相关论文: Excitons and optical spectra of phosphorene nanori…

By combining density functional theory and nonequilibrium Green's function, we study the electronic and transport properties of monolayer black phosphorus nanoribbons (PNRs). First, we investigate the band-gap of PNRs and its modulation by…

Phosphorene has emerged as an atomically-thin platform for optoelectronics and nanophotonics due to its excellent nonlinear optical properties and the possibility of actively tuning light-matter interactions through electrical doping. While…

We have explored the possibility of using low dimensional phosphorene based nanoscale device for the detection of nitroaromatic based explosives. In this work, we have investigated the structural, electronic, adsorption, and quantum…

By the means of screened exchange density functional theory, we find that the phosphorene nanoribbons with bare zigzag edges that undergo Peierls distortion is a antiferromagnetic semiconductor in which the polarized states are mainly…

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…

Phosphorene is a bidimensional material that has properties useful for semiconductor devices. In this work we studied the electronic and optical properties of this material using the $GW$ approximation and the Bethe-Salpeter equation (BSE)…

Lead-halide perovskite nanocrystals (PNCs) exhibit unique optoelectronic properties, many of which originate from a purported bright-triplet exciton fine-structure. A major impediment to measuring this fine-structure is inhomogeneous…

Linear and nonlinear optical properties of low dimensional nanostructures have attracted a large interest in the scientific community as tools to probe the strong confinement of the electrons and for possible applications in optoelectronic…

Edge-induced gap states in finite phosphorene layers are examined using analytical models and density functional theory. The nature of such gap states depends on the direction of the cut. Armchair nanoribbons are insulating, whereas…

Atomic and electronic structures of phosphorene nanoribbons are studied within density functional theory. These novel materials present different physical phenomena expected in two very different physical systems: one dimensional metallic…

We present calculations of the optical absorption and electro-absorption spectra of graphene nanoribbons (GNRs) using a $\pi-$electron approach, incorporating long-range Coulomb interactions within the Pariser-Parr-Pople (PPP) model…

Excitonic spectra of armchair graphene nanoribbons (AGNRs) obtained from a full many-body exact diagonalization of the Hubbard model are reported for both longitudinally and transversely polarized photons, thus providing a complete survey…

We perform a comprehensive first-principles study of the electronic properties of phosphorene nanoribbons, phosphorene nanotubes, multilayer phosphorene, and heterobilayers of phosphorene and two-dimensional (2D) transition metal…

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…

Monolayer and few-layer phosphorene are anisotropic quasi-two-dimensional (quasi-2D) van der Waals (vdW) semiconductors with a linear-dichroic light-matter interaction and a widely-tunable direct-band gap in the infrared frequency range.…

Exciton effects are studied in single-wall boron-nitride (BN) nanotubes. Linear absorption spectra are calculated with changing the chiral index of the zigzag nanotubes. We consider the extended Hubbard model with atomic energies at the…

A new interpretation of the optical and energy-loss spectra of hexagonal boron nitride is provided based on first-principle calculations. We show that both spectra cannot be explained by independent-particle transitions but are strongly…

We present an \textit{ab initio} method to calculate phonon-assisted absorption and emission spectra in the presence of strong excitonic effects. We apply the method to bulk hexagonal BN which has an indirect band gap and is known for its…

Spectral and transport properties of electrons in confined phosphorene systems are investigated in a five hopping parameter tight-binding model, using analytical and numerical techniques. The main emphasis is on the properties of the…

We investigate from first principles the optoelectronic properties of nanometer-sized armchair graphene nanoribbons (GNRs). We show that many-body effects are essential to correctly describe both energy gaps and optical response. As a…