68 citations · 149 across the 7 of their papers we have counts for
9 papers · 1 filter
Optimizing Density Functional Theory for Strain-Dependent Magnetic Properties of MnBiTe with Diffusion Monte Carlo
Swarnava Ghosh, Jeonghwan Ann, Seoung-Hun Kang +6
In this study, we evaluate the predictive power of density functional theory (DFT) for the magnetic properties of MnBi\(_2\)Te\(_4\) (MBT), an intrinsically magnetic topological in…
Improved Electrical Conductivity of Copper and Nitrogen Functionalized Carbon Nanotubes
Mina Yoon, German D. Samolyuk, Kai Li +2
In this work, we investigate the electrical conductivity of carbon nanotubes (CNTs), with a particular focus on the effects of doping. Using a first-principles approach, we study t…
Controlling structural phases of Sn through lattice engineering
Chandima Kasun Edirisinghe, Anjali Rathore, Taegeon Lee +15
Topology and superconductivity, two distinct phenomena offer unique insight into quantum properties and their applications in quantum technologies, spintronics, and sustainable ene…
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…
Theoretical investigation of delafossite-Cu2ZnSnO4 as a promising photovoltaic absorber
Seoung-Hun Kang, Myeongjun Kang, Sang Woon Hwang +4
In the quest for efficient and cost-effective photovoltaic absorber materials beyond silicon, considerable attention has been directed toward exploring alternatives. One such mater…
Doping transition-metal atoms in graphene for atomic-scale tailoring of electronic, magnetic, and quantum topological properties
Ondrej Dyck, Lizhi Zhang, Mina Yoon +7
Atomic-scale fabrication is an outstanding challenge and overarching goal for the nanoscience community. The practical implementation of moving and fixing atoms to a structure is n…