10 citations · 24 across the 8 of their papers we have counts for
6 papers · 1 filter
First-principles carrier mobility and optical absorption of strained ZnO with self-consistent Hubbard interactions
Hong-Guk Min, Wooil Yang, Sabyasachi Tiwari +2
Carrier mobility and optical absorption are key performance parameters of oxide semiconductors in transparent and flexible displays. We use a newly developed density-functional per…
Comparing Hubbard parameters from linear-response theory and a Hartree-Fock-based approach
Wooil Yang, Iurii Timrov, Francesco Aquilante +1
Density-functional theory with on-site and inter-site Hubbard corrections (DFT++) is widely used to predict properties of transition-metal and rare-earth compounds, b…
First-principles electron-phonon interactions with self-consistent Hubbard interaction: an application to transparent conductive oxides
Wooil Yang, Sabyasachi Tiwari, Feliciano Giustino +1
The ab initio computational method known as Hubbard-corrected density functional theory (DFT+) captures well ground electronic structures of a set of solids that are poorly desc…
First-principles study of dielectric properties of ferroelectric perovskite oxides with on-site and inter-site Hubbard interactions
Min Chul Choi, Wooil Yang, Young-Woo Son +1
We study the atomic and electronic structures of ferroelectric perovskite oxides, BaTiO, LiNbO, and PbTiO using ab initio extended Hubbard functionals in which the on-s…
A DFT++ study of pristine and oxygen-deficient HfO with self-consistent Hubbard parameters
Yudi Yang, Wooil Yang, Young-Woo Son +1
HfO-based ferroelectrics have emerged as promising materials for advanced nanoelectronics, with their robust polarization and silicon compatibility making them ideal for high-d…
Effects of self-consistent extended Hubbard interactions and spin-orbit couplings on energy bands of semiconductors and topological insulators
Wooil Yang, Young-Woo Son
A first-principles computational method with self-consistent on-site and inter-site Hubbard functionals is able to treat local and non-local Coulomb interactions on an equal footin…