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Superconductivity in alkaline earth metal doped boron hydrides
Effects of alkaline earth metal atoms doping in boron hydrides at high pressure are investigated by first-principles calculations. The calculated results showed that doping with Mg, Ca, Ba, and Sr in B8H16 at 50 GPa is thermodynamically favorable and dynamically stable. The doping changes the B 8 H 16 from a semiconductor to a metal with substantial electronic density-of-state around the Fermi level. The superconductivity of the alkaline earth metal doped B 8 H 16 is studied based on electron-phonon coupling mechanism. The calculated critical superconducting transition temperatures (T c ) range from 10 to 25 K at 50 GPa upon doping. These results suggest that doping metal atoms in boron hydrides is an efficient way in designing superconducting materials.
Electron Beam Infrared Nano-Ellipsometry of Individual Indium Tin Oxide Nanocrystals
Leveraging recent advances in electron energy monochromation and aberration correction, we record the spatially resolved infrared plasmon spectrum of individual tin-doped indium oxide nanocrystals using electron energy-loss spectroscopy (EELS). Both surface and bulk plasmon responses are measured as a function of tin doping concentration from 1–10 atomic percent. Furthermore, these results are compared to theoretical models, which elucidate the spectral detuning of the same surface plasmon resonance feature when measured from aloof and penetrating probe geometries. We additionally demonstrate a unique approach to retrieving the fundamental dielectric parameters of individual semiconductor nanocrystals via EELS. This method, devoid from ensemble averaging, illustrates the potential for electron-beam ellipsometry measurements on materials that cannot be prepared in bulk form or as thin films.
Light-Controlled Room Temperature Ferromagnetism in Vanadium-Doped Tungsten Disulfide Semiconducting Monolayers
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A first-principles understanding of point defects and impurities in GaN
Attaining control over the electrical conductivity of gallium nitride through impurity doping is one of the foremost achievements in semiconductor science. Yet, unwanted contaminants and point defects continue to limit device performance, and experimental techniques alone are insufficient for elucidating the behavior of these unintentionally incorporated species. Methodological advancements have made first-principles calculations more powerful than ever and capable of quantitative predictions, though care must still be taken in comparing results from theory and experiment. In this Tutorial, we explain the basic concepts that define the behavior of dopants, unintentional impurities, and point defects in GaN. We also describe how to interpret experimental results in the context of theoretical calculations and also discuss how the properties of defects and impurities vary in III-nitride alloys. Lastly, we examine how the physics of defects and impurities in GaN is relevant for understanding other wide-bandgap semiconductor materials, such as the II–IV-nitrides, boron nitride, and the transition metal nitrides.
On optical properties and scintillation performance of emerging Ga 2 O 3 : Crystal growth, emission mechanisms and doping strategies
As an emerging ultra-wide bandgap compound semiconductor, Ga 2 O 3 has attracted rapidly growing interest due to its unique physical properties for harsh condition applications. Compared to Ga 2 O 3 ’s electrical-characteristic based uses, such as power electronics, photodetectors and solar cells, a much less explored area for Ga 2 O 3 is its promising optical properties and its related scintillation capabilities. Undoped Ga 2 O 3 is a strong scintillator with excellent scintillation characteristics such as fast decay constants and encouraging light yield which is comparable to that of the classic Bi 4 Ge 3 O 12 (BGO) scintillator. The scintillation capability of Ga 2 O 3 can be precisely tuned via a series of approaches including systematic crystal growth control, post-growth annealing, targeted doping, and optimization of operation temperature. Here we summarize exciting progress of Ga 2 O 3 scintillators which have been pursued over the past few years. Our efforts cover a series of growth techniques of Ga 2 O 3 materials as well as discussion of emission mechanisms. Here we dedicate a targeted portion toward the doping strategies to improve the performance of Ga 2 O 3 . A detailed analysis is provided to compare the impact of different dopants. Through these efforts, we hope to provide useful perspectives to help accelerate the development of high performance Ga 2 O 3 scintillators.
Is Cu 3– x P a Semiconductor, a Metal, or a Semimetal?
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Testing of Novel Semiconductor Opening Switches Using Magnetic Switching
The performance of semiconductor opening switch (SOS) diodes with different doping profiles is assessed with the primary aim of enhancing or substituting hard-to-find devices. SOS devices are capable of providing long lifetime, gigawatt level pulses in generators with risetimes on the nanosecond scale with pulse widths on the order of 20 ns. An experimental testbed is described which allows for rapid testing of diodes with control of the forward pumping time which is a crucial parameter of SOS diodes. A saturable pulse transformer provides both the initial voltage multiplication and reverse current pulse required to drive SOS diodes. Voltage multiplication ratios of 16:1 were achieved with a modest charging voltage of 800 V and simple circuitry. With current densities of up to 1.4 kA ⋅ cm -2 , the testbed produces 10 kV output pulses into a 56 Ω load with a pulsewidth of 16 ns and delivered power of up to 1.9 MW. These novel devices are compared to legacy SOS diodes originating from Russia, with one of the profiles yielding increased performance. Finally, these profiles are studied in hopes of creating manufacturing demand to augment the availability of these useful devices.
An electron paramagnetic resonance study of the electron transport in heavily Si-doped high Al content AlxGa1−xN
High Al mole fraction AlGaN is an ultrawide bandgap semiconductor with potential applications in power electronics and deep UV detectors. Although n-type material is achievable with Si-doping, the role of Si is controversial, particularly for AlxGa1−xN with x > 0.8. For this paper, AlGaN films were grown by plasma-assisted molecular beam epitaxy onto bulk AlN substrates and doped with 1018–1020 cm−3 Si. We examine electron transport in heavily Si-doped AlxGa1−xN with x ≥ 0.65 using magnetic resonance, which allows us to probe the neutral donors directly rather than the free carriers and avoids complications due to electrical contacts. Transport was studied through the temperature-dependent linewidth of the electron paramagnetic resonance (EPR) signature for the neutral donor. Analysis shows evidence of hopping conductivity in the most lightly doped samples and impurity band formation in the most heavily doped ones. The EPR results, which are consistent with Hall measurements performed on the same samples, are promising for the development of highly conducting high Al content AlGaN.
Intrinsic doping limitations in inorganic lead halide perovskites
Inorganic halide perovskites (HP's) of the CsPbX 3 (X = I, Br, Cl) type have reached prominence in photovoltaic solar cell efficiencies, leading to the expectation that they are a new class of semiconductors relative to the traditional ones. Peculiarly, they have shown an asymmetry in their ability to be doped by holes vs. electrons. Indeed, both structural defect-induced doping as well as extrinsic impurity-induced doping strangely often result in HP's in a unipolar doping (dominantly p-type) with low free carriers’ concentration. This raises the question whether such doping limitations presents just a temporary setback due to insufficient optimization of the doping process, or perhaps this represents an intrinsic, physically-mandated bottleneck. Here we study three fundamental Design Principles (DP's) for ideal doping, applying them via density functional doping theory to these HP's, thus identifying the violated DP that explains the doping limitations and asymmetry in these HP's. Here, the target DP are: (i) requires that the thermodynamic transition level between different charge states induced by the dopants must ideally be energetically shallow both for donors (n-type) or acceptors (p-type); DP-(ii) requires that the ‘Fermi level pinning energies’ for electrons E (n) pin and holes E (p) pin (being the limiting value of the Fermi level before a structural defect that compensate the doping forms spontaneously) should ideally be located inside the conduction band for n-type doping and inside the valence band for p-type doping. DP-(iii) requires that the doping-induced shift in equilibrium Fermi energy ΔE (n) F towards the conduction band for n-type doping (shift of ΔE (p) F towards the valence band, for p-type doping) to be sufficiently large. We find that, even though in HP's based on Br and Cl there are numerous shallow level dopants that satisfy DP-(i), in contrast DP-(ii) is satisfied only for holes and DP-(iii) fails for both holes and electrons, being the ultimate bottleneck for the n-type doping in Iodide HP's. This suggests an intrinsic mechanism for doping limitations in this class of semiconductors in terms of recognized physical mechanisms.
Photoactivated p-Doping of Organic Interlayer Enables Efficient Perovskite/Silicon Tandem Solar Cells
Solution-processed organic semiconductor layers on rough surfaces tend to vary widely in thickness, significantly hindering charge extraction in relevant optoelectronic devices. Herein, we report the photoactivated p-doping of hole-transporting material (HTM) to enhance hole extraction for (textured) perovskite/silicon tandem solar cells, making the device performance less sensitive to the variation of hole transport layer thickness. We used the ionic compound 4-isopropyl-4'-methyldiphenyliodonium tetrakis(penta-fluorophenyl-borate) (DPI-TPFB) as a p-type dopant in poly(triaryl amine) (PTAA), which we used as the HTM. We observed that light soaking DPI-TPFB-doped PTAA shows approximately 22 times higher conductivity compared with an undoped PTAA film, which translated into an improved fill factor (FF) for tandem solar cells. Our tandem solar cells achieved an ~80% FF and 27.8% efficiency and operated at their maximum power point for 200 h without loss of performance, in addition to retaining ~83% of initial performance over a month of operation in an outdoor environment.
Wide Band Gap Chalcogenide Semiconductors
Wide band gap semiconductors are essential for today’s electronic devices and energy applications because of their high optical transparency, controllable carrier concentration, and tunable electrical conductivity. The most intensively investigated wide band gap semiconductors are transparent conductive oxides (TCOs), such as tin-doped indium oxide (ITO) and amorphous In–Ga–Zn–O (IGZO), used in displays and solar cells, carbides (e.g., SiC) and nitrides (e.g., GaN) used in power electronics, and emerging halides (e.g., γ-CuI) and 2D electronic materials (e.g., graphene) used in various optoelectronic devices. Compared to these prominent materials families, chalcogen-based (Ch = S, Se, Te) wide band gap semiconductors are less heavily investigated but stand out because of their propensity for p-type doping, high mobilities, high valence band positions (i.e., low ionization potentials), and broad applications in electronic devices such as CdTe solar cells. This manuscript provides a review of wide band gap chalcogenide semiconductors. First, we outline general materials design parameters of high performing transparent semiconductors, as well as the theoretical and experimental underpinnings of the corresponding research methods. We proceed to summarize progress in wide band gap (EG > 2 eV) chalcogenide materials—namely, II–VI MCh binaries, CuMCh 2 chalcopyrites, Cu 3 MCh 4 sulvanites, mixed-anion layered CuMCh(O,F), and 2D materials—and discuss computational predictions of potential new candidates in this family, highlighting their optical and electrical properties. Then, we finally review applications—for example, photovoltaic and photoelectrochemical solar cells, transistors, and light emitting diodes—that employ wide band gap chalcogenides as either an active or passive layer. Overall, by examining, categorizing, and discussing prospective directions in wide band gap chalcogenides, this Review aims to inspire continued research on this emerging class of transparent semiconductors and thereby enable future innovations for optoelectronic devices.
Post-growth modulation doping by ion implantation
Modulation doping is a commonly adopted technique to create two-dimensional (2D) electrons or holes in semiconductor heterostructures. One constraint, however, is that the intentional dopants required for modulation doping are controlled and incorporated during the growth of heterostructures. Here, using undoped strained germanium quantum wells as the model material system, we show that modulation doping can be achieved post-growth of heterostructures by ion implantation and dopant-activation anneals. The carrier density is controlled ex situ by varying the ion fluence and implant energy, and an empirical calibration curve is obtained. While the mobility of the resulting 2D holes is lower than that in undoped heterostructure field-effect transistors built using the same material, the achievable carrier density is significantly higher. Potential applications of this modulation-doping technique are discussed.
Defect Chemistry and Doping of Ultrawide Band Gap (III)BO 3 Compounds
New wide band gap semiconductors are needed to increase the power, voltage, and switching frequency limits of power electronic devices. A recent computational search identified a family of ultrawide band gap (4.8-7.8 eV) group-III orthoborates as promising materials for power electronics, assuming n-type doping could be attained. In this report we test this assumption by investigating the defect chemistry and dopability of rhombohedral calcite-structured AlBO 3 , GaBO 3 , and InBO 3 using first-principles calculations. Of the three, we find InBO 3 to have the most potential for n-type doping without significant compensation by native acceptor defects. Furthermore, Zr is predicted to readily substitute for In and behave as a shallow donor with maximal net donor concentrations exceeding 1 x 10 18 cm -3 under growth conditions typical for this class of materials. We also demonstrate thin film growth of InBO3 and measure its absorption onset, which we find to be consistent with theory. Ultimately, our results confirm the promise of InBO 3 as an n-type ultrawide band gap semiconductor and point to alloying with GaBO 3 and AlBO 3 for further optimization of band gap and electron concentration for high-power applications.
Many-body Green's function approaches to the doped Fröhlich solid: Exact solutions and anomalous mass enhancement
In polar semiconductors and insulators, the Fröhlich interaction between electrons and long-wavelength longitudinal optical phonons induces a many-body renormalization of the carrier effective masses and the appearance of characteristic phonon sidebands in the spectral function, commonly dubbed “polaron satellites.” The simplest model that captures these effects is the Fröhlich model, whereby electrons in a parabolic band interact with a dispersionless longitudinal optical phonon. The Fröhlich model has been employed in a number of seminal papers, from early perturbation-theory approaches to modern diagrammatic Monte Carlo calculations. One limitation of this model is that it focuses on undoped systems, thus ignoring carrier screening and Pauli blocking effects that are present in real experiments on doped samples. Here, to overcome this limitation, we extend the Fröhlich model to the case of doped systems, and we provide exact solutions for the electron spectral function, mass enhancement, and polaron satellites. We perform the analysis using two approaches, namely, Dyson’s equation with the Fan-Migdal self-energy, and the second-order cumulant expansion. We find that these two approaches provide qualitatively different results. In particular, Dyson’s approach yields better quasiparticle masses and worse satellites, while the cumulant approach provides better satellite structures, at the price of worse quasiparticle masses. Both approaches yield an anomalous enhancement of the electron effective mass at finite doping levels, which in turn leads to a breakdown of the quasiparticle picture in a significant portion of the phase diagram.
Electronic Structure, Optical Properties, and Photoelectrochemical Activity of Sn-Doped Fe 2 O 3 Thin Films
Hematite (Fe 2 O 3 ) is a well-known oxide semiconductor suitable for photoelectrochemical (PEC) water splitting and industry gas sensing. It is widely known that Sn doping of Fe 2 O 3 can enhance the device performance, yet the underlying mechanism remains elusive. In this work, we determine the relationship between electronic structure, optical properties and PEC activity of Sn doped Fe 2 O 3 by studying highly crystalline, well-controlled thin films prepared by pulsed laser deposition (PLD). We show that Sn doping substantially increases the n-type conductivity of Fe 2 O 3 , and the conduction mechanism is better described by small-polaron hoping (SPH) model. Only 0.2% Sn doping significantly reduce the activation energy barrier for SPH conduction from at least 0.5 eV for undoped Fe 2 O 3 to 0.14 eV for doped ones. A combination of X-ray photoemission, X-ray absorption spectroscopy and DFT calculations reveals the Fermi level gradually shifts toward the conduction band minimum with Sn doping. A localized Fe 2+ like gap state is observed at the top of valence band, accounting for the SPH conduction. Interestingly, in contrast to the literature, we find that only 0.2% Sn doping in Fe 2 O 3 significantly improves the PEC activity, while more Sn decreases it. The improved PEC activity is partially attributed to an increased band bending potential which facilitates the charge separation at space charge region. The reduced activation energy barrier for SPH will facilitate the transport of photo-excited carriers for the enhanced PEC, which is of interest for further carrier dynamics study.
High‐Efficiency Ion‐Exchange Doping of Conducting Polymers
Abstract Molecular doping—the use of redox‐active small molecules as dopants for organic semiconductors—has seen a surge in research interest driven by emerging applications in sensing, bioelectronics, and thermoelectrics. However, molecular doping carries with it several intrinsic problems stemming directly from the redox‐active character of these materials. A recent breakthrough was a doping technique based on ion‐exchange, which separates the redox and charge compensation steps of the doping process. Here, the equilibrium and kinetics of ion exchange doping in a model system, poly(2,5‐bis(3‐alkylthiophen‐2‐yl)thieno(3,2‐b)thiophene) (PBTTT) doped with FeCl 3 and an ionic liquid, is studied, reaching conductivities in excess of 1000 S cm −1 and ion exchange efficiencies above 99%. Several factors that enable such high performance, including the choice of acetonitrile as the doping solvent, which largely eliminates electrolyte association effects and dramatically increases the doping strength of FeCl 3 , are demonstrated. In this high ion exchange efficiency regime, a simple connection between electrochemical doping and ion exchange is illustrated, and it is shown that the performance and stability of highly doped PBTTT is ultimately limited by intrinsically poor stability at high redox potential.
Growth and characterization of ferromagnetic Ga 2 O 3 :(Cr, Mn)
The goal of this Exploratory Express project was to explore the possibility of tunable ferromagnetism in Mn or Cr incorporated epitaxial Ga 2 O 3 films. Tunability of magnetic properties can enable novel applications in spintronics, quantum computing, and magnetism-based logics by allowing control of magnetism down to the nanoscale. Carriers (electrons or holes) mediated ferromagnetic ordering in semiconductor can lead to tunable ferromagnetism by leveraging the tunability of carrier density with doping level, gate electric field, or optical pumping of the carriers. The magnetic ions (Cr or Mn) in Ga 2 O 3 act as localized spin centers which can potentially be magnetically coupled through conduction electrons to enable ferromagnetic ordering. Here we investigated tunable ferromagnetism in beta Ga 2 O 3 semiconductor host with various n-doping levels by incorporating 2.4 atomic percent Mn or Cr. The R&D approach involved growth of epitaxial Ga 2 O 3 film on sapphire or Ga 2 O 3 substrate, implantation of Mn or Cr ions, annealing of the samples post implantation, and magnetic measurements. We studied magnetic behavior of Mn:Ga 2 O 3 as a function of different n-doping levels and various annealing temperatures. The vibrating sample magnetometry (VSM) measurement exhibited strong ferromagnetic signals from the annealed Mn:Ga 2 O 3 sample with n-doping level of 5E19 cm -3 . This ferromagnetic behavior disappears from Mn:Ga 2 O 3 when the n-doping level is reduced to 5E16 cm -3 . Although these results are to be further verified by other measurement schemes due to the observation of background ferromagnetism from the growth substrate, these results indicate the possibility of tunable ferromagnetism in Mn:Ga 2 O 3 mediated by conduction electrons.