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Monolayer (1L) transition metal dichalcogenides (TMDs) provide a unique opportunity to control the valley degree of freedom of optically excited charge carriers due to the spin-valley locking effect. Despite extensive studies of the…
Hexagonal germanium polytypes have emerged as promising direct-gap semiconductors for silicon-integrated optoelectronics, yet their optical properties remain largely unexplored beyond the well-studied 2H phase. We present a comprehensive…
Doping via electrostatic gating is a powerful and widely used technique to tune the electron densities in layered materials. The microscopic details of how these setups affect the layered material are, however, subtle and call for careful…
Motivated by the recent excitement around the physics of twisted transition metal dichalcogenide (TMD) multilayer systems, we study strongly correlated phases of TMD heterobilayers under the influence of light. We consider both waveguide…
We performed high-throughput density functional theory calculations of optical matrix elements between band edges across a diverse set of non-magnetic two-dimensional monolayers with direct band gaps. Materials were ranked as potential…
Optical properties of semiconducting monolayer transition metal dichalcogenides have received a lot of attention in recent years, following the discovery of the valley selective optical population of either $K_{+}$ or $ K_{-}$ valleys at…
Cooperative optical effects are enabled and controlled by interactions between molecular dipoles, meaning that their mutual orientation is of paramount importance to, for example, superabsorbing light-harvesting antennas. Here we show how…
Monolayer transition metal dichalcogenides (TMDs) are direct gap semiconductors emerging promising applications in diverse optoelectronic devices. To improve performance, recent investigations have been systematically focused on the tuning…
We develop an analytical model to describe sub-bandgap optical absorption in two-dimensional semiconducting transition metal dichalcogenide (s-TMD) nanoflakes. The material system represents an array of few-layer molybdenum disulfide…
The state-of-the-art defect engineering techniques have paved the way to realize novel quantum phases out of pristine materials. Here, through density-functional calculations and model studies, we show that the chain-doped monolayer…
In many atomically thin materials their optical absorption is dominated by excitonic transitions. It was recently found that optical selection rules in these materials are influenced by the band topology near the valleys. We propose that…
Transition metal dichalcogenides (TMDs) have garnered significant research interest due to the variation in band-edge locations within the hexagonal Brillouin zone between single-layer and bulk configurations. In monolayers, the conduction…
The linear absorption spectra in monolayers of transition metal dichalcogenides show pronounced signatures of the exceptionally strong exciton-phonon interaction in these materials. To account for both exciton and phonon physics in such…
Like single perovskites, halide double perovskites (HDP) have truly emerged as efficient optoelectronic materials since they display superior stability and are free of toxicity. However, challenges still exist due to either wide and…
The rutile TiO$_2$ (110) surface reduced by the bridging oxygen vacancy, bridging hydroxyl group or Ti interstitial atom has been investigated by calculating their electronic structures using the density functional theory plus U method. It…
We study the effect of point-defect chalcogen vacancies on the optical properties of monolayer transition metal dichalcogenides using ab initio GW and Bethe-Salpeter equation calculations. We find that chalcogen vacancies introduce…
Topology is being widely adopted to understand and to categorize quantum matter in modern physics. The nexus of topology orders, which engenders distinct quantum phases with benefits to both fundamental research and practical applications…
Structural defects in 2D-transition metal dichalcogenides are critical in modulating their optical and electrical behavior. Nevertheless, precise defect control within the monolayer regime poses a significant challenge. Herein, a…
An anomalous magneto-optical spectrum is discovered for dipolar valley excitons in twisted double layer transition metal dichalcogenides (TMD), where in-plane magnetic field induces a sizable multiplet splitting of exciton states inside the…
Atomically thin transition metal dichalcogenides (TMDs) hold promising potential for applications in optoelectronics. Due to their direct band gap and the extraordinarily strong Coulomb interaction, TMDs exhibit efficient light-matter…