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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Fast Exciton Diffusion in Monolayer PtSe2

Recently, 2D noble metal dichalcogenides have drawn considerable attention due to their thickness-tunable electronic and optical properties. However, the dynamical properties of photocarriers in these materials are less studied. In this report photocarrier dynamics in monolayer and bilayer PtSe 2 samples prepared by chemical vapor deposition are studied by transient absorption microscopy. Spatially and temporally resolved differential reflectance measurements yield room-temperature exciton lifetimes of 25 and 50 ps for monolayer and bilayer samples, respectively. The exciton diffusion coefficient in monolayer PtSe 2 is found to be as large as 48 cm 2 s -1 . This value is higher than exciton diffusion coefficients of most known monolayer semiconductors. The deduced exciton mobility is close to the theoretical limit of charge carrier mobility of monolayer PtSe 2 . The superior exciton transport property is unique to monolayers, as the exciton diffusion coefficient drops to 6.7 cm 2 s -1 in bilayers PtSe 2 . The novel exciton transport properties, along with its high air stability, make monolayer PtSe 2 an attractive material for ultrathin excitonic devices. These results provide insights on the exciton dynamic properties of 2D PtSe 2 and help develop fundamental understanding on the performance of various optoelectronic devices based on 2D PtSe 2 . .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Understanding and design of spin-driven thermoelectrics

While progress in thermoelectric materials based on the engineering of electronic and phononic characteristics is reaching a plateau, the addition of the spin degree of freedom has the potential to open a new landscape for alternative thermoelectric materials. Here, we present the concepts, current understanding, and guidelines for designing spin-driven thermoelectrics. We show that the interplay between the spin and heat currents in entropy transport via charge carriers can offer a path to enhance the electronic thermopower. The classical antiferromagnetic semiconductor manganese telluride (MnTe) is chosen as the case study due to its significant spin-mediated thermoelectric properties. We show that, although the spin-disorder scattering reduces the carrier mobility in magnetic materials, spin entropy, magnon, and paramagnon carrier drags can dominate and significantly enhance the thermoelectric power factor, and hence zT. Finally, several guidelines are drawn based on the current understanding for designing high-performance spin-driven thermoelectric materials.

42 ENGINEERING↗
DOE OSTI2020

Topological Singularity Induced Chiral Kohn Anomaly in a Weyl Semimetal

The electron-phonon interaction (EPI) is instrumental in a wide variety of phenomena in solid-state physics, such as electrical resistivity in metals, carrier mobility, optical transition, and polaron effects in semiconductors, lifetime of hot carriers, transition temperature in BCS superconductors, and even spin relaxation in diamond nitrogen-vacancy centers for quantum information processing. However, due to the weak EPI strength, most phenomena have focused on electronic properties rather than on phonon properties. One prominent exception is the Kohn anomaly, where phonon softening can emerge when the phonon wave vector nests the Fermi surface of metals. In this paper, we report a new class of Kohn anomaly in a topological Weyl semimetal (WSM), predicted by field-theoretical calculations, and experimentally observed through inelastic x-ray and neutron scattering on WSM tantalum phosphide. Compared to the conventional Kohn anomaly, the Fermi surface in a WSM exhibits multiple topological singularities of Weyl nodes, leading to a distinct nesting condition with chiral selection, a power-law divergence, and non-negligible dynamical effects. Our work brings the concept of the Kohn anomaly into WSMs and sheds light on elucidating the EPI mechanism in emergent topological materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1983

Advanced methods for preparation and characterization of infrared detector materials

Crystals were prepared by the Bridgman-Stockbarger method with a wide range of crystal growth rates and temperature gradients adequate to prevent constitutional supercooling under diffusion-limited, steady-state, growth conditions. The longitudinal compositional gradients for different growth conditions and alloy compositions were calculated and compared with experimental data to develop a quantitative model of solute redistribution during the crystal growth of the alloys. Measurements were performed to ascertain the effect of growth conditions on radial compositional gradients. The pseudobinary HgTe-CdTe constitutional phase diagram was determined by precision differential-thermal-analysis measurements and used to calculate the segregation coefficient of Cd as a function of x and interface temperature. Experiments were conducted to determine the ternary phase equilibria in selected regions of the Hg-Cd-Te constitutional phase diagram. Electron and hole mobilities as functions of temperature were analyzed to establish charge-carrier scattering probabilities. Computer algorithms specific to Hg(1-x)CdxTe were developed for calculations of the charge-carrier concentration, charge-carrier mobilities, Hall coefficient, and Dermi Fermi energy as functions of x, temperature, ionized donor and acceptor concentrations, and neutral defect concentrations.

Broerman, J. G.↗
NASA NTRS1987

Pseudomorphic InGaAs/AlGaAs modulation-doped FET's with reduced low-frequency noise and thermally stable performance

A high-performance MODFET structure grown by MBE with the incorporation of a single quantum well In(0.15)Ga(0.85)As layer for the transport of two-dimensional electron gas has been critically examined for its thermal stability at 80 K and low-frequency noise form 0.01 to 10 to the 8th Hz. Experimental results indicate that the behavior of this device in both these respects is much superior when compared with the same behavior of conventional MODFETs. A maximum low-field carrier mobility of 29,000 sq cm/s at 80 K and an average carrier saturation velocity of 2 x 10 to the 7th cm/s at 300 K in a 1-micron gate device clearly indicate that the quality of the pseudomorphic quantum well (InGaAs) layer is either comparable or better than that of the usual GaAs buffer layer. The deep level spectra, obtained through photo-FET measurements, and the low-frequency noise spectra at different temperatures obtained for the new pseudomorphic and conventional MODFET's have clearly indicated that contributions from various deep levels present in the new structure are significantly reduced.

Liu, Shih-Ming↗
NASA NTRS2004

High Electron Mobility Transistor Structures on Sapphire Substrates Using CMOS Compatible Processing Techniques

System-on-a-chip (SOC) processes are under intense development for high-speed, high frequency transceiver circuitry. As frequencies, data rates, and circuit complexity increases, the need for substrates that enable high-speed analog operation, low-power digital circuitry, and excellent isolation between devices becomes increasingly critical. SiGe/Si modulation doped field effect transistors (MODFETs) with high carrier mobilities are currently under development to meet the active RF device needs. However, as the substrate normally used is Si, the low-to-modest substrate resistivity causes large losses in the passive elements required for a complete high frequency circuit. These losses are projected to become increasingly troublesome as device frequencies progress to the Ku-band (12 - 18 GHz) and beyond. Sapphire is an excellent substrate for high frequency SOC designs because it supports excellent both active and passive RF device performance, as well as low-power digital operations. We are developing high electron mobility SiGe/Si transistor structures on r-plane sapphire, using either in-situ grown n-MODFET structures or ion-implanted high electron mobility transistor (HEMT) structures. Advantages of the MODFET structures include high electron mobilities at all temperatures (relative to ion-implanted HEMT structures), with mobility continuously improving to cryogenic temperatures. We have measured electron mobilities over 1,200 and 13,000 sq cm/V-sec at room temperature and 0.25 K, respectively in MODFET structures. The electron carrier densities were 1.6 and 1.33 x 10(exp 12)/sq cm at room and liquid helium temperature, respectively, denoting excellent carrier confinement. Using this technique, we have observed electron mobilities as high as 900 sq cm/V-sec at room temperature at a carrier density of 1.3 x 10(exp 12)/sq cm. The temperature dependence of mobility for both the MODFET and HEMT structures provides insights into the mechanisms that allow for enhanced electron mobility as well as the processes that limit mobility, and will be presented.

Mueller, Carl↗
DOE OSTI2021

Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors

Semiconducting polycrystalline thin films are cheap to produce and can be deposited on flexible substrates, yet high-performance electronic devices usually utilize single crystal semiconductors, owing to their superior charge-carrier mobilities and longer diffusion lengths. Here we show that the electrical performance of polycrystalline films of metal-halide perovskites (MHPs) approaches that of single crystals at room temperature. Combining temperature-dependent terahertz conductivity measurements and ab initio calculations we uncover a complete picture of the origins of charge-carrier scattering in single crystals and polycrystalline films of CH 3 NH 3 PbI 3 . We show that Fröhlich scattering of charge carriers with multiple phonon modes is the dominant mechanism limiting mobility, with grain-boundary scattering further reducing mobility in polycrystalline films. We reconcile the large discrepancy in charge-carrier diffusion lengths between single crystals and films by considering photon reabsorption. Thus, polycrystalline films of MHPs offer great promise for devices beyond solar cells, including light-emitting diodes and modulators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

The concept of an integrated terrestrial/land mobile satellite system

Potential satellite markets in the Public Safety (disaster relief, emergency medical and law enforcement) and Common Carrier (mobile radio telephone) service areas are identified. The public mobile telephone segment is then examined to illustrate a methodology for identifying a potential satellite addressable market, including capacity requirements for roughly sizing a satellite. It is postulated that satellites could serve this lower density (mobiles/sq. km), thin-route markets at a competitive cost and thus complement terrestrial systems in the urban and more densely populated areas to provide an integrated nationwide mobile service.

Knouse, G. H.↗
DOE OSTI2022

Unusual electronic transport in (1 - x )Cu 2 Se-( x )CuInSe 2 hierarchical composites

The ability to control the relative density of electronic point defects as well as their energy distribution in semiconductors could afford a systematic modulation of their electronic, optical, and optoelectronic properties. Using a model binary hybrid system Cu 2 Se–CuInSe 2 , we have investigated the correlation between phase composition, microstructure, and electronic transport behavior in the synthesized composites. We found that both Cu 2 Se and CuInSe 2 phases coexist at multiple length scales, ranging from sub-ten nanometer to several micrometers, leading to the formation of a hybrid hierarchical microstructure. Astonishingly, the electronic phase diagram of the (1 - x)Cu 2 Se–(x)CuInSe 2 (15% ≤ x ≤ 100%) hierarchical composites remarkably deviates from the trend normally expected for composites between a heavily doped semiconductor (Cu 2 Se) and a poorly conducting phase (CuInSe 2 ). A sudden 3-fold increase in the electrical conductivity and carrier concentration along with a marginal increase in the carrier mobility is observed for composites at the vicinity of equimolar composition (48% ≤ x ≤ 52%). The carrier concentration increases from ~1.5 × 10 20 cm -3 for the composites with x ≤ 45% to 5.0 × 10 20 cm -3 for x = 50%, and remains constant at 4.5 × 10 20 cm -3 with x value in the range of 52% < x ≤ 90%, then quickly drops to 8 × 10 18 cm -3 for pristine CuInSe 2 phase (x = 100%). The atypical electronic behavior was rationalized in the light of the formation of an inter-band (IB) within the band gap, which arises from the hybridization of native electronic point defects from both Cu 2 Se and CuInSe 2 phases in the resulting hierarchical composites. The result points to a new strategy to modulate the electronic structure of semiconductor composites to maximize interaction and coupling between two fundamentally contrasting properties enabling access to electronic hybrid systems with potential applications as interactive and stimuli-responsive multifunctional materials.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Piezoresistive silicon pressure sensors in cryogenic environment

This paper presents data on low-temperature measurements of silicon pressure sensors. It was found that both the piezoresistance coefficients and the charge-carrier mobility increase with decreasing temperature. For lightly doped semiconductor materials, the density of free charge carriers decreases with temperature and can freeze out eventually. However, the effect of carrier freeze-out can be minimized by increasing the impurity content to higher levels, at which the temperature dependency of piezoresistance coefficients is reduced. An impurity density of 1 x 10 to the 19th/cu cm was found to be optimal for cryogenic applications of pressure sensor dies.

Kahng, Seun K.↗
DOE OSTI2021

Unraveling the Unconventional Order of a High-Mobility Indacenodithiophene-Benzothiadiazole Copolymer

We report a new class of donor–acceptor (D-A) copolymers found to produce high charge carrier mobilities competitive with amorphous silicon (>1 cm 2 V –1 s –1 ) exhibit the puzzling microstructure of substantial local order, however lacking long-range order and crystallinity previously deemed necessary for achieving high mobility. Here, we demonstrate the application of low-dose transmission electron microscopy to image and quantify the nanoscale and mesoscale organization of an archetypal D-A copolymer across areas comparable to electronic devices (≈9 μm 2 ). The local structure is spatially resolved by mapping the backbone (001) spacing reflection, revealing nanocrystallites of aligned polymer chains throughout nearly the entire film. Analysis of the nanoscale structure of its ordered domains suggests significant short- and medium-range order and preferential grain boundary orientations. Moreover, we provide insights into the rich, interconnected mesoscale organization of this new family of D-A copolymers by analysis of the local orientational spatial autocorrelations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Accessing the Spectral Function in a Current-Carrying Device

The presence of an electrical transport current in a material is one of the simplest and most important realizations of nonequilibrium physics. The current density breaks the crystalline symmetry and can give rise to dramatic phenomena, such as sliding charge density waves, insulator-to-metal transitions, or gap openings in topologically protected states. Almost nothing is known about how a current influences the electron spectral function, which characterizes most of the solid’s electronic, optical, and chemical properties. In this work, we show that angle-resolved photoemission spectroscopy with a nanoscale light spot provides not only a wealth of information on local equilibrium properties, but also opens the possibility to access the local nonequilibrium spectral function in the presence of a transport current. Unifying spectroscopic and transport measurements in this way allows simultaneous noninvasive local measurements of the composition, structure, many-body effects, and carrier mobility in the presence of high current densities. In the particular case of our graphene-based device, we are able to correlate the presence of structural defects with locally reduced carrier lifetimes in the spectral function and a locally reduced mobility with a spatial resolution of 500 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Interdigitated electrode geometry variation and external quantum efficiency of GaN/AlGaN-based metal-semiconductor-metal UV photodetectors

Aluminum gallium-nitride (Al x Ga 1–x N)-based metal–semiconductor–metal (MSM) ultraviolet photodetectors photodetectors (PD’s) have been successfully designed and fabricated using conventional photolithography techniques and tested experimentally to study their spectral sensitivity across different Al content, x, with x varying from 0 to 0.3. (Al)GaN-based UV PD’s have wide and tunable direct band gaps. The ability to easily select the photodetected wavelength by simply varying the aluminum content of GaN thin film (Al x Ga 1–x N) is a significant advantage of these group III–V compounds. Typically, MSM PD’s grown on (Al)GaN thin films result in ultrafast photodetection because of their highly mobile carriers. These devices are limited by the carrier transit time due to the negligible capacitance presented by the interdigitated fingers. Various electrode geometries were fabricated to investigate the influence of metal contact shapes on the devices’ performance indices with emphasis on the response speed and bias-voltage–independent efficiency. Here, coupled with the independently measured Hall mobility and electric field, we computed the carrier transit time of the devices to be as short as 1.31 ps and the bias-voltage–independent external quantum efficiencies were as high as 70% at 60 V for n-doped and intrinsic devices when operated in the reverse bias regime. Here, (Al x )Ga 1–x N photodetectors were designed to explore spectral sensitivity by altering x from 0 to 0.3.

42 ENGINEERING↗
DOE OSTI2022

Hydrogen-Bond-Promoted Planar Conformation, Crystallinity, and Charge Transport in Semiconducting Diazaisoindigo Derivatives

Conformational control of π-conjugated molecules using intramolecular noncovalent bonds represents a promising strategy to tailor the solid-state molecular packing and electronic properties of these materials. Here, we report the design and synthesis of two model compounds featuring intramolecular hydrogen bonds formed between a center diazaisoindigo unit (the acceptor) and flanking indole units (the donor). Computational and experimental investigations show that these hydrogen bonds enthalpically stabilize the coplanar molecular conformation by over 10 kcal/mol. The formation of these hydrogen bonds is also slightly favorable in terms of entropy, ensuring high temperature stability of the planar conformation. In this work, thermal annealing of thin films of these compounds imparts high crystallinity and orientation in the solid state, while the non-hydrogen bond control only gave an amorphous solid. Field-effect transistor devices fabricated from these thin films exhibit hole mobilities up to 0.270 cm 2 V -1 s -1 , in contrast to the lack of measurable charge carrier mobility for the non-hydrogen bond control. This work demonstrates an efficient synthetic strategy to incorporate robust intramolecular hydrogen bonds into conjugated π-systems and elucidates the mechanism on how such hydrogen bonds promote the desired molecular conformation, solid-state packing, and electronic performances of conjugated organic materials.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Defect chemistry and characterization of Hg sub 1x Cd sub x Te

Single crystal samples of undoped and doped Hg sub 1-x Cd sub x Te were annealed at varying temperatures and partial pressures of Hg. Hall effect and mobility measurements were carried out on these samples after quenching to room temperature. Based on the variation of the carrier concentration and the carrier mobility as a function of the partial pressure of Hg temperature, and dopant concentration, defect models were established for the doped and the undoped crystals. These models indicate that the native acceptor defects in both Hg0.8Cd0.2Te and Hg0.6Cd0.4Te doubly ionized and the native donor defects are negligible in concentration, implying that p to n conversion in these alloys occurs due only to residual donors. Incorporation mechanism of copper, indium, iodine, and phosphorus were investigated. A large concentration of indium is found to be paired with the native acceptor defects. Results on crystals doped with phosphorus indicate that phosphorus behaves amphoterically, acting as a donor on Hg lattice sites and as an acceptor intersitially on Te lattice sites. A majority of the phosphorus is found to be present as neutral species formed from the pairing reaction between phosphorus on Hg lattice sites and phosphorus in interstitial sites. Equilibrium constants for the intrinsic excitation reaction, as well as for the incorporation of the different dopants and the native acceptor defects were established.

Vydyanath, H. R.↗
DOE OSTI2020

Carrier Diffusion Lengths Exceeding 1 μm Despite Trap-Limited Transport in Halide Double Perovskites

In this work we image charge carrier transport over nanometers–micrometers and picoseconds–microseconds in halide double perovskites Cs 2 AgBiBr 6 and Cs 2 AgTlBr 6 single crystals using stroboscopic scattering microscopy. Both materials exhibit long, microsecond carrier lifetimes because of their indirect or symmetry-forbidden direct bandgaps. We extract free-charge and trap-limited mobilities near the surface and in the crystal bulk. The free-charge mobilities for both materials (~10–50 cm 2 /(V s)) can reach those reported for archetypal lead halide perovskites. We measure trap densities exceeding 10 17 cm –3 within ~20 nm of the crystal surface. Measurements on freshly cleaved or thermally annealed crystals suggest the traps are primarily halide vacancies that likely form through surface bromine degassing. Although these traps considerably slow charge transport, they are energetically shallow, enabling thermally induced detrapping and mobile carriers over microseconds at room temperature. This defect tolerance yields carrier diffusion lengths exceeding 1 μm even in the presence of large trap densities and under solar excitation conditions where traps are not saturated. These results suggest that halide double perovskites could rival the best lead-based perovskites for photovoltaic and optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Role of Cation Coordination in the Electrical and Optical Properties of Amorphous Transparent Conducting Oxides

Amorphous oxide semiconductor materials have demonstrated numerous advantages without compromise of electrical properties as compared to their crystalline counterparts, yet understanding of the fundamental principles allowing this has remained elusive. To study the origins of enhanced optoelectronic properties, we apply high-throughput, combinatorial sputtering, structural and spectral mapping, and computationally intensive ab initio molecular dynamics simulations with density functional theory to a ternary, post-transition metal oxide system, namely, zinc tin oxide. The deposited thin films exhibit a high figure of merit, achieving carrier densities in the range of 1019 to 1020 cm–3 and carrier mobilities up to 35 cm2/Vs. These results highlight the role of local distortions and cation coordination in determining the microscopic origins of carrier generation and transport. In particular, we identify the strong likelihood of Sn undercoordination in both Zn-poor and Zn-rich phases leading to the high carrier concentrations observed. This not only diverges from the still widespread historical indictment of oxygen vacancies controlling carrier population in crystalline oxides but also provides a comprehensive framework to describe the unique structure–property relationships using specific structural and electronic descriptors in disordered phase materials.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,M↗
DOE OSTI2023

The nature of dynamic local order in CH 3 NH 3 PbI 3 and CH 3 NH 3 PbBr 3

Hybrid organic-inorganic lead-halide perovskites (LHPs) are a class of semiconductors with remarkable properties relevant to optoelectronic applications. The structure-property-function relationship in LHPs, however, is poorly understood, leading to incomplete descriptions of optoelectronic properties and a persistent problem of device degradation due to ion migration. Here, we reveal the true structure to contain an assembly of dynamic, two-dimensional short-range structural correlations in the lead-halide octahedral sublattice, with additional correlations between organic molecules. Here, we propose that these correlations are the origin of large-amplitude halide displacements, which govern charge carrier mobility and the sharpness of the absorption edge. Correlations between organic molecules may introduce regions of transient ferroelectricity or antiferroelectricity, which increase charge carrier lifetime. Finally, the correlations introduce an ion diffusion barrier that is static on the timescale of diffusive jumps.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗