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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SiGe by Materials Project

SiGe crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are eight inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a single-bond geometry to one Si4- atom. The Ge–Si bond length is 2.41 Å. In the second Ge4+ site, Ge4+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. All Ge–Si bond lengths are 2.42 Å. In the third Ge4+ site, Ge4+ is bonded in a single-bond geometry to one Si4- atom. The Ge–Si bond length is 2.42 Å. In the fourth Ge4+ site, Ge4+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Ge–Si bond distances ranging from 2.42–2.44 Å. In the fifth Ge4+ site, Ge4+ is bonded in a single-bond geometry to one Si4- atom. The Ge–Si bond length is 2.43 Å. In the sixth Ge4+ site, Ge4+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. There are one shorter (2.42 Å) and two longer (2.43 Å) Ge–Si bond lengths. In the seventh Ge4+ site, Ge4+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Ge–Si bond distances ranging from 2.42–2.44 Å. In the eighth Ge4+ site, Ge4+ is bonded in a single-bond geometry to one Si4- atom. The Ge–Si bond length is 2.41 Å. There are eight inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to one Ge4+ and three Si4- atoms to form corner-sharing SiSi3Ge tetrahedra. There are one shorter (2.38 Å) and two longer (2.39 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded to three Ge4+ and one Si4- atom to form corner-sharing SiSiGe3 tetrahedra. The Si–Si bond length is 2.38 Å. In the third Si4- site, Si4- is bonded to one Ge4+ and three Si4- atoms to form corner-sharing SiSi3Ge tetrahedra. There are one shorter (2.37 Å) and two longer (2.38 Å) Si–Si bond lengths. In the fourth Si4- site, Si4- is bonded to three Ge4+ and one Si4- atom to form corner-sharing SiSiGe3 tetrahedra. The Si–Si bond length is 2.36 Å. In the fifth Si4- site, Si4- is bonded to one Ge4+ and three Si4- atoms to form corner-sharing SiSi3Ge tetrahedra. In the sixth Si4- site, Si4- is bonded to three Ge4+ and one Si4- atom to form corner-sharing SiSiGe3 tetrahedra. In the seventh Si4- site, Si4- is bonded to three Ge4+ and one Si4- atom to form corner-sharing SiSiGe3 tetrahedra. In the eighth Si4- site, Si4- is bonded to one Ge4+ and three Si4- atoms to form corner-sharing SiSi3Ge tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Controlled Formation of Stacked Si Quantum Dots in Vertical SiGe Nanowires

In this work, we demonstrate the ability to fabricate vertically stacked Si quantum dots (QDs) within SiGe nanowires with QD diameters down to 2 nm. These QDs are formed during high-temperature dry oxidation of Si/SiGe heterostructure pillars, during which Ge diffuses along the pillars’ sidewalls and encapsulates the Si layers. Continued oxidation results in QDs with sizes dependent on oxidation time. The formation of a Ge-rich shell that encapsulates the Si QDs is observed, a configuration which is confirmed to be thermodynamically favorable with molecular dynamics and density functional theory. The type-II band alignment of the Si dot/SiGe pillar suggests that charge trapping on the Si QDs is possible, and electron energy loss spectra show that a conduction band offset of at least 200 meV is maintained for even the smallest Si QDs. Our approach is compatible with current Si-based manufacturing processes, offering a new avenue for realizing Si QD devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Humble planar defects in SiGe nanopillars

We report a {001} planar defect found in SiGe nanopillars. The defect structure, determined by atomic-resolution electron microscopy, matches the Humble defect model proposed for diamond. We also investigate several possible variants of the Humble structure using first-principles calculations and find that the one lowest in energy is in agreement with the scanning transmission electron microscope images. The pillar composition has been analyzed with electron energy loss spectroscopy, which hints at how the defect is formed. Our results show that the structure and formation process of defects in nanostructured group IV semiconductors can be different from their bulk counterparts.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Unifying first-principles theoretical predictions and experimental measurements of size effects in thermal transport in SiGe alloys

We demonstrate the agreement between first-principles calculations and experimental measurements of size effects in thermal transport in SiGe alloys without fitting parameters. Transient thermal grating (TTG) is used to measure the effect of the grating period on the temperature decay. The virtual crystal approximation under the density-functional-theory framework combined with impurity scattering is used to determine the phonon properties for the exact alloy composition of the measured samples. With these properties, classical size effects are calculated for the experimental geometry of reflection mode TTG using the recently developed variational solution to the phonon Boltzmann transport equation, which is verified against established Monte Carlo simulations. Here, we find agreement between theoretical predictions and experimental measurements in the reduction of thermal conductivity (as much as fourfold of the bulk value) across grating periods spanning one order of magnitude. This paper provides a framework for the study of size effects in thermal transport in opaque materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Atomic-layer doping of SiGe heterostructures for atomic-precision donor devices

As a first step to porting scanning tunneling microscopy methods of atomic-precision fabrication to a strained-Si/SiGe platform, we demonstrate post-growth P atomic-layer doping of SiGe heterostructures. To preserve the substrate structure and elastic state, we use a T ≤ 800 °C process to prepare clean Si 0.86 Ge 0.14 surfaces suitable for atomic-precision fabrication. P-saturated atomic-layer doping is incorporated and capped with epitaxial Si under a thermal budget compatible with atomic-precision fabrication. Hall measurements at T = 0.3 K show that the doped heterostructure has R $\square$ = 570 ± 30 Ω , yielding an electron density n e = 2.1 ± 0.1 × 10 14 cm -2 and mobility μ e = 52 ± 3 cm 2 V -1 s -1 , similar to saturated atomic-layer doping in pure Si and Ge. The magnitude of μ e and the complete absence of Shubnikov–de Haas oscillations in magnetotransport measurements indicate that electrons are overwhelmingly localized in the donor layer, and not within a nearby buried Si well. Finally, this conclusion is supported by self-consistent Schrödinger-Poisson calculations that predict electron occupation primarily in the donor layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Quantification of Dopant Profiles in SiGe HBT Devices

We report on the use of atom probe tomography (APT), scanning transmission electron microscopy (STEM), and secondary ion mass spectroscopy (SIMS) to characterize doping profiles in the base region of SiGe HBT devices. We compare SIMS profiles obtained from large regions (400 um 2 ) of the device wafer to profiles obtained from individual devices of different emitter window widths (0.25 and 0.18 um 2 ) using APT. From this comparison we show how APT can provide a deeper insight into evaluating the fabrication process and its effects on electrical models of device performance and enabling the building of higher performance systems. We also demonstrate that APT can be used to characterize defects within the intrinsic regions of a device.

Jones, Eric↗
DOE OSTI2016

Effect of the fabrication conditions of SiGe LEDs on their luminescence and electrical properties

SiGe-based n{sup +}–p–p{sup +} light-emitting diodes (LEDs) with heavily doped layers fabricated by the diffusion (of boron and phosphorus) and CVD (chemical-vapor deposition of polycrystalline silicon layers doped with boron and phosphorus) techniques are studied. The electroluminescence spectra of both kinds of LEDs are identical, but the emission intensity of CVD diodes is ∼20 times lower. The reverse and forward currents in the CVD diodes are substantially higher than those in diffusion-grown diodes. The poorer luminescence and electrical properties of the CVD diodes are due to the formation of defects at the interface between the emitter and base layers.

36 MATERIALS SCIENCE↗
NASA NTRS1969

Segmented SiGe-PbTe couples

New design of segmented couples incorporates an intermediate junction contacted by pressure, and eliminates transition members that bond materials differing in thermal expansion. Development of a reproducible and reliable intermediate junction between PbTe and SiGe will be applicable to direct conversion of energy.

Eggers, P. E.↗
NASA NTRS1972

Vaporization and compatibility of SiGe radioisotope thermoelectric generators.

The limiting operating temperatures of SiGe thermoelectrics designed for extended operation are set by sublimation process of the elements and by considerations of their compatibility with the surrounding insulating elements. Mass spectrometric Knudsen cell and Langmuir vaporization modes of operation have been utilized in the study of the equilibrium vapor species and in the time evaluation of the sublimation process. Isothermal high-vacuum (1 ntorr) anneals of samples have extended observations to long-time spans. The time variations follow the formation of surface depletion layers due to disproportional rates of sublimation of the various species.

Staley, H. G.↗
NASA NTRS1973

Long life performance predictions of SiGe MHW-RTG.

Recent experimental investigations at JPL, Resalab and GGA are incorporated into an analytical model which predicts generator performance over long time periods. The important aging mechanisms considered are degradation in foil insulation conductivity due to reactions with Si sublimed from the hot shoe and SiO2 from the astroquartz layers; changes in hot shoe dimensions due to Si sublimation; changes in leg dimensions due to SiGe sublimation; baffling factors which are applied to the legs to correct the free sublimation model for various effects such as geometry, reactions with the astroquartz wrapping, and hot shoe Si generation; new bulk property changes due to dopant precipitation; and changes in radiation heat exchange due to gap streaming as leg material sublimes.

Caputo, R. S.↗
NASA NTRS1987

Effect of high-temperature annealing on the microstructure and thermoelectric properties of GaP doped SiGe

Annealing of GaP doped SiGe will significantly alter the thermoelectric properties of the material resulting in increased performance as measured by the figure of merit Z and the power factor P. The microstructures and corresponding thermoelectric properties after annealing in the 1100 to 1300 C temperature range have been examined to correlate performance improvement with annealing history. The figure of merit and power factor were both improved by homogenizing the material and limiting the amount of cross-doping. Annealing at 1215 C for 100 hr resulted in the best combination of thermoelectric properties with a resultant figure of merit exceeding 1x10 to the -3 deg C to the -1 and a power factor of 44 microW/cm/deg C sq for the temperature range of interest for space power: 400 to 1000 C.

Draper, Susan L.↗
NASA NTRS1987

Effect of high temperature annealing on the thermoelectric properties of GaP doped SiGe

Silicon-germanium alloys doped with GaP are used for thermoelectric energy conversion in the temperature range 300-1000 C. The conversion efficiency depends on Z = S-squared/rho lambda, a material's parameter (the figure of merit), where S is the Seebeck coefficient, rho is the electrical resistivity and lambda is the thermal conductivity. The annealing of several samples in the temperature range of 1100-1300 C resulted in the power factor P (= S-squared/rho) increasing with increased annealing temperature. This increase in P was due to a decrease in rho which was not completely offset by a drop in S-squared suggesting that other changes besides that in the carrier concentration took place. SEM and EDX analysis of the samples indicated the formation of a Ga-P-Ge rich phase as a result of the annealing. It is speculated that this phase is associated with the improved properties. Several reasons which could account for the improvement in the power factor of annealed GaP doped SiGe are given.

Vandersande, Jan W.↗
NASA NTRS1988

Silane and germane plasma diagnostics for depositing photosensitive a-SiGe:H films

Highly photosensitive a-SiGe:H films with a light-to-dark conductivity ratio of 8 x 103 and an optical bandgap of 1.40 eV have been produced by RF glow discharge using hydrogen dilution of SiH4 and GeH4 mixed gas plasma. The critical role of hydrogen dilution in GeH4 containing plasmas is to suppress the gas-phase polymerization and promote the incorporation of Ge into the film. It is observed that inelastic laser light scattering of the RF plasma is a sensitive method for monitoring the onset of the gas-phase polymerization. In situ coherent anti-Stokes Raman spectroscopy measurements have shown that the dissociation rate of GeH4 is a factor of three larger than that of SiH4.

Shing, Y. H.↗
NASA NTRS1990

Effect of neutron irradiation on the thermoelectric properties of SiGe alloys

Zone-leveled and hot-pressed n- and p-type Si80Ge20 alloys were irradiated with neutrons to a fluence of 4 x 1018 n/sq cm and to a fluence of 5.4 x 1019 n/sq cm at a temperature of approximately 200-300 C. The effect of neutron irradiation on the thermoelectric properties of these alloys was evaluated. The carrier concentration and mobility (and hence the resistivity) were measured at room temperature while the thermal diffusivity was measured at 177-192 C both before and after the irradiation and after each subsequent 2-h heat treatment at 350 C, 600, and 1000 C. The irradiation increased the resistivity significantly, but the thermal conductivity decreased only by about 10-15 percent. This tends to indicate that the radiation produced only small defects (single pairs and small vacancy chains). The samples all returned to almost exactly their preirradiation state after the 1000 C anneal. This indicates that SiGe alloys can be operated in this neutron fluence at high temperatures without a degradation of thermoelectric properties.

Vandersande, Jan W.↗
NASA NTRS1990

Experimental approaches for improving SiGe thermoelectric efficiency at JPL

Efforts to improve the thermoelectric efficiency of silicon-germanium alloys are discussed. These efforts are essentially focused on substantially enhancing carrier concentration levels and thus increasing the power factor values of n-type materials. With the help of thermodynamic phase diagram calculations, a combination of various crystal growth and dopant saturation techniques is used for this purpose. Bulk polycrystal growth of double-doped materials is achieved by zone leveling while a new method (the traveling heater method) for high-quality single-crystal growth of SiGe is being developed. Thin films of homogeneous single-crystalline multidoped Si80Ge20 have also been successfully grown from low-temperature melts to investigate combined dopant solid solubility variations. Very high carrier concentration levels were obtained by (P+As)-combined diffusion in zone-leveled and hot-pressed materials. The good overall understanding of doping mechanisms which has been achieved should enable optimization of the thermoelectric properties over this extended carrier concentration range. Reductions in thermal conductivity are being sought by introduction of very small phonon scattering centers (inert material) in the initial powders-precursors of Si-Ge alloys. This approach should benefit both n- and p-type materials.

Borshchevsky, Alex↗
NASA NTRS1992

Irradiation By Neutrons And Annealing of SiGe Alloys

Heat treatment restores thermoelectric performance having deteriorated under irradiation by neutrons. Discovery suggests SiGe materials used in radioisotope thermoelectric generators and other applications up to fluences of 5.4 X 10(to the 19th power)cm(to the negative 2nd power) and operating at temperatures of 600 to 1,000 degrees C.

Vandersande, Jan W.↗
NASA NTRS1992

Improved electrical properties of n-type SiGe alloys

The effect of changes in the carrier concentration and mobility for heavily doped n-type SiGe on the electrical power factor has been investigated. It has been shown that power factors of 37-40 microV/cm-K-squared can be achieved with carrier concentrations of 2.0 - 2.5 x 10 exp 20/cu cm and mobilities of 38-40 sq cm/V-sec. Many samples with suitable carrier concentration do not have high mobilities and some rationale for this behavior is presented. Initial results are presented on fabrication of n-type samples from ultrafine powders. The emphasis in this work is to achieve thermal conductivity reductions by adding inert particles to scatter midfrequency phonons.

Scoville, A. N.↗
NASA NTRS1993

The effects of strain on the microwave performance of SiGe HBTs

Theoretical study results are presented for the effects of strain on the cutoff frequencies of SiGe heterojunction bipolar transistors. The positive role played by the strain on the base resistance and transit time is shown to have a further effect on high-frequency performance.

Rosenfeld, D.↗