Related papers: Multilayers black phosphorus: from tight-binding t…
We review the electronic properties of bilayer graphene, beginning with a description of the tight-binding model of bilayer graphene and the derivation of the effective Hamiltonian describing massive chiral quasiparticles in two parabolic…
Phosphorene is a new family member of two-dimensional materials. We observed strong and highly layer-dependent photoluminescence in few-layer phosphorene (2 to 5 layers). The results confirmed the theoretical prediction that few-layer…
Fundamental insight into lattice dynamics and phonon transport is critical to the efficient manipulation of heat flow, which is one of the appealing thermophysical problems with enormous practical implications. Phosphorene, a novel…
We report on an effective Hubbard Hamiltonian approach for the study of electronic correlations in C$_{20}$ isomers, cage, bowl and ring, with quantum Monte Carlo and exact diagonalization methods. The tight-binding hopping parameter, $t$,…
Black Phosphorus (BP) is unique among layered materials owing to its homonuclear lattice and strong structural anisotropy. While recent investigations on few layers BP have extensively explored the in-plane (a,c) anisotropy, much less…
We performed density functional theory calculations with self-consistent van der Waals corrected exchange-correlation (XC) functionals to capture the structure of black phosphorus and twelve monochalcogenide monolayers and find the…
The two-dimensional semiconductor phosphorene has attracted extensive research interests for potential applications in optoelectronics, spintronics, catalysis, sensors, and energy conversion. To harness phosphorene's potential requires a…
Porphyrins are organic molecules that exhibit excellent opto-electronics properties, making them suitable for a variety of applications. Nevertheless, their functionality strongly depends on the surface onto which they are deposited, and on…
The layered graphene systems exhibit the rich and unique excitation spectra arising from the electron-electron Coulomb interactions. The generalized tight-binding model is developed to cover the planar/buckled/cylindrical structures,…
Black phosphorus stands out from the family of two-dimensional materials as a semiconductor with a direct, layer-dependent bandgap in energy corresponding to the spectral range from the visible to the mid-infrared (mid-IR), as well as many…
Complex molecules and mesoscopic structures are naturally described by general networks of elementary building blocks and tight-binding is one of the simplest quantum model suitable for studying the physical properties arising from the…
Through infrared spectroscopy, we systematically study the pressure effect on electronic structures of few-layer black phosphorus (BP) with layer number ranging from 2 to 13. We reveal that the pressure-induced shift of optical transitions…
We report on experimental demonstration of a new type of nanoelectromechanical resonators based on black phosphorus crystals. Facilitated by a highly efficient dry transfer technique, crystalline black phosphorus flakes are harnessed to…
Using first-principles calculations, we have investigated the evolution of band-edges in few-layer phosphorene as a function of the number of P layers. Our results predict that monolayer phosphorene is an indirect band gap semiconductor and…
Tight-binding models provide a conceptually transparent and computationally efficient method to represent the electronic properties of materials. With AFLOW$\pi$ we introduce a framework for high-throughput first principles calculations…
We calculate the excitonic spectrum of few-layer black phosphorus by direct diagonalization of the effective mass Hamiltonian in the presence of an applied in-plane electric field. The strong attractive interaction between electrons and…
We present several applications of the layered electron gas model to electron energy loss spectroscopy of free-standing films consisting of $N$ graphene layers in a scanning transmission electron microscope. Using a two-fluid model for the…
The ordered adsorbate layer Sn/Si(111) $(\sqrt 3 \times \sqrt 3)$ with coverage of one third of a monolayer is considered as a realization of strong electronic correlation in surface physics. Our theoretical analysis shows that…
Light properties in the mid-infrared can be controlled at a deep subwavelength scale using hyperbolic phonons-polaritons (HPPs) of hexagonal boron nitride (h-BN). While propagating as waveguided modes HPPs can concentrate the electric field…
An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The…