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Solar cells consist of a semiconductor base, a bottom cell with a band-gap energy of E1, and a top cell with a band-gap energy of E2, and 0.96 E1 1.36 eV and (0.80 E + 0.77) eV E2 (0.80 E1 + 0.92) eV. A monolithic cascade-type solar cell was prepared with an n(+)-type GaAs base, a GaInAs bottom solar cell, and a GaAiInAs top solar cell. The surface of the cell is coated with a SiO antireflection film. The efficiency of the cell is 32%.
A new method is described and illustrated for determining the minority-carrier diffusion length and lifetime in the base region of p-n junction solar cells. The method requires only capacitance measurements at the device terminals and its accuracy is estimated to be + or - 5%. It is applied to a set of silicon p-n junction devices and the values of the diffusion lengths agree with those obtained using the current response to X-ray excitation but disagree with those obtained by the OCVD method. The reasons for the relative inaccuracy of OCVD applied to silicon devices are discussed. The capacitance method includes corrections for a two-dimensional fringing effects which occur in small area devices. For a device having highly-doped base region and surface (emitter) layer, the method can be extended to enable the determination of material properties of the degenerately doped surface layer. These material properties include the phenomenological emitter lifetime and a measure of the energy band-gap narrowing in the emitter. An alternate method for determining the energy band-gap narrowing from temperature dependence of emitter current is discussed and demonstrated.
Superlattice of LaN and Si detects at wavelengths up to 12 micrometers. If LaN grown epitaxially on silicon, sensitivity of silicon-based photodetectors extended farther into infrared wavelength region with high quantum detection efficiency by use of LaN/Si superlattices. In principle, by appropriate choice of thicknesses of layers, effective band-gap energy of superlattice structure set to any desired value between band gaps of two materials.
Graded band-gap cell should be able to convert solar radiation into electrical energy more efficiently than any solar cell currently available. Thickness of band-gap region should be chosen to maximize both quantity of light absorbed in region and fraction of photogenerated charge carriers collect at junction.
A theoretical analysis of p-on-n (p/n) graded band-gap Al/x/Ga/1-x/As-GaAs solar cells including all practical energy loss mechanisms predicts air mass zero efficiencies of 17.3%. The energy losses include those due to spectral reflection, surface, bulk and junction recombination currents, and series resistance. The device consists of a layer of p-type Al/x/Ga/1-x/As 3.5-micron thick on top of an n-type GaAs substrate. The graded band-gap is achieved by decreasing x from 0.35 at the surface to zero at the junction. The same structure without the graded Al concentration, no longer an optimum device, has an efficiency of 10.4%. The primary function of the graded band-gap material is the reduction of surface and bulk recombination losses in the surface layer by a built-in electric field. A comparison of the p/n structure with an optimized n/p structure indicates that the latter has a slightly higher efficiency (17.7%) for assumed minority carrier diffusion lengths and surface recombination velocity.
When an extrinsic, direct band-gap semiconductor sample is irradiated by photons of an energy higher than the energy of the band gap between valence and conduction bands, excess electron-hole pairs are generated which, while diffusing through the sample, produce luminescence via radiative recombination. If, furthermore, the intensity of the impinging beam of photons is modulated sinusoidally, the luminescence radiation escaping from the sample will be phase shifted with respect to the original photon beam in a characteristic way. It will be shown that by measuring the phase shift at different modulation frequencies, the Shockley-Read-Hall lifetime of minority carriers may be ascertained. The method is nondestructive inasmuch as there is no need to fabricate p-n junctions or Ohmic contacts, nor is it necessary to remove already existing Ohmic contacts of angle lap the surface, etc., procedures often needed when determining lifetimes with the scanning electron microscope (in which case a p-n junction must be present).
Ground-based research conducted in order to prepare a microgravity space flight experiment is presented. The thermophysical properties of a PbSnTe alloy used for semiconductors are investigated, and furnace calibration and fluid-flow measurements are performed. The alloy has a zero energy crossing at approximately 40 percent SnTe in its band-gap vs composition diagram, which facilitates the design of long-wavelength IR detectors and lasers. The uniformity of devices made from this material depends on the ratio of PbTe and SnTe and requires the composition of the crystal growth to be closely controlled. The main obstacle to such control is the fact that liquid of this material is always solutally or thermally unstable, and, in a high-temperature gradient, the double convective instability cannot be made stable by balancing thermal and solutal expansion. In order to extend the science of crystal growth, the limits of suppression of convection have to be tested in low earth orbit.
A direct band-gap semiconductor is exposed to intensity-modulated photon radiation having a characteristic energy at least as great as the energy gap of the semiconductor. This produces a time dependent concentration of excess charge carriers through the material, producing a luminescence signal modulated at the same frequency as the incident radiation but shifted in phase by an amount related to the lifetime of minority carriers. In a preferred embodiment, the phase shift of the luminescence signal is determined by transforming it to a modulated electrical signal and mixing the electrical signal with a reference signal modulated at the same frequency and having a phase which is known relative to the incident radiation. Minority carrier lifetime is calculated by integrating a direct current component of the mixed signal (F sub dc) over a 2 pi range in phase of the reference signal.
Three models for the dielectric function of Al(x)Ga(1-x)As are reviewed. All are based on measured optical constants at discrete compositions. The validity of each model near critical point energies, and otherwise, is evaluated. Only the energy-shift model is appropriate over the entire available spectrum (1.5-6.0 eV), including the band-gap region.
Characterization and mitigating performance limiting defects in Silicon (Si) PV is one of key areas to be addressed to improve PV hardware costs and energy yield in order to lower the levelized cost of energy (LCOE) of installed PV cost to $0.02/kWh. As Si PV cells efficiencies have surpassed 22% and approaching 23%, the recombination at the metal contacts have become the focus point to be addressed. Passivated contact technologies—having a heterojunction with a band-gap larger than silicon between the metal and silicon—have emerged as a great potential for future highand ultrahigh-efficiency solar cells, as it concurrently reduces recombination and increases carrier selectivity, by incorporating thin films within the contact structure. Passivated contact Si solar cell technologies use a wide variety of tunnel layers—playing a crucial role to passivate metal contacts and tunnel charge carriers—including stoichiometric silicon oxide (SiO 2 ) grown by thermal oxidation and Low-Pressure Chemical Vapor Deposition (LPCVD) technique and silicon oxide (SiO x ) by hot nitric acid. However, thorough investigations on understanding the failure and performance degradation mechanisms associated with tunnel layers are still limited to date. Unlocking those degradation characteristics in crucial tunnel layers could improve the reliability and energy yield of passivated contact Si solar cells. Besides, the technique of growing aforementioned tunneling layers are low throughput, and requires high temperature processes and/or a vacuum environment. In this project, we investigated the performance degradation mechanisms of a low-cost high-throughput ozonated oxide (DI-O 3 ) tunnel layer for the passivated contact Si solar cells.
Understanding many-body interactions of excitons and charge carriers in monolayer semiconductors is crucial for tuning their unique optical properties and optimizing their performance in optoelectronic devices. However, the sensitivity of these atomically thin semiconductors to doping, defects, and strain–arising from synthesis, substrate, and environmental conditions–hinders consistent observation of many-body effects. In this work, we employed linear and ultrafast transient optical absorption spectroscopy to investigate the influence of background doping on exciton many-body interactions in MoS 2 monolayers. Using reversible molecular physisorption gating, we achieved a high background doping density of 4.9 × 10 13 cm −2 in an argon environment, which is significantly higher than those attainable with conventional electrical gating. Our results reveal a photoinduced 𝐴-exciton resonance redshift, attributed to band-gap renormalization at a low background-doping density of 4.3 × 10 12 cm −2 in an air environment, transitioning to a blueshift at a high background-doping density of 4.9 × 10 13 cm −2 due to dominant Pauli blocking effects and vertical excitation shifts. We further observed transient energy splitting between free-exciton and -trion states up to 57 meV due to exciton-electron interactions. The ultrafast spectroscopy further revealed exciton and trion dynamics, including fast energy splitting of exciton and trion resonances within 1 picosecond (ps) followed by a rapid decay having a lifetime of ∼5.4 ps. Furthermore, our results demonstrate the critical role of background-doping conditions in tuning many-body interactions and quasiparticle dynamics in 2D semiconductors, providing valuable insights for future device design and material engineering.
Electrical leakage is an inherent problem in solid-oxide fuel and electrolyzer cells, limiting their energy-conversion efficiency. High concentrations of electrons or holes can exacerbate this issue. However, it is largely unclear how the typical high operating temperatures of the systems influence their charge-carrier concentrations. In this work, we use first-principles calculations to examine how lattice vibrations impact electrical conductivity in conventional electrolytes, using Ba Zr O 3 as a representative material. Our analysis shows that phonon-induced shifts in the band gap and band edges lead to a dramatic increase in p -type carrier concentrations at temperatures above 600 K, compared to models that neglect temperature effects. Additionally, we reveal the importance of oxygen-ion motion on band-edge positions, which makes valence-band-edge shift dominate the band-gap change. Our study provides a protocol for calculating phonon-induced changes in similar oxides, paving the way for interrogating electrical leakage in electrolytes for high-temperature operation. Published by the American Physical Society 2025
The narrow band-gap semiconductor elemental tellurium (Te) has a unique electronic structure due to strong spin-orbit splitting and a lack of inversion symmetry of its helical lattice. Using broadband extreme ultraviolet core-level transient absorption, we simultaneously measure the coherently coupled photoinduced carrier and lattice dynamics at the Te N4,5 edge initiated by a few-cycle NIR pulse. Ultrafast excitation of carriers leads to a coherently excited A1 phonon oscillation and the generation of a hot carrier population distribution that oscillates in temperature, and the phonon excursion and hot carrier temperature are π out of phase with respect to each other. The depths of modulation suggest a significant coupling between the electronic and lattice degrees of freedom in Te. A long-lived shift of the absorption edge suggests an excited state of Te in another equilibrium potential energy surface that lives on the order of the carrier recombination timescale. The observed phonon-induced oscillations of the hot carriers are supportive of a change in the metallicity, whereby Te becomes more metallic with increasing phonon-induced displacement. Additionally, near the Fermi level we observe an energy-dependent phase of the displacive excitation of the A1 phonon mode. The discovery of coherent coupling between the lattice and hot carriers in Te provides the basis to investigate coherent interactions between spin and orbital degrees of freedom. The results spectrally and temporally resolve the correlation between photoexcited hot carriers and coherent lattice excitations, providing insight on the optical manipulation of the Te electronic structure at high carrier densities exceeding 1021cm−3.
Electric polarization in the absence of an externally applied electric field is a key property of polar materials, but the standard interpolation-based ab initio approach to compute polarization differences within the modern theory of polarization presents challenges for automated high-throughput calculations. Berry flux diagonalization [J. Bonini et al., Phys. Rev. B 102, 045141 (2020)] has been proposed as an efficient and reliable alternative, though it has yet to be widely deployed. Here, we assess Berry flux diagonalization using ab initio calculations of a large set of materials, introducing and validating heuristics that ensure branch alignment with a minimal number of intermediate interpolated structures. Our automated implementation of Berry flux diagonalization succeeds in cases where prior interpolation-based workflows fail due to band-gap closures or branch ambiguities. Benchmarking with ab initio calculations of 176 candidate ferroelectrics, we demonstrate the efficacy of the approach on a broad range of insulating materials and obtain accurate effective polarization values with fewer interpolated structures than prior automated interpolation-based workflows. Our real-space heuristics that can predict gauge stability a priori from ionic displacements enable a general automated framework for reliable polarization calculations and efficient high-throughput screening of chemically and structurally diverse polar insulators. These results establish Berry flux diagonalization as a robust and efficient method to compute the effective polarization of solids and to accelerate the data-driven discovery of functional polar materials.
Using high-accuracy many-body quantum Monte Carlo (QMC) methods, we study the effect of interlayer coupling on the properties of two-dimensional freestanding bilayers (BLs) of MoS 2 and phosphorene. The properties of the two BL-materials are very different and largely determined by the interlayer interaction, which is purely van der Waals in MoS 2 and partially electronic/chemical in phosphorene, resulting in a modest layer-dependent property modulation in MoS 2 and strong modulation in phosphorene. Multireference and symmetry considerations are used to construct state-of-the-art accuracy QMC trial wave functions. We determine the quasiparticle band gaps for both materials, $Δ^{\textrm{qp}}_{Γ→\textrm{K}}$ = 2.45 ± 0.05 eV in BL-MoS 2 and $Δ^{\textrm{qp}}_{Γ→Γ}$=1.59 ±0.1eV in BL-phosphorene. In conclusion, these benchmark band-gap values make it possible to consolidate the interpretation of the widely scattered experimental and theory data.
A theory of deep point defects imbedded in otherwise perfect semiconductor crystals is developed with the aid of pseudopotentials. The dominant short-range forces engendered by the impurity are sufficiently weakened in all cases where the cancellation theorem of the pseudopotential formalism is operative. Thus, effective-mass-like equations exhibiting local effective potentials derived from nonlocal pseudopotentials are shown to be valid for a large class of defects. A two-band secular determinant for the energy eigenvalues of deep defects is also derived from the set of integral equations which corresponds to the set of differential equations of the effective-mass type. Subsequently, the theory in its simplest form, is applied to the system Al(x)Ga(1-x)As:Se. It is shown that the one-electron donor level of Se within the forbidden gap of Al(x)Ga(1-x)As as a function of the AlAs mole fraction x reaches its maximum of about 300 meV (as measured from the conduction band edge) at the cross-over from the direct to the indirect band-gap at x = 0.44 in agreement with experiments.
Optical properties of polycrystalline thin films of CrSi2 grown by the diffusion couple method on silicon substrates were investigated. An analysis of the energy dependence of the absorption coefficient indicates that the material is an indirect forbidden gap semiconductor with a band-gap value of slightly less than 0.35 eV. This result was confirmed by measurements of the temperature dependence of the intrinsic conductivity. The value of the bandgap corresponds well to an important window of transparency in the earth's atmosphere (3-5 microns), which makes the material of potential interest for IR detector applications.
The alloy variation of the band gap and the electron and hole effective masses have been calculated for HgCdTe and HgZnTe. Band-gap bowing is larger in HgZnTe than in HgCdTe because of the larger bond length mismatch of HgTe and ZnTe; electron and hole effective masses are found to be comparable for the two alloys for a given band gap. The electron mobility was calculated in both alloys with contributions from phonon, impurity, and alloy scattering. Contributions to the E1 line width due to alloy and impurity scattering in Hg(0.7)Cd(03)Te have been calculated. Results of calculations of the vacancy formation energies in HgTe, ZnTe, and CdTe are discussed.