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Register a new userHigh carrier mobility in transparent Ba1-xLaxSnO3 crystals with a wide band gap
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We discovered that perovskite (Ba,La)SnO3 can have excellent carrier mobility even though its band gap is large. The Hall mobility of Ba0.98La0.02SnO3 crystals with the n-type carrier concentration of sim 8-10times10 19 cm-3 is found to be sim 103 cm2 V-1s-1 at room temperature, and the precise measurement of the band gap Delta of a BaSnO3 crystal shows Delta=4.05 eV, which is significantly larger than those of other transparent conductive oxides. The high mobility with a wide band gap indicates that (Ba,La)SnO3 is a promising candidate for transparent conductor applications and also epitaxial all-perovskite multilayer devices.
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Wide band gap semiconductors are essential for todays electronic devices and energy applications due to their high optical transparency, as well as controllable carrier concentration and electrical conductivity. There are many categories of materials that can be defined as wide band gap semiconductors. The most intensively investigated are transparent conductive oxides (TCOs) such as ITO and IGZO used in displays, carbides and nitrides used in power electronics, as well as emerging halides (e.g. CuI) and 2D electronic materials used in various optoelectronic devices. Chalcogen-based (S, Se, Te) wide band gap semiconductors are less heavily investigated but stand out due to 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 conductors. We proceed to summarize progress in wide band gap (Eg > 2 eV) chalcogenide materials, such as II-VI MCh binaries, CuMCh2 chalcopyrites, Cu3MCh4 sulvanites, mixed anion layered CuMCh(O,F), and 2D materials, among others, and discuss computational predictions of potential new candidates in this family, highlighting their optical and electrical properties. We finally review applications of chalcogenide wide band gap semiconductors, e.g. photovoltaic and photoelectrochemical solar cells, transparent transistors, and diodes, that employ wide band gap chalcogenides as either an active or passive layer. 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 conductors and to enable future innovations for optoelectronic devices.
Identification and design of defects in two-dimensional (2D) materials as promising single photon emitters (SPE) requires a deep understanding of underlying carrier recombination mechanisms. Yet, the dominant mechanism of carrier recombination at defects in 2D materials has not been well understood, and some outstanding questions remain: How do recombination processes at defects differ between 2D and 3D systems? What factors determine defects in 2D materials as excellent SPE at room temperature? In order to address these questions, we developed first-principles methods to accurately calculate the radiative and non-radiative recombination rates at defects in 2D materials, using h-BN as a prototypical example. We reveal the carrier recombination mechanism at defects in 2D materials being mostly dominated by defect-defect state recombination in contrast to defect-bulk state recombination in most 3D semiconductors. In particular, we disentangle the non-radiative recombination mechanism into key physical quantities: zero-phonon line (ZPL) and Huang-Rhys factor. At the end, we identified strain can effectively tune the electron-phonon coupling at defect centers and drastically change non-radiative recombination rates. Our theoretical development serves as a general platform for understanding carrier recombination at defects in 2D materials, while providing pathways for engineering of quantum efficiency of SPE.
We report herein that the carrier mobility of the 2%-La-doped BaSnO3 (LBSO) films on (001) SrTiO3 and (001) MgO substrates strongly depends on the thickness whereas it is unrelated to the lattice mismatch (+5.4% for SrTiO3, -2.3% for MgO). Although we observed large differences in the lattice parameters, the lateral grain size (~85 nm for SrTiO3, ~20 nm for MgO), the surface morphology and the density of misfit dislocations, the mobility increased almost simultaneously with the thickness in both cases and saturated at ~100 cm2 V-1 s-1, together with the approaching to the nominal carrier concentration (=[2% La3+]), clearly indicating that the behavior of mobility depends on the film thickness. The present results would be beneficial to understand the behavior of mobility and fruitful to further enhance the mobility of LBSO films.
Materials combining both a high refractive index and a wide band gap are of great interest for optoelectronic and sensor applications. However, these two properties are typically described by an inverse correlation with high refractive index appearing in small gap materials and vice-versa. Here, we conduct a first-principles high-throughput study on more than 4000 semiconductors (with a special focus on oxides). Our data confirm the general inverse trend between refractive index and band gap but interesting outliers are also identified. The data are then analyzed through a simple model involving two main descriptors: the average optical gap and the effective frequency. The former can be determined directly from the electronic structure of the compounds, but the latter cannot. This calls for further analysis in order to obtain a predictive model. Nonetheless, it turns out that the negative effect of a large band gap on the refractive index can counterbalanced in two ways: (i) by limiting the difference between the direct band gap and the average optical gap which can be realized by a narrow distribution in energy of the optical transitions and (ii) by increasing the effective frequency which can be achieved through either a high number of transitions from the top of the valence band to the bottom of the conduction or a high average probability for these transitions. Focusing on oxides, we use our data to investigate how the chemistry influences this inverse relationship and rationalize why certain classes of materials would perform better. Our findings can be used to search for new compounds in many optical applications both in the linear and non-linear regime (waveguides, optical modulators, laser, frequency converter, etc.).
Transparent conducting oxides (TCOs) and transparent oxide semiconductors (TOSs) have become necessary materials for a variety of applications in the information and energy technologies, ranging from transparent electrodes to active electronics components. Perovskite barium stannate (BaSnO3), a new TCO or TOS system, is a potential platform for realizing optoelectronic devices and observing novel electronic quantum states due to its high electron mobility, excellent thermal stability, high transparency, structural versatility, and flexible doping controllability at room temperature. This article reviews recent progress in the doped BaSnO3 system, discussing the wide physical properties, electron-scattering mechanism, and demonstration of key semiconducting devices such as pn diodes and field-effect transistors. Moreover, we discuss the pathways to achieving two-dimensional electron gases at the interface between BaSnO3 and other perovskite oxides and describe remaining challenges for observing novel quantum phenomena at the heterointerface.
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