103 citations · 665 across the 10 of their papers we have counts for
11 papers
Extreme-Band-Gap Semiconductors with Shallow Dopants and Mobile Carriers
Sieun Chae, Nocona Sanders, Kelsey A. Mengle +8
The conventional distinction between semiconductors and insulators is often based on the magnitude of the band gap, with materials exhibiting gaps wider than 3 eV typically classif…
Perspective: Towards the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: the case of rutile GeO
S. Chae, K. A. Mengle, K. Bushick +8
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…
Optical properties of cubic boron arsenide
Bai Song, Ke Chen, Kyle Bushick +6
The ultrahigh thermal conductivity of boron arsenide makes it a promising material for next-generation electronics and optoelectronics. In this work, we report measured optical pro…
Electron and hole mobility of rutile GeO from first principles: an ultrawide-band-gap semiconductor for power electronics
Kyle Bushick, Kelsey A. Mengle, Sieun Chae +1
Rutile germanium dioxide (r-GeO) is a recently predicted ultrawide-band-gap semiconductor with potential applications in high-power electronic devices, for which the carrier mo…
Thermal conductivity of AlN, GaN, and AlGaN alloys as a function of composition, temperature, crystallographic direction, and isotope disorder from first principles
Sahil Dagli, Kelsey A. Mengle, Emmanouil Kioupakis
Ultra-wide-band-gap group-III nitrides are of interest for applications in deep-ultraviolet optoelectronics and power electronics. Such devices must be able to efficiently dissipat…
Quasiparticle band structure and optical properties of rutile GeO, an ultra-wide-band-gap semiconductor
Kelsey A. Mengle, Sieun Chae, Emmanouil Kioupakis
Rutile GeO is a visible and near-ultraviolet-transparent oxide that has not been explored for semiconducting applications in electronic and optoelectronic devices. We investiga…
Rutile GeO2: an ultrawide-band-gap semiconductor with ambipolar doping
Sieun Chae, Jihang Lee, Kelsey A. Mengle +2
Ultra-wide-band-gap (UWBG) semiconductors have tremendous potential to advance electronic devices as device performance improves superlinearly with increasing gap. Ambipolar doping…
Vibrational and electron-phonon coupling properties of \b{eta}-Ga2O3 from first-principles calculations: Impact on the mobility and breakdown field
K. A. Mengle, E. Kioupakis
The wide band gap semiconductor \b{eta}-Ga2O3 shows promise for applications in high-power and high-temperature electronics. The phonons of \b{eta}-Ga2O3 play a crucial role in det…
First-Principles Calculations of the Near-Edge Optical Properties of \b{eta}-Ga2O3
Kelsey A. Mengle, Guangsha Shi, Dylan Bayerl +1
We use first-principles calculations based on many-body perturbation theory to investigate the near-edge electronic and optical properties of \b{eta}-Ga2O3. The fundamental band ga…
Point defects and dopants of boron arsenide from first-principles calculations: donor compensation and doping asymmetry
Sieun Chae, Kelsey Mengle, John T. Heron +1
We apply hybrid density functional theory calculations to identify the formation energies and thermodynamic charge transition levels of native point defects, common impurities, and…
Band structure and carrier effective masses of boron arsenide: effects of quasiparticle and spin-orbit coupling corrections
Kyle Bushick, Kelsey Mengle, Nocona Sanders +1
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 pert…