相关论文: Halogenation of SiC for band-gap engineering and e…
Excitons, Coulomb-bound electron-hole pairs, are the fundamental excitations governing the optoelectronic properties of semiconductors. While optical signatures of excitons have been studied extensively, experimental access to the excitonic…
Cesium lead bromide (CsPbBr$_3$) is a representative material of the emerging class of lead halide perovskite semiconductors that possess remarkable optoelectronic properties. Its optical properties in the vicinity of the band gap energy…
Harnessing the optoelectronic response of organic semiconductors requires a thorough understanding of the fundamental light-matter interaction that is dominated by the excitation of correlated electron-hole pairs, i.e. excitons. The nature…
Using first-principles density-functional theory and many-body excited-state calculations, we study the quasiparticle band structure, optical and excitonic properties of two half-Heusler (HH) compounds, namely LiZnAs and ScAgC, for…
Diverse magnetic and electronic properties of halogen-adsorbed silicene are investigated by the first-principles theoretical framework, including the adatom-diversified geometric structures, the atom-dominated energy bands, the spatial spin…
At very high energies or small values of Bjorken x, the density of partons, per unit transverse area, in hadronic wavefunctions becomes very large leading to a saturation of partonic distributions. When the scale corresponding to the…
The absorption and emission spectra of silicon nanocrystals up to 1 nm diameter including geometry optimization and the many-body effects induced by the creation of an electron-hole pair have been calculated within a first-principles…
One of the challenges of excitonic materials is the accurate determination of the exciton binding energy and bandgap. The difficulty arises from the overlap of the discrete and continuous excitonic absorption at the band edge. Many…
Two-dimensional group-VI transition metal dichalcogenide semiconductors, such as MoS2, WSe2 and others, exhibit strong light-matter coupling and possess direct band gaps in the infrared and visible spectral regimes, making them potentially…
Lead iodide perovskites have attracted considerable interest in the upcoming photovoltaic technologies and optoelectronic devices. Therefore, an accurate theoretical description of the electronic and optical properties especially to…
Silver chloride is a material that has been investigated and used for many decades. Of particular interest are its optical properties, but only few fundamental theoretical studies exist. We present first-principles results for the optical…
We analyze the measured optical conductivity spectra using the density-functional-theory-based electronic structure calculation and density-matrix renormalization group calculation of an effective model. We show that, in contrast to a…
The electronic and optical properties of 2D hexagonal boron nitride are studied using first principle calculations. GW and BSE methods are employed in order to predict with better accuracy the excited and excitonic properties of this…
Semiconducting MXenes are an intriguing two-dimensional (2D) material class with promising electronic and optoelectronic properties. Here, we focused on recently prepared Hf-based MXenes, namely Hf$_3$C$_2$O$_2$ and Hf$_2$CO$_2$. Using the…
An exciton, a two-body composite quasiparticle formed of an electron and hole, is a fundamental optical excitation in condensed-matter systems. Since its discovery nearly a century ago, a measurement of the excitonic wavefunction has…
Low-dimensional materials differ from their bulk counterpart in many respects. In particular, the screening of the Coulomb interaction is strongly reduced, which can have important consequences such as the significant increase of exciton…
Bound electron-hole excitonic states are generally not expected to form with charges of negative effective mass. We identify such excitons in a single layer of the semiconductor WSe2, where they give rise to narrow-band upconverted…
Polaritons, formed as a result of strong hybridization of matter with light, are promising for important applications including organic solar cells, optical logic gates, and qubits. Owing to large binding energies of Frenkel excitons…
We report a comprehensive first-principles study of the electronic and optical properties of recently identified exfoliable one-dimensional semiconducting materials, focusing on chalcogenide-based atomic chains derived from van der…
Monolayer C$_3$N is an emerging two-dimensional indirect band gap semiconductor with interesting mechanical, thermal, and electronic properties. In this work we present a description of C$_3$N electronic and dielectric properties, focusing…