103 citations · 183 across the 3 of their papers we have counts for
6 papers · 1 filter
Cation-size mismatch as a predictive descriptor for structural distortion, configurational disorder, and valence-band splitting in II-IV-N semiconductors
Malhar Kute, Zihao Deng, Sieun Chae +1
The II-IV-N class of heterovalent ternary nitrides have gained significant interest as alternatives to the III-nitrides for electronic and optoelectronic applications. In this…
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…
Boron Arsenide Heterostructures: Lattice-Matched Heterointerfaces, and Strain Effects on Band Alignments and Mobility
Kyle Bushick, Sieun Chae, Zihao Deng +2
BAs is III-V semiconductor with ultra-high thermal conductivity, but many of its electronic properties are unknown. This work applies predictive atomistic calculations to investiga…
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…
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…