From the 1 of 6 linked papers with an AI index.
6 papers
Physics-informed Machine Learning Prediction of Hubbard Interaction Parameters
Jiyeon Kim, Indukuru Ramesh Reddy, Bongjae Kim +1
The paper develops machine‑learning models that predict cRPA‑derived Hubbard interaction parameters (U_eff, V, and J) for transition‑metal oxides, providing both accurate predictio…
Unconventional Mixed-Parity Magnetism in Rare-Earth Tetraborides
Dong-Choon Ryu, Jae-Ho Han, Bongjae Kim +1
Altermagnetism has advanced the study of compensated magnets by revealing non-relativistic spin splitting, traditionally classified into strictly even- or odd-parity spin textures.…
Strain Engineering of van Hove Singularity and Coupled Itinerant Ferromagnetism in Quasi-2D Oxide Superlattices
Seung Gyo Jeong, Minjae Kim, Jin Young Oh +12
Engineering van Hove singularities (vHss) near the Fermi level, if feasible, offers a powerful route to control exotic quantum phases in electronic and magnetic behaviors. However,…
Correlation Effects on Magnetic Structure and Lattice Dynamics of LaMnO: A First-Principles Study
Haeyoon Jung, Indukuru Ramesh Reddy, Bongjae Kim +2
LaMnO, a quadruple perovskite oxide (AA'BO-type), has attracted attention for its notable bifunctional activity in oxygen evolution and reduction reaction…
Role of On-site and Inter-site Coulomb Interactions in KVSb: A first-principles DFT++ study
Indukuru Ramesh Reddy, Sayandeep Ghosh, Bongjae Kim +1
Nonlocal Coulomb interactions play a crucial role in stabilizing distinct electronic phases in kagome materials. In this work, we systematically investigate the effects of on-site…
Comparative analysis of methods for calculating Hubbard parameters using cRPA
Indukuru Ramesh Reddy, M. Kaltak, Bongjae Kim
In this study, we present a systematic comparison of various approaches within the constrained random-phase approximation (cRPA) for calculating the Coulomb interaction parameter $…