Showing 110 results for Author: Mina Yoon
Aug, 2024
Journal
We have investigated interlayer interactions in the bilayer PtTe2 system, which influence the electronic energy bands near the Fermi level. Our diffusion Monte Carlo (DMC) calculations for the high-symmetry bilayer stackings (AA, AB, AC) manifest distinct interlayer binding characteristics among the stacking modes by revealing significantly different interlayer separations…
Jul, 2024
Journal
There is a growing demand for advanced conductors with enhanced electrical properties to increase the energy efficiency in various applications. A promising strategy to achieve this involves the use of ultraconductive copper (UCC) composites that incorporate highly conductive carbon materials, such as carbon nanotubes (CNTs), into the copper matrix. In this study, we prese…
Jun, 2024
Journal
We investigate the high temperature phase of the kagome metal ScV$_6$Sn$_6$ using scanning tunneling microscopy/spectroscopy (STM/S) and density functional theory (DFT) calculations. STM topographic imagery of the cleaved sample shows two different surface terminations: flat islands of with Sn-termination and trenches terminated by kagome layers with Sn as the outermost at…
Mar, 2024
Journal
Delafossites, typically denoted by the formula ABO2, are a class of layered materials that exhibit a wide range of electronic and optical properties. Recently, the idea of modifying these delafossites into ordered kagome or honeycomb phases via strategic doping has emerged as a potential way to tailor these properties. In this study, we use high-throughput density function…
Jan, 2024
Journal
Despite theoretical predictions of a gapped surface state for the magnetic topological insulator MnBi2Te4 (MBT), there has been a series of experimental evidence pointing toward gapless states. Here, we theoretically explore how stacking faults could influence the topological characteristics of MBT. We envisage a scenario that a stacking fault exists at the surface of MBT,…
Jan, 2024
Journal
Boron-doped carbon nanostructures have attracted great interest recently because of their remarkable electrocatalytic performance comparable to or better than that of conventional metal catalysts. In a previous work (Carbon 123, 605 (2017)), we reported that along with significant performance improvement, B doping enhances the oxidation resistance of few-layer graphene (FL…
Jan, 2024
Journal
Using an evolutionary algorithm in combination with first-principles density-functional theory calculations, we identify a two-dimensional (2D) CaP3 monolayer as a new Dirac semimetal due to inversion and nonsymmorphic spatial symmetries of the structure. This new topological material, composed of light elements, exhibits high structural stability (higher than the phase kn…
Jan, 2024
Journal
The rapid development of 6G communications using terahertz (THz) electromagnetic waves has created a demand for highly sensitive THz nanoresonators capable of detecting these waves. Among the potential candidates, THz nanogap loop arrays show promising characteristics but require significant computational resources for accurate simulation. This requirement arises because t…
Jan, 2024
Journal
In the quest for efficient and cost-effective photovoltaic absorber materials beyond silicon, considerable attention has been directed toward exploring alternatives. One such material, zincblende-derived Cu2ZnSnS4 (CZTS), has shown promise due to its ideal band gap size and high absorption coefficient. However, challenges such as structural defects and secondary phase form…
Dec, 2023
Book Chapter
Atomically-thin two-dimensional (2D) materials display widely varying electronic and vibronic properties compared to their bulk counterparts. Laser interactions with 2D materials are central to their development. Here we attempt to overview recent progress and define the current challenges in the broad range of laser interactions involved in the synthesis, processing, and…
Dec, 2023
Journal
Epitaxial thin films of CuMnAs have recently attracted attention due to their potential to host relativistic antiferromagnetic spintronics and exotic topological physics. Here, we report on the structural and electronic properties of a tetragonal CuMnAs thin film studied using scanning tunneling microscopy (STM) and density functional theory (DFT). STM reveals a surface te…