9 citations · 20 across the 15 of their papers we have counts for
15 papers
Hybridization-controlled re-entrant electronic phase switching and moire-confined states in twisted bilayer PtTe2
Seoung-Hun Kang, Jeonghwan Ahn, Young-Kyun Kwon
Twisting a van der Waals bilayer changes not only the moiré periodicity but also the local stacking and interlayer hybridization. Here, we show, using fully relaxed first-principle…
Many-body benchmarking of DFT local-registry energetics in bilayer InSe
Jeonghwan Ahn, Abdulgani Annaberdiyev, Jovan Nelson +2
Density functional theory (DFT) is widely used to model twisted bilayers, but the accuracy of the local stacking energetics underlying such models remains uncertain. Here, we bench…
Thickness-Dependent Interlayer Coupling and Semiconductor-to-Semimetal Crossover in Arsenene Multilayers
Jeonghwan Ahn, Seoung-Hun Kang, Jaron T. Krogel
Interlayer interactions in layered materials are often assumed to transfer from the bilayer to the bulk, but this assumption can fail when chemically active out-of-plane orbitals p…
Optimizing Density Functional Theory for Strain-Dependent Magnetic Properties of Monolayer MnBiTe with Diffusion Monte Carlo
Jeonghwan Ahn, Swarnava Ghosh, Seoung-Hun Kang +6
Monolayer MnBiTe (MBT) is an intrinsically magnetic topological insulator whose magnetic response is strongly affected by strain and electron correlation. In density fu…
Nonmagnetic Ground State of Rutile RuO from Diffusion Quantum Monte Carlo
Jeonghwan Ahn, Seoung-Hun Kang, Panchapakesan Ganesh +1
Rutile RuO has been proposed as an altermagnet, but its bulk magnetic ground state is still under debate because density-functional calculations give conflicting predictions. U…
Quantum Monte Carlo Benchmarking of Molecular Adsorption on Graphene-Supported Single Pt Atom
Jeonghwan Ahn, Iuegyun Hong, Gwangyoung Lee +3
The precise understanding of adsorption energetics and molecular geometry at catalytic sites is fundamental for advancing catalysis, particularly under the constraints of resource…
Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo
Annette Lopez, Cody A. Melton, Jeonghwan Ahn +2
Topological insulators are characterized by insulating bulk states and robust metallic surface states. Band inversion is a hallmark of topological insulators: at time-reversal inva…
Stacking Polymorphism of PtSe: Its Implication to Layer-dependent Metal-insulator Transitions
Jeonghwan Ahn, Iuegyun Hong, Gwangyoung Lee +4
Using diffusion Monte Carlo (DMC) and density functional theory (DFT) calculations, we examined the structural stability and interlayer binding properties of PtSe, a representa…
Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods
Daniel Wines, Jeonghwan Ahn, Anouar Benali +10
The field of two-dimensional (2D) materials has grown dramatically in the last two decades. 2D materials can be utilized for a variety of next-generation optoelectronic, spintronic…
Exploring interlayer coupling in the twisted bilayer PtTe
Jeonghwan Ahn, Seoung-Hun Kang, Mina Yoon +1
We have investigated interlayer interactions in the bilayer PtTe system, which influence the electronic energy bands near the Fermi levels. Our diffusion Monte Carlo (DMC) ca…
Procedures for assessing the stability of proposed topological materials
Jeonghwan Ahn, Seoung-Hun Kang, Mao-Hua Du +3
We investigate the stability of MnPbBiTe (MPBT), which is predicted to be a magnetic topological insulator (TI), using density functional theory calculations. Our…
Metastability and topology in the magnetic topological insulator MnBiTe
Jeonghwan Ahn, Seoung-Hun Kang, Mina Yoon +2
We study the effect of stacking faults on the topological properties of the magnetic topological insulator MnBiTe (MBT) using density functional theory calculations and…
Magnetic measures of purity for MnBiTe
M. Chandler Bennett, Jeonghwan Ahn, Anh Pham +3
The intrinsically anti-ferromagnetic topological insulator, MnBiTe (MBT), has garnered significant attention recently. The excitement for this layered van der Waals bonded…
Interlayer correlation between two He monolayers adsorbed on both sides of -graphyne
Jeonghwan Ahn, Sungjin Park, Hoonkyung Lee +1
Path-integral Monte Carlo calculations have been performed to study the He adsorption on both sides of a single -graphyne sheet. For investigation of the interlayer correlat…
Commensurate-incommensurate solid transition in the He monolayer on -graphyne
Jeonghwan Ahn, Hoonkyung Lee, Yongkyung Kwon
Path-integral Monte Carlo calculations have been performed to study the He adsorption on -graphyne, a planar network of benzene rings connected by acetylene bonds. Assuming…