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Machine Learning and First-Principles Investigation of Lead-Free Wide-Bandgap Double Perovskites for Ultraviolet Optoelectronic Applications

https://doi.org/10.2139/ssrn.7289019
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High-throughput Computational Study of Halide Double Perovskite Inorganic Compounds
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Stability of the Halide Double Perovskite Cs 2 AgInBr 6
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Efficient and Accurate Prediction of Double Perovskite Quasiparticle Band Gaps via Machine Learning and a Descriptor
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Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals
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Chemical Trends in the Thermodynamic Stability and Band Gaps of 980 Halide Double Perovskites: A High-Throughput First-Principles Study
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Ultrafast, Self-Powered, and Charge-Transport-Layer-Free Ultraviolet Photodetectors Based on Sequentially Vacuum-Evaporated Lead-Free Cs 2 AgBiBr 6 Thin Films
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Correction to “Inorganic Halide Double Perovskites with Optoelectronic Properties Modulated by Sublattice Mixing”
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A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications
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Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption
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Inorganic Halide Double Perovskites with Optoelectronic Properties Modulated by Sublattice Mixing
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A Tutorial on Support Vector Machines for Pattern Recognition
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A high-throughput computational dataset of halide perovskite alloys
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Recent progress on solar blind deep ultraviolet photodetectors based on metal halide perovskites
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Hybrid functionals based on a screened Coulomb potential
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Influence of the exchange screening parameter on the performance of screened hybrid functionals
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Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
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Special points for Brillouin-zone integrations
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Projector augmented-wave method
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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From ultrasoft pseudopotentials to the projector augmented-wave method
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Lead‐free metal‐halide double perovskites: from optoelectronic properties to applications
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