Anisotropic Optical and Vibrational Properties of GeS

The optical response of bulk germanium sulfide (GeS) is investigated systematically using different polarization-resolved experimental techniques, such as photoluminescence (PL), reflectance contrast (RC), and Raman scattering (RS). It is shown that while the low-temperature (T = 5 K) optical band-gap absorption is governed by a single resonance related to the neutral exciton, the corresponding emission is dominated by the disorder/impurity- and/or phonon-assisted recombination processes. Both the RC and PL spectra are found to be linearly polarized along the armchair direction. The measured RS spectra over a broad range from 5 to 300 K consist of six Raman peaks identified with the help of Density Functional Theory (DFT) calculations: Ag1, Ag2, Ag3, Ag4, B1g1, and B1g2, which polarization properties are studied under four different excitation energies. We found that the polarization orientations of the Ag2 and Ag4 modes under specific excitation energy can be useful tools to determine the GeS crystallographic directions: armchair and zigzag.

Anisotropic Optical And Vibrational Properties Of GeS

The optical response of bulk germanium sulfide (GeS) is investigated systematically using different polarization-resolved experimental techniques, such as photoluminescence (PL), reflectance contrast (RC), and Raman scattering (RS). It is shown that while the low-temperature (T=5 K) optical band-gap absorption is governed by a single resonance related to the neutral exciton, the corresponding emission is dominated by the disorder/impurity- and/or phonon-assisted recombination processes. Both the RC and PL spectra are found to be linearly polarized along the armchair direction. The low and room (T=300 K) temperature RS spectra consist of six Raman peaks identified with the help of Density Fuctional Theory (DFT) calculations: Ag1, Ag2, Ag3, Ag4, B1g1, and B1g2, which polarization properties are studied under four different excitation energies. We found that the polarization orientations of the Ag2 and Ag4 modes under specific excitation energy can be useful tools to determine the GeS crystallographic directions: armchair and zigzag.

Regularities of Electrical Conductivity of Monolayer Graphene Nanomesh with Round Holes

This paper studies graphene nanomesh with different neck width is the smallest distance between two neighboring holes. The electrical properties of graphene nanomesh with circular holes were calculated in dependence on its neck width. For the considered structures energetical characteristics including energy gap (Egap), Fermi level (Ef), and density of electron states (DOS) were found. It was established that graphene nanomesh demonstrated both metallic and semiconductor types of conductivity when the neck width was increased along the zigzag direction. In the case of increasing the neck width along armchair direction, graphene nanomesh demonstrated only a metallic type of conductivity. It was observed the anisotropy of electrical conductivity depending on the direction along which the current transfer was carried out.

Effects of temperature and repeat layer spacing on mechanical properties of graphene/polycrystalline copper nanolaminated composites under shear loading

In the present study, the characteristics of graphene/polycrystalline copper nanolaminated (GPCuNL) composites under shear loading are investigated by molecular dynamics simulations. The effects of different temperatures, graphene chirality, repeat layer spacing, and grain size on the mechanical properties, such as failure mechanism, dislocation, and shear modulus, are observed. The results indicate that as the temperature increases, the content of Shockley dislocations will increase and the maximum shear stress of the zigzag and armchair directions also decreases. The mechanical strength of the zigzag direction is more dependent on the temperature than that of the armchair direction. Moreover, self-healing occurs in the armchair direction, which causes the shear stress to increase after failure. Furthermore, the maximum shear stress and the shear strength of the composites decrease with an increase of the repeat layer spacing. Also, the shear modulus increases by increasing the grain size of copper.

Strain-tunable electronic structure of two-dimensional monolayer SiP

The 2D monolayer [Formula: see text]-SiP has a honeycomb lattice and an intrinsic indirect band gap. Herein, the density functional theory calculations are performed to modulate the electronic structure of 2D monolayer [Formula: see text]-SiP by applying strains. The band gap of monolayer [Formula: see text]-SiP is monotonously reduced by the strains. More interestingly, a direct band gap is more likely to be achieved by applying strains along the armchair direction than along the zigzag direction. Finally, 2D monolayer [Formula: see text]-SiP can possess a tunable direct band gap of 1.57–0.73 eV (HSE06) and considerable visible light absorption index, by applying compression strains of −6–−10% along the armchair direction. The work provides a route of modulating the electronic and optical properties of monolayer [Formula: see text]-SiP, which extends its application range for various fields such as electronic devices and solar energy conversion.

Mild lipid extraction and anisotropic cell membrane penetration of α-phase phosphorene carbide nanoribbons by molecular dynamics simulation studies

α-PC penetrates the interior of membrane efficiently only along its zigzag direction rather than its armchair direction.

Impacts of uniaxial strain on optical properties of graphene by first principles

The impacts of strain along the zigzag and armchair directions on optical properties of graphene have been investigated theoretically by first principles. The relative changes of the refractive index achieve up to 1 with increasing polarized angle at some frequency points for both cases. It must be noted that strain along the armchair direction results in an additional infrared absorption peak at 1511[Formula: see text]cm[Formula: see text], because the electron concentration is inhomogeneous at the direction of atomic vibration. Thus, this work paves the way of strained graphene application in identifying polarization of light and infrared sensors in near future.

Самоиндуцированная прозрачность в монослое черного фосфора

A theory of the optical soliton of self-induced transparency (SIT) in a black phosphorus monolayer (phosphorene) has been developed. Explicit analytical expressions describing the surface soliton in phosphorene and other anisotropic two-dimensional materials are obtained. It is shown that the anisotropic phosphorene conductivity leads to exponential damping of the amplitude of the soliton of the surface wave, which strongly depends on the direction of pulse propagation. The maximum damping of the SIT soliton amplitude takes place in the “armchair” direction of phosphorene.

Efficient selection methods for black phosphorene nanoribbons

Anisotropic bending stiffness of black phosphorene enables it easily to be folded, wrapped or scrolled along the armchair direction for efficient selection.

Theoretical study of the bandgap regulation of a two-dimensional GeSn alloy under biaxial strain and uniaxial strain along the armchair direction

The combination of alloying Sn and applying an external strain is an efficient way to tune the bandgap of a two-dimensional GeSn alloy.