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Stanene is a two-dimensional (2D) buckled honeycomb structure which has been studied recently owing to its promising electronic properties for potential electronic and spintronic applications in nanodevices. In this article, we present a…
Moir\'e patterns are a central motif in van der Waals heterostructures arising from the superposition of two-dimensional (2D) incommensurate lattices. These patterns reveal a wealth of correlated effects, influencing electronic, magnetic,…
Strain engineering is a powerful tool for tuning physical properties of 2D materials, including monolayer transition metal dichalcogenides (TMD) -- direct bandgap semiconductors with strong excitonic response. Here, we demonstrate an…
Two-dimensional (2D) materials have recently been the focus of extensive research. By following a similar trend as graphene, other 2D materials including transition metal dichalcogenides (MX2) and metal mono-chalcogenides (MX) show great…
Due to the absence of interlayer coupling and inversion symmetry, transition metal dichalcogenide (MX$_2$) semiconductor monolayers exhibit novel properties that are distinctly different from their bulk crystals such as direct optical band…
Atomically thin two-dimensional semiconducting transition metal dichalcogenides (TMDs) can withstand large levels of strain before their irreversible damage occurs. This unique property offers a promising route for control of the optical…
Strain engineering is an efficient tool to tune and tailor the electrical and optical properties of 2D materials. The built-in strain can be tuned during the synthesis process of a two dimensional semiconductor, as molybdenum disulfide, by…
We study the strain relaxation mechanisms of Cu on Pd(111) up to the monolayer regime using two different computational methodologies, basin-hopping global optimization and energy minimization with a repulsive bias potential. Our numerical…
We investigate the design of steep-slope metal-oxide-semiconductor field-effect transistors (MOSFETs) exploiting monolayers of transition metal dihalides as channel materials. With respect to other previously proposed steep-slope…
Monolayer transition metal dichalcogenides (TMDs) offer a novel two-dimensional platform for semiconductor devices. One such application, whereby the added low dimensional crystal physics (i.e. optical spin selection rules) may prove TMDs a…
Two-dimensional (2D) bilayers, twisted to particular angles to display electronic flat bands, are being extensively explored for physics of strongly correlated 2D systems. However, the similar rich physics of one-dimensional (1D) strongly…
According to electronic structure theory, bilayer graphene is expected to have anomalous electronic properties when it has long-period moir\'e patterns produced by small misalignments between its individual layer honeycomb lattices. We have…
The experimental observations of many interaction-driven electronic phases in moir\'e superlattices have stimulated intense theoretical and experimental efforts to understand and engineer these correlated physics. Strain is a powerful tool…
Many recent studies show that superconductivity not only exists in atomically thin monolayers but can exhibit enhanced properties such as higher transition temperature and stronger critical field. Nevertheless, besides being air unstable,…
Characterization of strain in two-dimensional (2D) crystals is important for understanding their properties and performance. Using first-principles calculations, we study the effects of uniaxial strain on the Raman-active modes in monolayer…
We report results of density-functional theory calculations on the structural, magnetic, and electronic properties of (1x1)-structures of Co on Cu(001) for coverages up to two monolayers. In particular we discuss the tendency towards phase…
Typical Raman spectra of transition metal dichalcogenides (TMDs) display two prominent peaks, E2g and A1g, that are well separated from each other. We find that these modes are degenerate in bulk WSe2 yielding one single Raman peak. As the…
Due to the strong quantum confinement effect, few-layer {\gamma}-InSe exhibits a layer-dependent bandgap, spanning the visible and near infrared regions, and thus recently draws tremendous attention. As a two-dimensional material, the…
Strain engineering has played a key role in modern silicon electronics, having been introduced as a mobility booster in the 1990s and commercialized in the early 2000s. Achieving similar advances with two-dimensional (2D) semiconductors in…
In our previous study, we have predicted the novel two-dimensional honeycomb monolayers of pnictogen. In particular, the structure and properties of the honeycomb monolayer of nitrogen, which we call nitrogene, are very unusual. In this…