318 citations · 1.6k across the 35 of their papers we have counts for
34 papers
Delocalized polaron and Burstein-Moss shift induced by Li in -: DFT+DMFT study
Huu T. Do, Alex Taekyung Lee, Hyowon Park +1
We performed density functional theory (DFT)+ and dynamical mean field theory (DMFT) calculations with continuous time quantum Monte Carlo impurity solver to investigate the ele…
Novel Electronic Structure of Nitrogen-Doped Lutetium Hydrides
Adam Denchfield, Hyowon Park, Russell J. Hemley
First-principles density functional theory (DFT) calculations of Lu-H-N compounds reveal low-energy configurations of Fmm LuHN structures that exhibit…
Effect of Off-Diagonal Elements in Wannier Hamiltonian on DFT+DMFT for low-symmetry material: Study of LiMnO
Alex Taekyung Lee, Hyowon Park, Anh T. Ngo
We study the effect of the off-diagonal elements of the Wannier Hamiltonian on the electronic structure of low-symmetry material LiMnO (), using dynamical mean field…
Absence of mixed valency for Pr in pristine and hole-doped PrNiO
Xingyu Liao, Michael R. Norman, Hyowon Park
Infinite-layer nickelates (NiO) exhibit some distinct differences as compared to cuprate superconductors, leading to a debate concerning the role of rare-earth ions (=La,…
Stability and diffusion of oxygen vacancies in LaNiO: a DMFT study
Uthpala Herath, Vijay Singh, Soumya S. Bhat +2
Manipulating oxygen vacancies in strongly correlated rare-earth nickelate perovskites (RNiO) enables the tuning of their elusive metal-insulator transition (MIT), providing a b…
Effects of the surface termination and oxygen vacancy positions and on LaNiO ultra-thin films: First-principles study
Xingyu Liao, Hyowon Park
While ultra-thin layers of the LaNiO film exhibit a remarkable metal-insulator transition as the film thickness becomes smaller than a few unit cell (u.c.), the formation of ox…