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Project Summary: An understanding of the surface chemistry of substrates used as support for 2D-chalcogenide growth is essential for controlling the synthesis of these materials. As such, we need computational methods that can be used to study the reaction dynamics of these support materials.
Project Summary: The performance of nanoscale metals in applications such as plasmonics, photodynamic therapy, and photocatalysis is influenced by their ability to absorb and transduce energy to their surroundings. In this study, we measured the non-equilibrium carrier dynamics in an air-stable 2-D polar metal heterostructures. Using transient absorption spectroscopy, the mechanism for energy dissipation was determined to involve contributions from the various components of the heterostructure, including the 2-D metal layer, SiC substrate, and graphene capping layer.
Project Summary: Metaheuristic algorithms such as simulated annealing (SA) has been implemented for optimization in combinatorial problems, especially for discreet problems. SA employs a stochastic search, where high-energy transitions (“hill-climbing”) are allowed with a temperature-dependent probability to escape local optima.
Project Summary: Realization of wafer-scale single-crystal films of transition metal dichalcogenides (TMDs) such as WS2 requires epitaxial growth and coalescence of oriented domains to form a continuous monolayer.
What Has Been Achieved: we carried out a careful study of the effect of 3 different capping layers on interfacial superconductivity in FeSe/SrTiO3 heterostructures.
Project Summary: The sticking coefficients of thermally evaporated chalcogen elements selenium and tellurium were experimentally determined as a function of temperature. Their direct and quantitative determination provides important insights to comprehend and
Project Summary: The first ReaxFF force field developed for 2D-WSe2 provides the community with a highly efficient means that describe material growth, phase transitions, defect formation and migration and thus can provide valuable atomistic insights into experimental efforts on growth, phase, and defect engineering as a function of the local chemical environment. This potential can elucidate further the morphological evolution of monolayers in different environments in terms of loading conditions and defect concentrations/distributions.
Project Summary: The interplay between topology in momentum space and topology in real space creates a vibrant playground for studying emergent phenomena in condensed matter physics. Topology in momentum space manifests in nontrivial band structures and is directly revealed by the quantum anomalous Hall effect (QAHE) observed in magnetically-doped topological insulators (TIs).
Project Summary: The discovery of Weyl semimetals has fueled tremendous interest in condensed-matter physics because they provide not only model platforms for studying concepts in high-energy physics but also a means of realizing technologically relevant exotic quantum states. Although Weyl semimetals have been demonstrated in several nonmagnetic and magnetic materials, one challenge in the current study of Weyl fermion physics is the lack of “ideal” Weyl semimetals.
Project Summary: Recent research on intrinsic magnetic topological insulators MnBi2Te4 sheds new light on the observation of a high-temperature quantum anomalous Hall effect (QAH) effect.