202 citations · 1.9k across the 40 of their papers we have counts for
42 papers
Crystal Orbital Guided Iteration to Atomic Orbitals: A Pathway to Chemically Adaptive Atomic Orbitals from DFT
Emily Oliphant, Emmanouil Kioupakis, Wenhao Sun
Atomic orbitals underpin our understanding of electronic structure, providing intuitive descriptions of bonding, charge transfer, magnetism, and correlation effects. Despite their…
Electronic structure and defect properties of Bi-doped GaN: origins of photoluminescence and optical absorption
Yujie Liu, Ishtiaque Ahmed Navid, Zetian Mi +1
Extreme lattice-mismatched III-V nitrides, such as Bi-incorporated GaN, have been realized experimentally thanks to recent advances in epitaxial growth and characterization techniq…
Selective incorporation of antimony into gallium nitride
Yujie Liu, Ishtiaque Ahmed Navid, Zetian Mi +1
Dilute concentrations of antimony (Sb) incorporation into GaN induce strong band-gap bowing and tunable room-temperature photoluminescence from the UV to the green spectral regions…
Electron mobility of SnO2 from first principles
Amanda Wang, Kyle Bushick, Nick Pant +6
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. Experimenta…
Electric-Field-Induced Domain Walls in Wurtzite Ferroelectrics
Ding Wang, Danhao Wang, Mahlet Molla +8
Wurtzite ferroelectrics possess transformative potential for next-generation microelectronics. A comprehensive understanding of their ferroelectric properties and domain energetics…
Increased light-emission efficiency in disordered InGaN through the correlated reduction of recombination rates
Nick Pant, Emmanouil Kioupakis
Experiments have shown that the light-emission efficiency of indium gallium nitride (InGaN) light-emitting diodes improves with increasing indium concentration. It is widely though…