Kyle Bushick
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View article: Carrier confinement and alloy disorder exacerbate Auger–Meitner recombination in AlGaN ultraviolet light-emitting diodes
Carrier confinement and alloy disorder exacerbate Auger–Meitner recombination in AlGaN ultraviolet light-emitting diodes Open
The quantum efficiency of AlGaN ultraviolet light-emitting diodes declines (droops) at increasing operating powers due to Auger–Meitner recombination (AMR). Using first-principles density-functional theory, we show that indirect AMR mediat…
View article: Electron mobility of SnO2 from first principles
Electron mobility of SnO2 from first principles Open
The transparent conducting oxide SnO2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic applications. Experimental reports of the electron mobility of this material vary wi…
View article: Carrier confinement and alloy disorder exacerbate Auger-Meitner recombination in AlGaN ultraviolet light-emitting diodes
Carrier confinement and alloy disorder exacerbate Auger-Meitner recombination in AlGaN ultraviolet light-emitting diodes Open
The quantum efficiency of AlGaN ultraviolet light-emitting diodes (LEDs) declines (droops) at increasing operating powers due to Auger-Meitner recombination (AMR). Using first-principles density-functional theory, we show that indirect AMR…
View article: Conducting remote materials education and outreach with in-person communities: implementation and reflections
Conducting remote materials education and outreach with in-person communities: implementation and reflections Open
The COVID-19 pandemic has greatly impacted educators all over the world and a major area of disruption has been the ability for higher education institutions to provide meaningful STEM education activities to the broader community. In this…
View article: Electron mobility of SnO2 from first principles
Electron mobility of SnO2 from first principles Open
The transparent conducting oxide SnO2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic applications. Experimental reports of the electron mobility of this material vary wi…
View article: Strain effects on Auger–Meitner recombination in silicon
Strain effects on Auger–Meitner recombination in silicon Open
We study the effects of compressive and tensile biaxial strain on direct and phonon-assisted Auger–Meitner recombination (AMR) in silicon using first-principles calculations. We find that the application of strain has a non-trivial effect …
View article: Strain Effects on Auger-Meitner Recombination in Silicon
Strain Effects on Auger-Meitner Recombination in Silicon Open
We study the effects of compressive and tensile biaxial strain on direct and phonon-assisted Auger-Meitner recombination (AMR) in silicon using first-principles calculations. We find that the application of strain has a non-trivial effect …
View article: Electron–phonon physics from first principles using the EPW code
Electron–phonon physics from first principles using the EPW code Open
EPW is an open-source software for ab initio calculations of electron–phonon interactions and related materials properties. The code combines density functional perturbation theory and maximally localized Wannier functions to efficiently c…
View article: Phonon-Assisted Auger-Meitner Recombination in Silicon from First Principles
Phonon-Assisted Auger-Meitner Recombination in Silicon from First Principles Open
Here, we present a consistent first-principles methodology to study both direct and phonon-assisted Auger-Meitner recombination (AMR) in indirect-gap semiconductors that we apply to investigate the microscopic origin of AMR processes in si…
View article: Electron-phonon physics from first principles using the EPW code
Electron-phonon physics from first principles using the EPW code Open
EPW is an open-source software for $\textit{ab initio}$ calculations of electron-phonon interactions and related materials properties. The code combines density functional perturbation theory and maximally-localized Wannier functions to ef…
View article: Hydrogen in disordered titania: connecting local chemistry, structure, and stoichiometry through accelerated exploration
Hydrogen in disordered titania: connecting local chemistry, structure, and stoichiometry through accelerated exploration Open
A combined experimental-and-computational, multi-scale framework for the prediction of hydrogen transport in disordered oxides.
View article: Development and Application of First-Principles Methods for Phonon-Assisted Quantum Processes
Development and Application of First-Principles Methods for Phonon-Assisted Quantum Processes Open
Semiconductors are an extremely diverse class of materials critical to enabling a variety of functional energy applications, from electricity generation and power conversion to efficient lighting and computing. As society continues to grap…
View article: Hydrogen in Disordered Titania: Connecting Local Chemistry, Structure, and Stoichiometry through Accelerated Exploration
Hydrogen in Disordered Titania: Connecting Local Chemistry, Structure, and Stoichiometry through Accelerated Exploration Open
Hydrogen incorporation in native surface oxides of metal alloys often controls the onset of metal hydriding, with implications for materials corrosion and hydrogen storage. A key representative example is titania, which forms as a passivat…
View article: Phonon-assisted Auger-Meitner Recombination in Silicon from First Principles
Phonon-assisted Auger-Meitner Recombination in Silicon from First Principles Open
We present a consistent first-principles methodology to study both direct and phonon-assisted Auger-Meitner recombination (AMR) in indirect-gap semiconductors that we apply to investigate the microscopic origin of AMR processes in silicon.…
View article: Boron arsenide heterostructures: lattice-matched heterointerfaces and strain effects on band alignments and mobility
Boron arsenide heterostructures: lattice-matched heterointerfaces and strain effects on band alignments and mobility Open
BAs is a III–V semiconductor with ultra-high thermal conductivity, but many of its electronic properties are unknown. This work applies predictive atomistic calculations to investigate the properties of BAs heterostructures, such as strain…
View article: Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO2
Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO2 Open
Ultrawide-band-gap (UWBG) semiconductors are promising for fast, compact, and energy-efficient power-electronics devices. Their wider band gaps result in higher breakdown electric fields that enable high-power switching with a lower energy…
View article: Boron arsenide heterostructures: lattice-matched heterointerfaces and strain effects on band alignments and mobility
Boron arsenide heterostructures: lattice-matched heterointerfaces and strain effects on band alignments and mobility Open
View article: Boron Arsenide Heterostructures: Lattice-Matched Heterointerfaces, and\n Strain Effects on Band Alignments and Mobility
Boron Arsenide Heterostructures: Lattice-Matched Heterointerfaces, and\n Strain Effects on Band Alignments and Mobility Open
BAs is III-V semiconductor with ultra-high thermal conductivity, but many of\nits electronic properties are unknown. This work applies predictive atomistic\ncalculations to investigate the properties of BAs heterostructures, such as\nstrai…
View article: Band structure and carrier effective masses of boron arsenide: Effects of quasiparticle and spin-orbit coupling corrections
Band structure and carrier effective masses of boron arsenide: Effects of quasiparticle and spin-orbit coupling corrections Open
We determine the fundamental electronic and optical properties of the high-thermal-conductivity III–V semiconductor boron arsenide (BAs) using density functional and many body perturbation theory including quasiparticle and spin-orbit coup…