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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Hopping conduction in p-type MoS{sub 2} near the critical regime of the metal-insulator transition

We report on temperature-dependent charge and magneto transport of chemically doped MoS{sub 2}, p-type molybdenum disulfide degenerately doped with niobium (MoS{sub 2}:Nb). The temperature dependence of the electrical resistivity is characterized by a power law, ρ(T) ∼ T{sup −0.25}, which indicates that the system resides within the critical regime of the metal-insulator (M-I) transition. By applying high magnetic field (∼7 T), we observed a 20% increase in the resistivity at 2 K. The positive magnetoresistance shows that charge transport in this system is governed by the Mott-like three-dimensional variable range hopping (VRH) at low temperatures. According to relationship between magnetic-field and temperature dependencies of VRH resistivity, we extracted a characteristic localization length of 19.8 nm for MoS{sub 2}:Nb on the insulating side of the M-I transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Gray and multigroup radiation transport models for two-dimensional binary stochastic media using effective opacities

One-dimensional models for the transport of radiation through binary stochastic media do not work in multi-dimensions. In addition, authors have attempted to modify or extend the 1D models to work in multidimensions without success. Analytic one-dimensional models are successful in 1D only when assuming greatly simplified physics. State of the art theories for stochastic media radiation transport do not address multi-dimensions and temperature-dependent physics coefficients. Here, the concept of effective opacities and effective heat capacities is found to well represent the ensemble averaged transport solutions in cases with gray or multigroup temperature-dependent opacities and constant or temperature-dependent heat capacities. In every case analyzed here, effective physics coefficients fit the transport solutions over a useful range of parameter space. The transport equation is solved with the spherical harmonics method with angle orders of n=1 and 5. Although the details depend on what order of solution is used, the general results are similar, independent of angular order.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Mechanism of Ti/Al/Ti/W Au-free ohmic contacts to AlGaN/GaN heterostructures via pre-ohmic recess etching and low temperature annealing

The physical mechanism of low-thermal-budget Au-free ohmic contacts to AlGaN/GaN heterostructures is systematically investigated with current-voltage, high-resolution transmission electron microscopy, and temperature-dependent contact resistivity characterizations. With a low annealing temperature of 600 °C, pre-ohmic recess etching of the AlGaN barrier down to several nanometers is demonstrated to be an effective method to reduce the contact resistance between Ti/Al/Ti/W ohmic metals and AlGaN/GaN heterostructures. However, further over recess of the AlGaN barrier leads to only sidewall contact to 2D electron gas channel and thus degraded contact performance. It is verified by temperature-dependent contact resistivity measurements that field emission (tunneling) dominates the current transport mechanism in Au-free ohmic contacts with AlGaN barrier partially and over recessed, while both field emission and thermionic emission contribute to traditional Ti/Al/Ni/Au ohmic contacts to AlGaN/GaN heterostructures that annealed at high temperature (850 °C)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Suppression of ferromagnetic spin fluctuations in the filled skutterudite superconductor SrOs 4 As 12 revealed by As 75 NMR-NQR measurements

Motivated by the recent observation of ferromagnetic spin correlations in the filled skutterudite SrFe 4 As 12 [Q.-P. Ding et al., Phys. Rev. B 98, 155149 (2018)], we have performed 75 As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements to investigate the role of magnetic fluctuations in the newly discovered isostructural superconductor SrOs 4 As 12 with a superconducting transition temperature of T c ~ 4.8 K. Here, knight shift K determined by the NQR spectrum under a small magnetic field ( ≤ 0.5 T) is nearly independent of temperature, consistent with the temperature dependence of the magnetic susceptibility. The nuclear spin-lattice relaxation rate divided by temperature, 1/T 1 T, is nearly independent of temperature above ~ 50 K and increases slightly with decreasing temperature below the temperature. The temperature dependence is reasonably explained by a simple model where a flat band structure with a small ledge near the Fermi energy is assumed. By comparing the present NMR data with those in SrFe 4 As 12 , we found that the values of | K | and 1/T 1 T in SrFe 4 As 12 are smaller than those in SrFe 4 As 12 , indicating no obvious ferromagnetic spin correlations in SrFe 4 As 12 . From the temperature dependence of 1/T 1 T in the superconducting state, an s -wave superconductivity is realized.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of low-energy electron irradiation on the optical properties of structures containing multiple InGaN/GaN quantum well

Data on the temperature dependence of the cathodoluminescence intensity in multiple InGaN/GaN quantum-well structures in the temperature range 80–300 K are reported. Unirradiated structures and structures irradiated with electrons with subthreshold energy are studied. It is shown that, upon irradiation, the temperature dependence becomes weaker. From analysis of the results obtained in this study and previously, it can be suggested that electron irradiation initiates the relaxation of strains produced in quantum wells due to the InGaN-GaN lattice mismatch.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Investigation of Fe:ZnSe laser in pulsed and repetitively pulsed regimes

The characteristics of a Fe:ZnSe laser pumped by a single-pulse free-running Er : YAG laser and a repetitively pulsed HF laser are presented. An output energy of 4.9 J is achieved in the case of liquid-nitrogen cooling of the Fe{sup 2+}:ZnSe active laser element longitudinally pumped by an Er:YAG laser with a pulse duration of 1 ms and an energy up to 15 J. The laser efficiency with respect to the absorbed energy is 47%. The output pulse energy at room temperature is 53 mJ. The decrease in the output energy is explained by a strong temperature dependence of the upper laser level lifetime and by pulsed heating of the active element. The temperature dependence of the upper laser level lifetime is used to determine the pump parameters needed to achieve high pulse energies at room temperature. Stable repetitively-pulsed operation of the Fe{sup 2+}:ZnSe laser at room temperature with an average power of 2.4 W and a maximum pulse energy of 14 mJ is achieved upon pumping by a 1-s train of 100-ns HF laser pulses with a repetition rate of 200 Hz. (lasers)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Соllective Fluorescence of Composite Nanoparticles

Fluorescence of a suspension of spherical nanoparticles consisting of a gold core surrounded by silicon dioxide doped with fluorescein molecules is experimentally studied. The model of a composite nanoparticle is investigated theoretically and experimentally, taking into account polarization fluctuations. It is shown that a local nonlinear feedback in the system leads to characteristic temperature dependences of the fluorescence linewidth and intensity. As the medium was cooled from room temperature to liquid nitrogen temperature, the fluorescence spectrum narrowed and its intensity strongly increased. A comparison of experimental data with numerical calculations showed that the changes observed in experiments are not explained by the temperature dependence of the parameters of elements of a nanoparticle. The analysis of the dynamics of polarization phases of dye molecules showed that the synergetic effect should be taken into account, which forms the basis of plasmon–polariton superradiance.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Weak antilocalization and conductance fluctuation in a single crystalline Bi nanowire

We present the low temperature transport properties of an individual single-crystalline Bi nanowire grown by the on-film formation of nanowire method. The temperature dependent resistance and magnetoresistance of Bi nanowires were investigated. The phase coherence length was obtained from the fluctuation pattern of the magnetoresistance below 40 K using universal conductance fluctuation theory. The obtained temperature dependence of phase coherence length and the fluctuation amplitude indicates that the transport of electrons shows 2-dimensional characteristics originating from the surface states. The temperature dependence of the coherence length derived from the weak antilocalization effect using the Hikami–Larkin–Nagaoka model is consistent with that from the universal conductance fluctuations theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Temperature induced modification of the mid-infrared response of single-walled carbon nanotubes

The temperature dependences of the absorbance spectra of thin free-standing single-walled carbon nanotube (SWCNT) films were studied in the infrared range (700–6200 cm{sup −1}) while heating the air from 300 to 575 K. The observed temperature variation in the infrared absorbance spectra has been explained by two different physical factors. The first one is the strong temperature dependence of the conductivity of p-type doped semiconducting SWCNTs. The second one is the temperature dependence of electron relaxation time of intraband electron transitions in metallic SWCNTs. The possibility of the separation of contributions from the interband and intraband transitions to the infrared spectra of SWCNT films has been demonstrated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Optical properties of InGaPN epilayer with low nitrogen content grown by molecular beam epitaxy

The effect of nitrogen concentration on the optical properties of InGaP(N) epilayer was investigated. The temperature dependence of the photoluminescence (PL) peak energy of InGaPN (N = 1%) epilayer around room temperature was found to be almost one-half of that of InGaP epilayer. The incorporation of N causes the reduction of the coupling constant for the electron-phonon interaction, leading to the reduced temperature dependence of the PL peak shift. Thermal activation energy, which is deduced from the Arrhenius plot of PL intensity, was decreased by N incorporation. The reduced PL quenching is discussed in terms of the changes in the band alignment at the InGaPN/GaAs heterointerface by the increase in the N concentration.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The effect of molecular mobility on electronic transport in carbon nanotube-polymer composites and networks

A multiscale modeling approach to the prediction of electrical conductivity in carbon nanotube (CNT)–polymer composite materials is developed, which takes into account thermally activated molecular mobility of the matrix and the CNTs. On molecular level, a tight-binding density functional theory and non-equilibrium Green's function method are used to calculate the static electron transmission function in the contact between two metallic carbon nanotubes that corresponds to electron transport at 0 K. For higher temperatures, the statistical distribution of effective contact resistances is considered that originates from thermal fluctuations of intermolecular distances caused by molecular mobility of carbon nanotube and the polymer matrix. Based on this distribution and using effective medium theory, the temperature dependence of macroscopic electrical resistivity for CNT-polymer composites and CNT mats is calculated. The predicted data indicate that the electrical conductivity of the CNT-polymer composites increases linearly with temperature above 50 K, which is in a quantitative agreement with the experiments. Our model predicts a slight nonlinearity in temperature dependence of electric conductivity at low temperatures for percolated composites with small CNT loading. The model also explains the effect of glass transition and other molecular relaxation processes in the polymer matrix on the composite electrical conductivity. The developed multiscale approach integrates the atomistic charge transport mechanisms in percolated CNT-polymer composites with the macroscopic response and thus enables direct comparison of the prediction with the measurements of macroscopic material properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Structural and magnetic study of Yb{sup 3+} in the perovskites Sr{sub 2}YbMO{sub 6} (M=Nb, Ta, Sb)

The compounds Sr{sub 2}YbNbO{sub 6}, Sr{sub 2}YbTaO{sub 6} and Sr{sub 2}YbSbO{sub 6} have been prepared using solid state methods by heating pelleted reagents in air at temperatures up to 1400 °C. Rietveld refinement against room temperature neutron powder diffraction data show that all three compounds crystallise with a cation-ordered variant of the perovskite structure in the P2{sub 1}/n space group. Complete cation ordering occurs between M{sup 5+} and Yb{sup 3+} over two octahedrally-coordinated sites in the structure and all compounds are stoichiometric in oxygen. The Sb–O bond lengths are similar to related perovskite compounds but differ slightly from those indicated by bond valence sums. Magnetic susceptibility data resemble Curie–Weiss paramagnetic behaviour, but can be better understood as arising from the effect of the octahedral crystal field on the {sup 2}F{sub 5/2} ground state of Yb{sup 3+} leading to a temperature dependent magnetic moment on this ion below 100 K. - Graphical abstract: The magnetic susceptibility of the face-centred cubic Yb{sup 3+} lattice is dominated by the temperature dependent single-ion moment below 100 K. - Highlights: • Cation-ordered perovskites are studied using neutron diffraction and magnetometry. • Yb{sup 3+} cations form a pseudo face centred cubic lattice in a distorted structure. • Sb{sup 5+} cation is slightly overbonded as observed in related perovskites. • Crystal field splitting of 4f{sup 13} Yb{sup 3+} giving a temperature dependent moment. • Magnetic susceptibility reproduces theoretical predictions below 100 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Magnetic Properties of Sm{sub 0.7}Ho{sub 0.3}Fe{sub 3}(BO{sub 3}){sub 4}

The magnetic properties of a ferroborate single crystal of substituted composition Sm{sub 0.7}H{sub 0.3}Fe{sub 3}(BO{sub 3}){sub 4} with competing Sm-Fe and Ho-Fe exchange interactions are studied. The measured properties and effects are interpreted in terms of a general theoretical approach based on the molecular field approximation and calculations using the crystal field model for a rare-earth ion. The experimental temperature dependences of the initial magnetic susceptibility in the temperature range 2-300 K, the anomalies in the magnetization curves for B Double-Vertical-Line c and B Up-Tack c in fields lower than 1.2 T, and the field and temperature dependences of magnetization in fields lower than 9 T are described. The crystal field parameters and the parameters of the R-Fe and Fe-Fe exchange interactions are determined during the interpretation of the experimental data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Characterization of carrier states in CuWO₄ thin-films at elevated temperatures using conductometric analysis

CuWO₄ thin-films were deposited by pulsed laser deposition onto an insulating substrate. The temperature dependence of the electronic conductivity of CuWO₄ thin-films was determined over 100–500 °C temperature range in a synthetic air atmosphere. Additionally, variations of conductivity at 300 °C and 500 °C have been measured for oxygen partial pressures (0.1 atm<p(O₂)<0.9 atm) in nitrogen. The apparent activation energy ΔE{sub a} for the electrical conduction has been estimated. The study of the temperature effect on the electron transport properties of CuWO₄ thin-films reveals the operation of two temperature-dependent oxygen states. The effect of varying oxygen concentration on the electronic properties is discussed in detail. The electrochemical nature of the operating oxygen states for 100–500 °C temperature range is deduced using a physicochemical model that relates electronic conductivity with oxygen partial pressure and temperature. - Graphical abstract: Formation of oxygen states in n-type semiconducting metal-oxides and its effect on the surface electrochemical potential and electron transport. Highlights: • The study of surface species in CuWO₄ thin-films was carried using conductometry. • The determination of the apparent activation energy of conduction with temperature is outlined. • Temperature and O₂ concentration effects on the oxygen states was established. • For the ranges of temperature studied, the identified operating oxygen states were O₂⁻ and O⁻.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

On the behavior of Bi in a CdTe lattice and the compensation effect in CdTe:Bi

CdTe crystals of two types have been grown by the vertical Bridgman method: (i) crystals doped with Bi to {approx}10{sup 18} cm{sup -3} and (ii) double-doped (Bi + Cl) crystals with a Bi concentration of {approx}10{sup 18} cm{sup -3} and a Cl concentration of {approx}10{sup 17} cm{sup -3}. The temperature dependences of the resistivity, photoconductivity, and low-temperature photoluminescence are investigated for the crystals grown. Analysis has shown that doping with Bi (crystals of the first type) leads to compensation of the material. The resistivity of the CdTe:Bi samples at room temperature, depending on the doping level, is varied in the range of 10{sup 5}-10{sup 9} {Omega} cm. The hole concentration is determined by the acceptor level at E{sub v} + 0.4 eV in lightly doped CdTe:Bi samples and by the deep center at E{sub v} + 0.72 eV in heavily doped CdTe:Bi samples. Double doping leads to inversion of the conductivity type and reduces the resistivity to {approx}1 {Omega} cm. Heavily doped CdTe:Bi crystals and double-doped crystals exhibit the presence of acceptors with an ionization energy of 36 meV, which is atypical of CdTe.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Electrostatic contribution from solvent in modulating single-walled carbon nanotube association

We perform all-atom molecular dynamics simulations to compute the potential of mean force (PMF) between two (10,10) single-walled carbon nanotubes solvated in pure nonpolarizable SPC/E and polarizable TIP4P-FQ water, at various temperatures. In general, the reversible work required to bring two nanotubes from a dissociated state (free energy reference) to contact state (free energy minimum) is more favorable and less temperature-dependent in TIP4P-FQ than in SPC/E water models. In contrast, molecular properties and behavior of water such as the spatially-resolved water number density (intertube, intratube, or outer regions), for TIP4P-FQ are more sensitive to temperature than SPC/E. Decomposition of the solvent-induced PMF into different spatial regions suggests that TIP4P-FQ has stronger temperature dependence; the opposing destabilizing/stabilizing contributions from intertube water and more distal water balance each other and suppress the temperature dependence of total association free energy. Further investigation of hydrogen bonding network in intertube water reveals that TIP4P-FQ retains fewer hydrogen bonds than SPC/E, which correlates with the lower water number density in this region. This reduction of hydrogen bonds affects the intertube water dipoles. As the intertube volume decreases, TIP4P-FQ dipole moment approaches the gas phase value; the distribution of dipole magnitude also becomes narrower due to less average polarization/perturbation from other water molecules. Our results imply that the reduction of water under confinement may seem trivial, but underlying effects to structure and free energetics are non-negligible.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

On the Band Structure of Bi 2 Te 3

For p-Bi 2 Te 3 crystals grown by the Czochralski method, the temperature dependences of the conductivity, Hall coefficient, thermoelectric power (α), and transverse Nernst–Ettingshausen coefficient are obtained experimentally in the temperature range 77–450 K. The transmittance spectrum in the range 400–5250 cm -1 is recorded at room temperature. It is shown that, to interpret the temperature dependences of the scattering parameter r and the ratio of the thermoelectric power to temperature (α/T), it is essential to take into account the complex valence-band structure and the contribution of heavy holes to transport phenomena. Estimations of the energy band parameters in the context of the two-band model give a hole effective mass close to the free electron mass and the energy gap between nonequivalent extrema at a level of several hundredths of eV. In the absorption spectrum derived from the transmittance spectrum, a sharp increase in absorption defined by indirect interband transitions with the band gap E g ≈ 0.14 eV is observed in the region of frequencies ν ≥ 1000 cm -1 . The absorption spectrum calculated from the reflectance data using the Kramers–Kronig relations is in agreement with the experimental absorption spectrum.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

P-V-T equation of state of boron carbide

We report the P-V-T equation of state measurements of B 4 C to 50 GPa and approximately 2500 K in laser-heated diamond anvil cells. We obtain an ambient temperature, third-order Birch–Murnaghan fit to the P-V data that yields a bulk modulus K 0 of 221(2) GPa and derivative, (dK/dP) 0 of 3.3(1). These were used in fits with both a Mie–Grüneisen–Debye model and a temperature-dependent, Birch–Murnaghan equation of state that includes thermal pressure estimated by thermal expansion (α) and a temperature-dependent bulk modulus (dK 0 /dT). The ambient pressure thermal expansion coefficient (α 0 + α 1 T), Grüneisen γ(V) = γ 0 (V/V 0 ) q and volume-dependent Debye temperature, were used as input parameters for these fits and found to be sufficient to describe the data in the whole P-T range of this study.

36 MATERIALS SCIENCE↗