73 citations · 80 across the 3 of their papers we have counts for
4 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…
Semiconducting character of LaN: magnitude of the band gap, and origin of the electrical conductivity
Zihao Deng, Emmanouil Kioupakis
Lanthanum nitride (LaN) has attracted research interest in catalysis due to its ability to activate the triple bonds of N molecules, enabling efficient and cost-effective synth…
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…