educational Resources Information Center

Brahm, Taiga; Euler, Dieter; Steingruber, Daniel

2014-01-01

The transition from school to vocational education and training is becoming more difficult for an increasing number of adolescents. Despite the growing significance of "interim solutions" (IS) shaping the pathway after compulsory education, there is hardly any research. This study aims at contributing to this research gap by…

Working Together for Children: Strengthening Transition Pathways

ERIC Educational Resources Information Center

Collie, Louise; Willis, Felicity; Paine, Crystal; Windsor, Corina

2007-01-01

The "Working Together for Children: Strengthening Transition Pathways" Team has identified that there is a gap between the Early Childhood settings and schools within the Dubbo area. Through meetings with early childhood professionals within Dubbo the authors have identified that the current landscape of care and education within their community…

Educational Predictors for Postsecondary Living Status

ERIC Educational Resources Information Center

Cain, Irina

2017-01-01

This study was performed as the result of gaps in the literature in the area of transition to independent living (IL) using secondary data from the National Longitudinal Transition Study 2 (NLTS-2). Its findings identify individual, skills, family, and school factors that predict postsecondary living status and moderators of the relationships…

Bifurcation Gaps in Asymmetric and High-Dimensional Hypercycles

NASA Astrophysics Data System (ADS)

Puig, Júlia; Farré, Gerard; Guillamon, Antoni; Fontich, Ernest; Sardanyés, Josep

Hypercycles are catalytic systems with cyclic architecture. These systems have been suggested to play a key role in the maintenance and increase of information in prebiotic replicators. It is known that for a large enough number of hypercycle species (n > 4) the coexistence of all hypercycle members is governed by a stable periodic orbit. Previous research has characterized saddle-node (s-n) bifurcations involving abrupt transitions from stable hypercycles to extinction of all hypercycle members, or, alternatively, involving the outcompetition of the hypercycle by so-called mutant sequences or parasites. Recently, the presence of a bifurcation gap between a s-n bifurcation of periodic orbits and a s-n of fixed points has been described for symmetric five-member hypercycles. This gap was found between the value of the replication quality factor Q from which the periodic orbit vanishes (QPO) and the value where two unstable (nonzero) equilibrium points collide (QSS). Here, we explore the persistence of this gap considering asymmetries in replication rates in five-member hypercycles as well as considering symmetric, larger hypercycles. Our results indicate that both the asymmetry in Malthusian replication constants and the increase in hypercycle members enlarge the size of this gap. The implications of this phenomenon are discussed in the context of delayed transitions associated to the so-called saddle remnants.

Homogeneous dielectric barrier discharges in atmospheric air and its influencing factor

NASA Astrophysics Data System (ADS)

Ran, Junxia; Li, Caixia; Ma, Dong; Luo, Haiyun; Li, Xiaowei

2018-03-01

The stable homogeneous dielectric barrier discharge (DBD) is obtained in atmospheric 2-3 mm air gap. It is generated using center frequency 1 kHz high voltage power supply between two plane parallel electrodes with specific alumina ceramic plates as the dielectric barriers. The discharge characteristics are studied by a measurement of its electrical discharge parameters and observation of its light emission phenomena. The results show that a large single current pulse of about 200 μs duration appearing in each voltage pulse, and its light emission is radially homogeneous and covers the entire surface of the two electrodes. The homogeneous discharge generated is a Townsend discharge during discharge. The influences of applied barrier, its thickness, and surface roughness on the transition of discharge modes are studied. The results show that it is difficult to produce a homogeneous discharge using smooth plates or alumina plate surface roughness Ra < 100 nm even at a 1 mm air gap. If the alumina plate is too thin, the discharge also transits to filamentary discharge. If it is too thick, the discharge is too weak to observe. With the increase of air gap distance and applied voltage, the discharge can also transit from a homogeneous mode to a filamentary mode. In order to generate stable and homogeneous DBD at a larger air gap, proper dielectric material, dielectric thickness, and dielectric surface roughness should be used, and proper applied voltage amplitude and frequency should also be used.

Laser induced optical bleaching in Ge{sub 12}Sb{sub 25}S{sub 63} chalcogenide thin film

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

Naik, Ramakanta, E-mail: ramakanta.naik@gmail.com; Jena, S.; Sahoo, N. K.

2015-06-24

Photo induced effects of Ge{sub 12}Sb{sub 25}S{sub 63} films illuminated with 532 nm laser light is investigated from transmission spectra measured by FTIR spectroscopy. The material exhibit photo bleaching (PB) when exposed to band gap laser for a prolonged time in vacuum. The PB is ascribed to structural changes inside the film as well as surface photo oxidation. The amorphous nature of thin films was detected by X-ray diffraction. The chemical composition of the deposited thin films was examined by Energy Dispersive X-ray Analysis (EDAX). The refractive indices of the films were obtained from the transmission spectra based on inverse synthesismore » method, and the optical band gaps were derived from optical absorption spectra using the Tauc plot. The dispersion of the refractive index is discussed in terms of the single-oscillator Wemple–DiDomenico model. It was found that, the mechanism of the optical absorption follows the rule of the allowed non-direct transition. Raman spectra analysis also supports the optical changes.« less

Synthesis, spectral, thermal and optical properties of Schiff-base complexes derived from 2(E)-2-((z)-4-hydroxypent-3-en-2-ylideneamino)-5-guanidinopentanoic acid and acetylacetone

NASA Astrophysics Data System (ADS)

Hosny, Nasser Mohammed; Hussien, Mostafa A.; Radwan, Fatima M.; Nawar, Nagwa

2017-09-01

New metal complexes derived from the in situ reaction of Cu(II), Co(II), Ni(II) and Zn(II) acetates with the Schiff-base ligand (H2L) resulted from the condensation of 2-amino-5-guanidinopentanoic acid (arginine) and acetylacetone have been synthesized. The resulting complexes have been characterized by, elemental analyses, ES-MS, IR, Raman spectra, UV-Vis., 1HNMR, ESR, thermal analyses (TGA and DTG) and magnetic measurements. The results showed that, The Schiff-base ligand acts as bi-negative tridentate coordinating via azomethine nitrogen, enolic carbonyl oxygen and carboxylate oxygen after displacement of hydrogen. The thermodynamic parameters E∗, ΔH, ΔG and ΔS of the isolated complexes have been calculated. The optical band gap (Eg) values of Cu, Co, Ni and Zn were found to be 3.3, 3.4, 3.7 and 4.3 eV, respectively, arising from direct transitions. Optical band gap measurements indicate the semi-conductivity nature of these complexes.

Frequency dependent dielectric properties of combustion synthesized Dy2Ti2O7 pyrochlore oxide

NASA Astrophysics Data System (ADS)

Jeyasingh, T.; Saji, S. K.; Kavitha, V. T.; Wariar, P. R. S.

2018-05-01

Nanocrystalline pyrochlore material Dysprosium Titanate (Dy2Ti2O7) has been synthesized through a single step optimized combustion route. The phase purity and phase formation of the combustion product has been characterized using X-Ray diffraction analysis (XRD) and Fourier Transform Infrared Spectroscopy (FT-IR) analysis. X-Ray diffraction analysis (XRD) reveal that Dy2Ti2O7 is highly crystalline in nature with cubic structure in the Fd3m space group. The microstructures and average particle size of the prepared nanopowder were examined by High Resolution Transmission Electron Microscopy (HR-TEM). The optical band gap of the Dy2Ti2O7 nanoparticles is determined from the absorption spectrum, was attributed to direct allowed transitions through optical band gap of 3.98 eV. The frequency dependent dielectric measurements have been carried out on the sintered pellet in the frequency range 1 Hz-10 MHz. The measured value of dielectric constant (ℇ') was ˜ 43 and loss tangent (tan δ) was 4×10-3 at 1 MHz, at room temperature.

Properties of the exotic metastable ST12 germanium allotrope

PubMed Central

Zhao, Zhisheng; Zhang, Haidong; Kim, Duck Young; Hu, Wentao; Bullock, Emma S.; Strobel, Timothy A.

2017-01-01

The optical and electronic properties of semiconducting materials are of great importance to a vast range of contemporary technologies. Diamond-cubic germanium is a well-known semiconductor, although other ‘exotic' forms may possess distinct properties. In particular, there is currently no consensus for the band gap and electronic structure of ST12-Ge (tP12, P43212) due to experimental limitations in sample preparation and varying theoretical predictions. Here we report clear experimental and theoretical evidence for the intrinsic properties of ST12-Ge, including the first optical measurements on bulk samples. Phase-pure bulk samples of ST12-Ge were synthesized, and the structure and purity were verified using powder X-ray diffraction, transmission electron microscopy, Raman and wavelength/energy dispersive X-ray spectroscopy. Optical measurements indicate that ST12-Ge is a semiconductor with an indirect band gap of 0.59 eV and a direct optical transition at 0.74 eV, which is in good agreement with electrical transport measurements and our first-principles calculations. PMID:28045027

229Thorium-doped calcium fluoride for nuclear laser spectroscopy.

PubMed

Dessovic, P; Mohn, P; Jackson, R A; Winkler, G; Schreitl, M; Kazakov, G; Schumm, T

2014-03-12

The (229)thorium isotope presents an extremely low-energy isomer state of the nucleus which is expected around 7.8 eV, in the vacuum ultraviolet (VUV) regime. This unique system may bridge between atomic and nuclear physics, enabling coherent manipulation and precision spectroscopy of nuclear quantum states using laser light. It has been proposed to implant (229)thorium into VUV transparent crystal matrices to facilitate laser spectroscopy and possibly realize a solid-state nuclear clock. In this work, we validate the feasibility of this approach by computer modelling of thorium doping into calcium fluoride single crystals. Using atomistic modelling and full electronic structure calculations, we find a persistent large band gap and no additional electronic levels emerging in the middle of the gap due to the presence of the dopant, which should allow direct optical interrogation of the nuclear transition.Based on the electronic structure, we estimate the thorium nuclear quantum levels within the solid-state environment. Precision laser spectroscopy of these levels will allow the study of a broad range of crystal field effects, transferring Mössbauer spectroscopy into the optical regime.

Polymorph engineering of CuMO2 (M = Al, Ga, Sc, Y) semiconductors for solar energy applications: from delafossite to wurtzite

PubMed Central

Scanlon, David O.; Walsh, Aron

2015-01-01

The cuprous oxide based ternary delafossite semiconductors have been well studied in the context of p-type transparent conducting oxides. CuAlO2, CuGaO2 and CuInO2 represent a homologous series where the electronic properties can be tuned over a large range. The optical transparency of these materials has been associated with dipole forbidden transitions, which are related to the linear O—Cu—O coordination motif. The recent demonstration that these materials can be synthesized in tetrahedral structures (wurtzite analogues of the chalcopyrite lattice) opens up a new vista of applications. We investigate the underlying structure–property relationships (for Group 3 and 13 metals), from the perspective of first-principles materials modelling, towards developing earth-abundant photoactive metal oxides. All materials studied possess indirect fundamental band gaps ranging from 1 to 2 eV, which are smaller than their delafossite counterparts, although in all cases the difference between direct and indirect band gaps is less than 0.03 eV. PMID:26634726

Polymorph engineering of CuMO2 (M = Al, Ga, Sc, Y) semiconductors for solar energy applications: from delafossite to wurtzite.

PubMed

Scanlon, David O; Walsh, Aron

2015-12-01

The cuprous oxide based ternary delafossite semiconductors have been well studied in the context of p-type transparent conducting oxides. CuAlO2, CuGaO2 and CuInO2 represent a homologous series where the electronic properties can be tuned over a large range. The optical transparency of these materials has been associated with dipole forbidden transitions, which are related to the linear O-Cu-O coordination motif. The recent demonstration that these materials can be synthesized in tetrahedral structures (wurtzite analogues of the chalcopyrite lattice) opens up a new vista of applications. We investigate the underlying structure-property relationships (for Group 3 and 13 metals), from the perspective of first-principles materials modelling, towards developing earth-abundant photoactive metal oxides. All materials studied possess indirect fundamental band gaps ranging from 1 to 2 eV, which are smaller than their delafossite counterparts, although in all cases the difference between direct and indirect band gaps is less than 0.03 eV.

Properties of the exotic metastable ST12 germanium allotrope

DOE PAGES

Zhao, Zhisheng; Zhang, Haidong; Kim, Duck Young; ...

2017-01-03

The optical and electronic properties of semiconducting materials are of great importance to a vast range of contemporary technologies. Diamond-cubic germanium is a well-known semiconductor, although other ‘exotic’ forms may possess distinct properties. In particular, there is currently no consensus for the band gap and electronic structure of ST12-Ge (tP12, P4 32 12) due to experimental limitations in sample preparation and varying theoretical predictions. Here we report clear experimental and theoretical evidence for the intrinsic properties of ST12-Ge, including the first optical measurements on bulk samples. Phase-pure bulk samples of ST12-Ge were synthesized, and the structure and purity were verifiedmore » using powder X-ray diffraction, transmission electron microscopy, Raman and wavelength/energy dispersive X-ray spectroscopy. Lastly, optical measurements indicate that ST12-Ge is a semiconductor with an indirect band gap of 0.59 eV and a direct optical transition at 0.74 eV, which is in good agreement with electrical transport measurements and our first-principles calculations.« less

Development of graphene oxide materials with controllably modified optical properties

NASA Astrophysics Data System (ADS)

Naumov, Anton; Galande, Charudatta; Mohite, Aditya; Ajayan, Pulickel; Weisman, R. Bruce

2015-03-01

One of the major current goals in graphene research is modifying its optical and electronic properties through controllable generation of band gaps. To achieve this, we have studied the changes in optical properties of reduced graphene oxide (RGO) in water suspension upon the exposure to ozone. Ozonation for the periods of 5 to 35 minutes has caused a dramatic bleaching of its absorption and the concurrent appearance of strong visible fluorescence in previously nonemissive samples. These observed spectral changes suggest a functionalization-induced band gap opening. The sample fluorescence induced by ozonation was found to be highly pH-dependent: sharp and structured emission features resembling the spectra of molecular fluorophores were present at basic pH values, but this emission reversibly broadened and red-shifted in acidic conditions. These findings are consistent with excited state protonation of the emitting species in acidic media. Oxygen-containing addends resulting from the ozonation were detected by XPS and FTIR spectroscopy and related to optical transitions in localized graphene oxide fluorophores by computational modeling. Further research will be directed toward producing graphene-based optoelectronic devices with tailored and controllable optical properties.

The gender gap in alcohol consumption during late adolescence and young adulthood: gendered attitudes and adult roles.

PubMed

Christie-Mizell, C André; Peralta, Robert L

2009-12-01

We utilize data from the National Longitudinal Survey of Youth young adult sample (N = 1,488) to investigate whether gender role attitudes and the occupation of and transition to three adult roles (i.e., employment, marriage, and parenthood) contribute to the maintenance of the gender gap in the frequency and quantity of alcohol use. Our results indicate that traditional gender role attitudes are related to less frequent drinking for both men and women, but role attitudes are not associated with the number of drinks consumed. We also find that employment and transitions to employment increase the frequency and quantity of drinking, but less so for women compared to men. Furthermore, marriage, parenthood, and transitions to parenthood are related to less frequent drinking for women only. In terms of the number of drinks consumed, only employment and transitions to employment distinguish men and women. Employment is related to increased quantity of drinking for men, but decreased drinking for women, while transitions to employment have no effect on men, but do decrease the amount of drinking for women. Marriage decreases the number of drinks consumed equally for both men and women.

Pressure dependence of transverse acoustic phonon energy in ferropericlase across the spin transition.

PubMed

Fukui, Hiroshi; Baron, Alfred Q R; Ishikawa, Daisuke; Uchiyama, Hiroshi; Ohishi, Yasuo; Tsuchiya, Taku; Kobayashi, Hisao; Matsuzaki, Takuya; Yoshino, Takashi; Katsura, Tomoo

2017-06-21

We investigated transverse acoustic (TA) phonons in iron-bearing magnesium oxide (ferropericlase) up to 56 GPa using inelastic x-ray scattering (IXS). The results show that the energy of the TA phonon far from the Brillouin zone center suddenly increases with increasing pressure above the spin transition pressure of ferropericlase. Ab initio calculations revealed that the TA phonon energy far from the Brillouin zone center is higher in the low-spin state than in the high spin state; that the TA phonon energy depend weakly on pressure; and that the energy gap between the TA and the lowest-energy-optic phonons is much narrower in the low-spin state than in the high-spin state. This allows us to conclude that the anomalous behavior of the TA mode in the present experiments is the result of gap narrowing due to the spin transition and explains contradictory results in previous experimental studies.

From egg to gastrula: How the cell cycle is remodeled during the Drosophila mid-blastula transition

PubMed Central

Farrell, Jeffrey A.; O’Farrell, Patrick H.

2015-01-01

Many, if not most, embryos begin development with extremely short cell cycles that exhibit unusually rapid DNA replication and no gap phases. The commitment to the cell cycle in the early embryo appears to preclude many other cellular processes which only emerge as the cell cycle slows, at a major embryonic transition known as the mid-blastula transition (MBT) just prior to gastrulation. As reviewed here, genetic and molecular studies in Drosophila have identified changes that extend S phase and introduce a post-replicative gap phase, G2, to slow the cell cycle. While many mysteries remain about the upstream regulators of these changes, we review the core mechanisms of the change in cell cycle regulation and discuss advances in our understanding of how these might be timed and triggered. Finally, we consider how the elements of this program may be conserved or changed in other organisms. PMID:25195504

E+ Transition in GaAs1-xNx and GaAs1-xBix Due to Isoelectronic-Impurity-Induced Perturbation of the Conduction Band

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

Fluegel, B.; Mascarenhas, A.; Ptak, A. J.

2007-01-01

An above-band-gap transition E{sub +} is experimentally observed in the dilute GaAs{sub 1-x}Bi{sub x} alloy. Precise measurements at very low dilutions are made of the above-band-gap transition E{sub +} that is observed in GaAs{sub 1-x}N{sub x}, making it possible to compare the behavior of the different isoelectronic traps Bi and N in the common host GaAs with respect to their perturbation to the host electronic structure. We suggest that the origin of the E{sub +} level observed in GaAs is not the isolated isoelectronic impurity level N{sub x}, as is presumed in the band-anticrossing model, but rather the isoelectronic-impurity-induced perturbationmore » of the conduction band L{sub 6}{sup c}.« less

Transmission, reflection and thermoluminescence studies on GaS{sub 0.75}Se{sub 0.25} layered single crystals

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

Delice, S., E-mail: sdelice@metu.edu.tr; Isik, M.; Gasanly, N.M.

2015-10-15

Highlights: • Optical and thermoluminescence properties of Ga{sub 4}S{sub 3}Se crystals were investigated. • Indirect and direct band gap energies were found as 2.39 and 2.53 eV, respectively. • The activation energy of the trap center was determined as 495 meV. - Abstract: Optical and thermoluminescence properties on GaS{sub 0.75}Se{sub 0.25} crystals were investigated in the present work. Transmission and reflection measurements were performed at room temperature in the wavelength range of 400–1000 nm. Analysis revealed the presence of indirect and direct transitions with band gap energies of 2.39 and 2.53 eV, respectively. TL spectra obtained at low temperatures (10–300more » K) exhibited one peak having maximum temperature of 168 K. Observed peak was analyzed using curve fitting, initial rise and peak shape methods to calculate the activation energy of the associated trap center. All applied methods were consistent with the value of 495 meV. Attempt-to-escape-frequency and capture cross section of the trap center were determined using the results of curve fitting. Heating rate dependence studies of the glow curve in the range of 0.4–0.8 K/s resulted with decrease of TL intensity and shift of the peak maximum temperature to higher values.« less

In-plane, commensurate GaN/AlN junctions: single-layer composite structures, multiple quantum wells and quantum dots

NASA Astrophysics Data System (ADS)

Durgun, Engin; Onen, Abdullatif; Kecik, Deniz; Ciraci, Salim

In-plane composite structures constructed of the stripes or core/shells of single-layer GaN and AlN, which are joined commensurately display diversity of electronic properties, that can be tuned by the size of their constituents. In heterostructures, the dimensionality of electrons change from 2D to 1D upon their confinements in wide constituent stripes leading to the type-I band alignment and hence multiple quantum well structure in the direct space. The δ-doping of one wide stripe by other narrow stripe results in local narrowing or widening of the band gap. The direct-indirect transition of the fundamental band gap of composite structures can be attained depending on the odd or even values of formula unit in the armchair edged heterojunction. In a patterned array of GaN/AlN core/shells, the dimensionality of the electronic states are reduced from 2D to 0D forming multiple quantum dots in large GaN-cores, while 2D electrons propagate in multiply connected AlN shell as if they are in a supercrystal. These predictions are obtained from first-principles calculations based on density functional theory on single-layer GaN and AlN compound semiconductors which were synthesized recently. This work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No 115F088.

Electron spin relaxation in a transition-metal dichalcogenide quantum dot

NASA Astrophysics Data System (ADS)

Pearce, Alexander J.; Burkard, Guido

2017-06-01

We study the relaxation of a single electron spin in a circular quantum dot in a transition-metal dichalcogenide monolayer defined by electrostatic gating. Transition-metal dichalcogenides provide an interesting and promising arena for quantum dot nano-structures due to the combination of a band gap, spin-valley physics and strong spin-orbit coupling. First we will discuss which bound state solutions in different B-field regimes can be used as the basis for qubits states. We find that at low B-fields combined spin-valley Kramers qubits to be suitable, while at large magnetic fields pure spin or valley qubits can be envisioned. Then we present a discussion of the relaxation of a single electron spin mediated by electron-phonon interaction via various different relaxation channels. In the low B-field regime we consider the spin-valley Kramers qubits and include impurity mediated valley mixing which will arise in disordered quantum dots. Rashba spin-orbit admixture mechanisms allow for relaxation by in-plane phonons either via the deformation potential or by piezoelectric coupling, additionally direct spin-phonon mechanisms involving out-of-plane phonons give rise to relaxation. We find that the relaxation rates scale as \\propto B 6 for both in-plane phonons coupling via deformation potential and the piezoelectric effect, while relaxation due to the direct spin-phonon coupling scales independant to B-field to lowest order but depends strongly on device mechanical tension. We will also discuss the relaxation mechanisms for pure spin or valley qubits formed in the large B-field regime.

Polarized Light Imaging of the HD 142527 Transition Disk with the Gemini Planet Imager: Dust around the Close-in Companion

NASA Astrophysics Data System (ADS)

Rodigas, Timothy J.; Follette, Katherine B.; Weinberger, Alycia; Close, Laird; Hines, Dean C.

2014-08-01

When giant planets form, they grow by accreting gas and dust. HD 142527 is a young star that offers a scaled-up view of this process. It has a broad, asymmetric ring of gas and dust beyond ~100 AU and a wide inner gap. Within the gap, a low-mass stellar companion orbits the primary star at just ~12 AU, and both the primary and secondary are accreting gas. In an attempt to directly detect the dusty counterpart to this accreted gas, we have observed HD 142527 with the Gemini Planet Imager in polarized light at Y band (0.95-1.14 μm). We clearly detect the companion in total intensity and show that its position and photometry are generally consistent with the expected values. We also detect a point source in polarized light that may be spatially separated by ~ a few AU from the location of the companion in total intensity. This suggests that dust is likely falling onto or orbiting the companion. Given the possible contribution of scattered light from this dust to previously reported photometry of the companion, the current mass limits should be viewed as upper limits only. If the dust near the companion is eventually confirmed to be spatially separated, this system would resemble a scaled-up version of the young planetary system inside the gap of the transition disk around LkCa 15. Based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministrio da Cincia, Tecnologia e Inovao (Brazil), and Ministerio de Ciencia, Tecnologa e Innovacin Productiva (Argentina).

Origin of and tuning the optical and fundamental band gaps in transparent conducting oxides: The case of M2O3(M =Al ,Ga ,In )

NASA Astrophysics Data System (ADS)

Sabino, Fernando P.; Besse, Rafael; Oliveira, Luiz Nunes; Wei, Su-Huai; Da Silva, Juarez L. F.

2015-11-01

Good transparent conducting oxides (TCOs), such as In2O3 :Sn (ITO), usually combine large optical band gaps, essential for high transparency, with relatively small fundamental band gaps due to low conduction-band minima, which favor n -type doping and enhance the electrical conductivity. It has been understood that the optical band gaps are wider than the fundamental band gaps because optical transitions between the band-edge states are forbidden. The mechanism blocking such transitions, which can play a crucial role in the designing of alternative TCOs, nonetheless remains obscure. Here, based on first-principles density functional theory calculations and symmetry analysis of three oxides, M2O3 (M =Al ,Ga ,In ), we identify the physical origin of the gap disparities. Three conditions are necessary: (1) the crystal structure must have global inversion symmetry; (2) in order to belong to the Ag or A1 g irreducible representations, the states at the conduction-band minimum must have cation and oxygen s character; (3) in order to have g parity, the oxygen p orbitals constituting the states near the valence-band maximum must be strongly coupled to the cation d orbitals. Under these conditions, optical excitations across the fundamental gap will be forbidden. The three criteria explain the trends in the M2O3 (M =Al,Ga,In) sequence, in particular, explaining why In2O3 in the bixbyite structure yields the highest figure of merit. Our study provides guidelines expected to be instrumental in the search for new TCO materials.