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Using a combination of optical and electrical measurements, we develop a model for metastable defects in Ag-alloyed Cu(In,Ga)Se2, one of the leading thin film photovoltaic materials. By controlling the pre-selenization conditions of the back contact prior to the growth of polycrystalline (Ag,Cu)(In,Ga)Se2 absorbers and subsequently exposing them to various stresses (light soaking and dark-heat), we explore the nature and role of metastable defects on the electro-optical and photovoltaic performance of high-efficiency solar cell materials and devices. Positron annihilation spectroscopy indicates that dark-heat exposure results in an increase in the concentration of the selenium–copper divacancy complex (VSe–VCu), attributed to depassivation of donor defects. Deep-level optical spectroscopy finds a corresponding increase of a defect at Ev + 0.98 eV, and deep-level transient spectroscopy suggests that this increase is accompanied by a decrease in the concentration of mid-bandgap recombination centers. Time-resolved photoluminescence excitation spectroscopy data are consistent with the presence of the VSe–VCu divacancy complex, which may act as a shallow trap for the minority carriers. Light-soaking experiments are consistent with the VSe–VCu optical cycle proposed by Lany and Zunger, resulting in the conversion of shallow traps into recombination states that limit the effective minority carrier recombination time (and the associated carrier diffusion length) and an increase in the doping density that limits carrier extraction in photovoltaic devices. [ABSTRACT FROM AUTHOR]

This paper presents a comparative study of dose rate calculations for the ES-3100 package with highly enriched uranium (HEU) content for different source configurations using the following computer codes: MCNP, Automated Variance Reduction Generator (ADVANTG)/MCNP, Monaco, and Monaco with Automated Variance Reduction using Importance Calculations (MAVRIC). The Model ES-3100 package was developed at the Y-12 National Security Complex for domestic and international transportation of Type B fissile radioactive material. In this study, six different source configurations (i.e., solid cylinder, cylindrical hemishell, cylindrical shell, rectangular plate, cylindrical rod, and cylindrical segment form) having 36 kg of HEU metal inside the package containment vessel (based on configurations in the ES-3100/HEU safety analysis report for packaging) are evaluated. Dose rates at 1 mm and 1 m from the package surfaces are calculated for these different source configurations. The MCNP and Monaco cases are run without any biasing options to accelerate the convergence. The Consistent Adjoint Driven Importance Sampling and the Forward-Weighted Consistent Adjoint Driven Importance Sampling (FW-CADIS) methods developed at the Oak Ridge National Laboratory are implemented in the ADVANTG/MCNP and MAVRIC codes to accelerate the convergence. ADVANTG generates variance reduction parameters using the Denovo code, and MCNP is used with the variance reduction parameters to accelerate the convergence. MAVRIC uses the Denovo code to construct an importance map and a biased source distribution that are supplied to Monaco to accelerate the Monte Carlo simulation. The FW-CADIS option in ADVANTG and MAVRIC is used to accelerate the convergence in this study. The accelerated convergence cases (ADVANTG/MCNP and MAVRIC) are about 100 times faster with 100 times less particle simulation than those cases run without biasing options (analog MCNP and analog Monaco). The MCNP, ADVANTG/MCNP, Monaco, and MAVRIC calculated dose rates at 1 mm and 1 m from the package surfaces for the different source configurations are compared and are found to be in general agreement. [ABSTRACT FROM AUTHOR]

We report on the synthesis and properties of wafer-scale two-dimensional/three-dimensional (2D/3D) n-SnSe2/n-GaN(0001) heterojunctions. The hexagonal crystal structure of crystalline SnSe2 grown by molecular beam epitaxy was confirmed via in-situ reflection high-energy electron diffraction and off-axis X-ray diffraction. Current-voltage (I-V) measurements of SnSe2/GaN diodes exhibited 9 orders of magnitude rectification, and the SnSe2/GaN heterojunction barrier height was estimated to be 1 eV using capacitance-voltage measurements and internal photoemission measurements. Vertical electronic transport analyzed using temperature-dependent I-V measurements indicates thermionic field emission transport across the junction. This work demonstrates the potential of epitaxial growth of large area high quality 2D crystals on 3D bulk semiconductors for device applications involving carrier injection across 2D/3D heterojunctions. [ABSTRACT FROM AUTHOR]

A systematic study of Schottky barriers fabricated on (010) β-Ga2O3 substrates is reported. Schottky barrier heights (SBHs) and current transport modes were analyzed using a combination of current-voltage (I-V), capacitance-voltage (C-V) and internal photoemission (IPE) measurements for Pd, Ni, Pt and Au Schottky diodes. Diodes fabricated for each metal choice displayed nearly ideal I-V characteristics with room temperature ideality factors ranging from 1.03 to 1.09, reverse leakage currents below detection limits and thermionic emission as the dominant current transport mode for Ni, Pt and Pd. The SBH values varied depending on the metal choice, ranging from 1.27 V for Pd and 1.54 V for Ni to 1.58 V for Pt and 1.71 V for Au, as determined using IPE measurements. Close agreement was observed between these IPE-determined SBH values and the barrier height values from I-V and C-V measurements for the Ni, Pd and Pt Schottky barriers. In contrast, for Au, a lack of general agreement was seen between the SBH measurement methods, the trends of which appear to be consistent with the presence of an inhomogeneous barrier that implies a more complex interface for the Au Schottky barrier. The dependence of the SBH on metal work function suggests that metal-(010) β-Ga2O3 interfaces are not fully pinned, and this assertion was supported by scanning Kelvin probe microscopy measurements made on this sample set. [ABSTRACT FROM AUTHOR]

Electrical and optical characterization of two-dimensional/three-dimensional (2D/3D) p-molybdenum disulfide/n-gallium nitride (p-MoS2/n-GaN) heterojunction diodes are reported. Devices were fabricated on high-quality, large-area p-MoS2 grown by chemical vapor deposition on sapphire substrates. The processed devices were transferred onto GaN/sapphire substrates, and the transferred films were characterized by X-ray diffraction (XRD) and atomic force microscopy (AFM). On-axis XRD spectra and surface topology obtained from AFM scans were consistent with previously grown high-quality, continuous MoS2 films. Current-voltage measurements of these diodes exhibited excellent rectification, and capacitance-voltage measurements were used to extract a conduction band offset of 0.23 eV for the transferred MoS2/GaN heterojunction. This conduction band offset was confirmed by internal photoemission measurements. The energy band lineup of the MoS2/GaN heterojunction is proposed here. This work demonstrates the potential of 2D/3D heterojunctions for novel device applications. [ABSTRACT FROM AUTHOR]

A new experimental framework for the characterization of defects in semiconductors is demonstrated. Through the direct, energy‐resolved correlation of three analytical techniques spanning six orders of magnitude in spatial resolution, a critical mid‐bandgap electronic trap level (EV + 0.56 eV) within Ag0.2Cu0.8In1−xGaxSe2 is traced to its nanoscale physical location and chemical source. This is achieved through a stepwise, site‐specific correlated characterization workflow consisting of device‐scale (≈1 mm2) deep level transient spectroscopy (DLTS) to survey the traps present, scanning probe–based DLTS (scanning‐DLTS) for mesoscale‐resolved (hundreds of nanometers) mapping of the target trap state's spatial distribution, and scanning transmission electron microscope based electron energy‐loss spectroscopy (STEM‐EELS) and X‐ray energy‐dispersive spectroscopy for nanoscale energy‐, structure, and chemical‐resolved investigation of the defect source. This first demonstration of the direct observation of sub‐bandgap defect levels via STEM‐EELS, combined with the DLTS methods, provides strong evidence that the long‐suspected CuIn/Ga substitutional defects are indeed the most likely source of the EV + 0.56 eV trap state and serves as a key example of this approach for the fundamental identification of defects within semiconductors, in general. [ABSTRACT FROM AUTHOR]