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Intrinsic and complex defect engineering of quasi-one-dimensional ribbons Sb 2 S 3 for photovoltaics performance

Sb 2 S 3 has attracted great attention recently as a prospective solar cell absorber material. In this work, intrinsic defects, dopants, and their complexes in Sb 2 S 3 are systematically investigated by using hybrid functional theory. V Sb and V S are dominant native defects and pin the Fermi level near the midgap, which is consistent with the high resistivity observed experimentally. Both V Sb and V S introduce deep levels inside the band gap, which can trap free carriers. Our calculated deep transition levels of V Sb and Sb S are consistent well with the results of the deep-level transient spectroscopy measurement. We further study dopants (including Cu, Ti, Zn, Br, and Cl) in Sb 2 S 3 and find that Zn and Br/Cl are shallow acceptors and donors, respectively, which may be used to control the carrier and trap densities in Sb 2 S 3 . In addition, the defect complexes, i.e., Cu(Zn) Sb +V S and Cl(Br) S +V Sb are also investigated. The interaction between the donor and acceptor defects makes the defect levels of complexes shallower and less detrimental to carrier transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Study of radiation induced deep-level defects in proton irradiated AlGaAs-GaAs solar cells

Radiation induced deep-level defects (both electron and hole traps) in proton irradiated AlGaAs-GaAs p-n junction solar cells are investigated along with the correlation between the measured defect parameters and the solar cell performance parameters. The range of proton energies studied was from 50 KeV to 10 MeV and the proton fluence was varied from 10 to the 10th power to 10 to the 13th power P/sq cm. Experimental tools employed include deep-level transient spectroscopy, capacitance-voltage, current voltage, and SEM-EBIC methods. Defect and recombination parameters such as defect density and energy level, capture cross section, carrier lifetimes and effective hole diffusion lengths in n-GaAs LPE layers were determined from these measurements.

Li, S. S.↗

Large-area silicon sheet task

A set of computer models was used to define a growth system configuration that was then built and used to grow web with lower thermally generated stress. Aspects of research in the edge-defined film-fed growth (EFG) method of making Si ribbon are reported. A technique was developed to determine base resistivity and carrier lifetime in semicrystalline wafers. Automated growth of 150 kg of 15 cm-dia ingot material per crucible is reviewed. Scanning transmisson electron microscopy (STEM) and microprobe investigations of processed EFG ribbon are reported. The chemical composition of the large precipitates was studied. The structural arrangement and the electrical activity of distentions or close to the central twin plane in processed material were studied. The electrical and structural properties of grain boundaries in silicon are discussed. Temperature-dependence measurements of zero-bias conductance, a photoconductivity technique, and deep-level transient spectroscopy (DLTS) were developed. A grooving and staining technique, secondary ion mass spectroscopy, and EBIC measurements in scanning electron microscopy were used to study enhanced diffusion of phosphorus at grain boundaries in polycrystaline silicon. The fundamental mechanisms of abrasion and wear and the deformation of Si by a diamond in various fluid environments are described. The efficiency of solar cells made from EFG ribbon and Semix Inc. material is reported.

Morrison, A. D.↗

Defects and annealing studies in 1-Me electron irradiated (AlGa)As-GaAs solar cells

The deep-level defects and recombination mechanisms in the one-MeV electron irradiated (AlGa)As-GaAs solar cells under various irradiation and annealing conditions are discussed. Deep-level transient spectroscopy (DLTS) and capacitance-voltage (CV) techniques were used to determine the defect and recombination parameters such as energy levels and defect density, carrier capture cross sections and lifetimes for both electron and hole traps as well as hole diffusion lengths in these electron irradiated GaAs solar cells. GaAs solar cells used in this study were prepared by the infinite solution melt liquid phase epitaxial (LPE) technique at Hughes Research Lab., with (Al0.9Ga0.1)-As window layer, Be-diffused p-GaAs layer on Sn-doped n-GaAs or undoped n-GaAs active layer grown on n(+)-GaAs substrate. Mesa structure with area of 5.86x1000 sq cm was fabricated. Three different irradiation and annealing experiments were performed on these solar cells.

Li, S. S.↗

Characterization of grain boundaries in silicon

Zero-bias conductance and capacitance measurements at various temperatures were used to study trapped charges and potential barrier height at the boundaries. Deep-level transient spectroscopy (DLTS) was applied to measure the density of states at the boundary. A study of photoconductivity of grain boundaries in p-type silicon demonstrated the applicability of the technique in the measurement of minority carrier recombination velocity at the grain boundary. Enhanced diffusion of phosphorus at grain boundaries in three cast polycrystalline photovoltaic materials was studied. Enhancements for the three were the same, indicating that the properties of boundaries are similar, although grown by different techniques. Grain boundaries capable of enhancing the diffusion were found always to have strong recombination activities; the phenomena could be related to dangling bonds at the boundaries. Evidence that incoherent second-order twins of (111)/(115) type are diffusion-active is presented.

Cheng, L. J.↗

DLTS analysis of radiation-induced defects in one-MeV electron irradiated germanium and Alsub0.17Gasub0.83As solar cells

The radiation-induced deep-level defects in one-MeV electron-irradiated germanium and AlxGal-xAs solar cell materials using the deep-level transient spectroscopy (DLTS) and C-V techniques were investigated. Defect and recombination parameters such as defect density and energy levels, capture cross sections and lifetimes for both electron and hole traps were determined. The germanium and AlGaAs p/n junction cells were irradiated by one-MeV electrons. The DLTS, I-V, and C-V measurements were performed on these cells. The results are summarized as follows: (1) for the irradiated germanium samples, the dominant electron trap was due to the E sub - 0.24 eV level with density around 4x10 to the 14th power 1/cu cm, independent of electron fluence, its origin is attributed to the vacancy-donor complex defect formed during the electron irradiation; (2) in the one-MeV electron irradiated Al0.17Ga0.83 as sample, two dominant electron traps with energies of Ec-0.19 and -0.29 eV were observed, the density for both electron traps remained nearly constant, independent of electron fluence. It is shown that one-MeV electron irradiation creates very few or no new deep-level traps in both the germanium and AlxGa1-xAs cells, and are suitable for fabricating the radiation-hard high efficiency multijunction solar cells for space applications.

Li, S. B.↗

Quenched-in defects in flashlamp-annealed silicon

Deep levels introduced in boron-doped silicon by heat-pulse annealing with a tungsten-halogen flashlamp are investigated using deep-level transient spectroscopy. Two majority-carrier trapping levels in the band gap, at Ev + 0.32 eV and at Ev + 0.45 eV, are observed. These results are compared to those obtained by furnace-quenching and laser-annealing studies. Both the position in the gap and the annealing kinetics of the hole trap at Ev + 0.45 eV suggest that this center is due to an interstitial iron impurity in the lattice. The deep levels are not consistently observed in all flashlamp-annealed Si crystals utilized.

Borenstein, J. T.↗

Development of high-efficiency solar cells on silicon web

Achievement of higher efficiency cells by directing efforts toward identifying carrier loss mechanisms; design of cell structures; and development of processing techniques are described. Use of techniques such as deep-level transient spectroscopy (DLTS), laser-beam-induced current (LBIC), and transmission electron microscopy (TEM) indicated that dislocations in web material rather than twin planes were primarily responsible for limiting diffusion lengths in the web. Lifetimes and cell efficiencies can be improved from 19 to 120 microns, and 8 to 10.3% (no AR), respectively, by implanting hydrogen at 1500 eV and a beam current density of 2.0 mA/sq cm. Some of the processing improvements included use of a double-layer AR coating (ZnS and MgF2) and an addition of an aluminum back surface reflectors. Cells of more than 16% efficiency were achieved.

Meier, D. L.↗

Metastable defects in Be-doped Al(x)Ga(1-x)As

Deep-level transient spectroscopy has been used to study metastable defects in Be-doped Al(x)Ga(1-x)As grown by molecular-beam epitaxy. The metastability manifests itself by the appearance of different spectra depending upon whether the sample is cooled from a high temperature with zero bias or a reverse bias applied to it. The defects are found in concentrations of 10 to the 15th/cu cm in a sample doped with 10 to the 18th Be/cu cm and in much lower concentrations in a 10 to the 17th Be/cu cm sample. Isochronal annealing experiments indicate that the defect is multistable and that it is best modeled as a mobile interstitial which can reside at several sites near acceptor. The activation energies for these defects are between 0.2 and 0.5 eV above the valence band.

Magno, R.↗

The influence of Sb doping on the growth and electronic properties of GaAs(100) and AlGaAs(100)

Isoelectronic doping using antimony has been shown to reduce traps and improve material properties during epitaxial growth of Si doped GaAs(100) and AlGaAs(100). In this study, the effect of the antimony dopant on the optimal growth temperature is examined with the aim of producing high-quality heterostructures at lower temperatues. High-quality films of GaAs and AlGaAs have been grown by molecular-beam epitaxy at the normal growth temperatures of 610 and 700 C, respectively, and 50-100 C below this temperature using varying small amounts of Sb as a dopant. Electrical properties of the films were then examined using Hall mobility measurements and deep-level transient spectroscopy.

Jamison, K. D.↗

MIS capacitor studies on silicon carbide single crystals

Cubic SIC metal-insulator-semiconductor (MIS) capacitors with thermally grown or chemical-vapor-deposited (CVD) insulators were characterized by capacitance-voltage (C-V), conductance-voltage (G-V), and current-voltage (I-V) measurements. The purpose of these measurements was to determine the four charge densities commonly present in an MIS capacitor (oxide fixed charge, N(f); interface trap level density, D(it); oxide trapped charge, N(ot); and mobile ionic charge, N(m)) and to determine the stability of the device properties with electric-field stress and temperature. The section headings in the report include the following: Capacitance-voltage and conductance-voltage measurements; Current-voltage measurements; Deep-level transient spectroscopy; and Conclusions (Electrical characteristics of SiC MIS capacitors).

Kopanski, J. J.↗

Carrier removal and defect behavior in p-type InP

A simple expression, obtained from the rate equation for defect production, was used to relate carrier removal to defect production and hole trapping rates in p-type InP after irradiation by 1-MeV electrons. Specific contributions to carrier removal from defect levels H3, H4, and H5 were determined from combined deep-level transient spectroscopy (DLTS) and measured carrier concentrations. An additional contribution was attributed to one or more defects not observed by the present DLTS measurements. The high trapping rate observed for H5 suggests that this defect, if present in relatively high concentration, could be dominant in p-type InP.

Weinberg, I.↗

Trap characterization of high-growth-rate laser-assisted MOCVD GaN

A detailed study comparing defect incorporation between laser-assisted metal-organic chemical vapor deposition (MOCVD)-grown GaN and conventional low- and high-growth-rate MOCVD GaN was conducted. Using deep-level transient and optical spectroscopy, traps throughout the bandgap were characterized where traps were found at EC-0.25 eV, EC-0.57 eV, EC-0.72 eV, EC-0.9 eV, EC-1.35 eV, EC-2.6 eV, and EC-3.28 eV in all three samples. This indicates no new traps were observed in the laser-assisted MOCVD GaN sample. Overall, the trap concentrations in the laser-assisted MOCVD sample were ∼2× higher than the optimal low-growth-rate sample, but this is primarily due to the increase in gallium vacancy EC-2.6 eV and carbon-related EC-3.28 eV trap concentrations. The EC-0.9 eV trap concentration was ∼2× higher in the laser-assisted sample, so proton irradiation experiments were conducted to identify the physical source of this level. The results indicated this was a native point defect likely related to gallium interstitials. Overall, this study shows that the laser-assisted MOCVD growth method is promising for future thick, high-quality GaN epilayers after further growth optimizations.

Physics↗

Improved VOC in RbF-Treated Cu(In,Ga)Se2 Solar Cells via Passivation of Recombination Centers

Cu(In,Ga)Se 2 (CIGS) solar cells have benefited in recent years from the addition of heavy alkali elements, such as Rb, which increase the solar cell open-circuit voltage ( V OC ). To investigate the source of this improvement, here, we compare samples with and without Rb to perform a quantitative comparison of electronic defects and minority carrier lifetime. Deep-level transient and optical spectroscopy measurements were performed on two sets of rubidium fluoride (RbF)-treated and untreated CIGS, and three distinct traps were identified regardless of RbF treatment. The RbF treatment was found to reduce the concentration of the H2 trap, which was previously found to act as a recombination center and is located preferentially at CIGS grain boundaries. Time-resolved photoluminescence measurements showed an increase in effective lifetime after RbF and nearly all lifetime improvement resulted from reductions in bulk recombination. The observed V OC improvement is well correlated with increased minority carrier lifetime and acceptor concentration, which led to increases and decreases in electron and hole quasi-Fermi levels, respectively.

Cu(In Ga)Se2 (CIGS)↗

Degradation-related defect level in weathered silicon heterojunction modules characterized by deep level transient spectroscopy

Commercial silicon heterojunction photovoltaic modules, known as amorphous-silicon-based heterojunction with intrinsic thin-film layer (HIT) modules, show average degradation after 10 years in the field. HIT modules weathered outdoors in Colorado and Florida display mostly uniform decreases in intensity when mapped with photoluminescence (PL) imaging compared to a control module. Flash-table-based current-voltage curves show that degradation is dominated by voltage loss. Samples are cored from each of the modules, and deep level transient spectroscopy (DLTS) detects three electron-trap defect states in all modules with activation energies of electron emission from the defects of 0.07, 0.16, and 0.50 eV. DLTS measurements on the weathered modules show an additional deep-level, electron-trap defect state with an activation energy of 0.51 eV and a trap density of approximately 10 12 cm –3 . The capture rate is measured using varying short filling pulse times, and the resulting capture cross section is estimated to be 1.1x10 –16 cm 2 . The development of the weathering-related defect level correlates to decreases in carrier lifetime, PL intensity, and module voltage. Various depths of the space charge region are probed with increments in applied reverse bias and filling-pulse bias. Furthermore, this DLTS depth profiling shows a trend of trap density increasing with less applied reverse bias, suggesting that the weathering-related defect increases carrier recombination toward the interface between the bulk silicon wafer and the junction-forming amorphous-silicon passivation layers.

14 SOLAR ENERGY↗

Experimental and theoretical studies of native deep-level defects in transition metal dichalcogenides

Abstract Transition metal dichalcogenides (TMDs), especially in two-dimensional (2D) form, exhibit many properties desirable for device applications. However, device performance can be hindered by the presence of defects. Here, we combine state of the art experimental and computational approaches to determine formation energies and charge transition levels of defects in bulk and 2D MX 2 (M = Mo or W; X = S, Se, or Te). We perform deep level transient spectroscopy (DLTS) measurements of bulk TMDs. Simultaneously, we calculate formation energies and defect levels of all native point defects, which enable identification of levels observed in DLTS and extend our calculations to vacancies in 2D TMDs, for which DLTS is challenging. We find that reduction of dimensionality of TMDs to 2D has a significant impact on defect properties. This finding may explain differences in optical properties of 2D TMDs synthesized with different methods and lays foundation for future developments of more efficient TMD-based devices.

36 MATERIALS SCIENCE↗

Investigating the Effects of Individual Neutron-Induced Defects in Bipolar Junction Transistors

Here, this study investigates neutron-induced displacement damage in Bipolar Junction Transistors (BJTs) using TCAD models informed by Deep-Level-Transient-Spectroscopy (DLTS) data. These models are calibrated and validated against experimental measurements performed at various neutron fluences. Both npn and pnp transistor configurations are studied to analyze the effects of individual traps on carrier recombination and base leakage currents. In npn transistors, deep traps (0.42 eV from the conduction band) dominate at low voltages, while shallow traps (0.17 eV from the conduction band) become prominent at higher voltages. Conversely, pnp transistors have base leakage current predominantly due to deep-level traps. The study observes a notable trend in trap density versus fluence, characterized by a linear relationship on a log-log scale. These insights into defect evolution under radiation conditions are crucial for optimizing semiconductor device reliability and performance in radiation-prone environments.

42 ENGINEERING↗