相关论文: Stacking defects in GaP nanowires: Electronic stru…
In an ideal InAs/GaSb bilayer of appropriate dimension in-plane electron and hole bands overlap and hybridize, and a topologically non-trivial, or quantum spin Hall (QSH) insulator, phase is predicted to exist. The in-plane dispersion's…
Structural, electronic and thermodynamic properties of native defects in GaS and GaSe monolayers are investigated by means of accurate ab-initio calculations. Based on their charge transition levels we assess the influence of the studied…
This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…
Nonlinear effects in emission and absorption spectra of gaseous systems are considered. It is shown that level splitting can be detected spectroscopically even if it is below the Doppler width. Conditions for distinguishing interference…
Based on first-principles calculations we showed that superlattices of periodically repeated junctions of hydrogen saturated silicon nanowire segments having different lengths and diameters form multiple quantum well structures. The band…
In this paper, theoretically, the characteristics matrix method is employed to investigate and compare the properties of the band gaps of the one-dimensional ternary and binary lossy photonic crystals which are composed of double-negative…
Electronic structures of graphene sheet with different defective patterns are investigated, based on the first principles calculations. We find that defective patterns can tune the electronic structures of the graphene significantly.…
The stability and electronic structure of a single monatomic Al wire has been studied using the ab initio pseudopotential method. The Al wire undergoes two structural rearrangements under compression, i.e., zigzag configurations at angles…
We determine atomic and electronic structure, formation energy, stability and magnetic properties of native point defects, such as Gallium (Ga) and Nitrogen (N) vacancies in bulk and at non-polar (10$\overline{1}$0) surface of wurtzite…
Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the…
The effects of strains on the low-energy electronic properties of double-Weyl phases are studied in solids and cold-atom optical lattices. The principal finding is that deformations do not couple, in general, to the low-energy effective…
The role of graded interfaces between materials in a cylindrical free-standing quantum wire with longitudinal heterostructures is theoretically investigated, by solving the Schr\"odinger equation within the effective mass approximation.…
Defect modes are investigated in a band gap of an electrically tunable one-dimensional photonic crystal infiltrated with a twisted-nematic liquid crystal (1D PC/TN). Their frequency shift and interference under applied voltage are studied…
Many classes of two-dimensional (2D) materials have emerged as potential platforms for novel electronic and optical devices. However, the physical properties are strongly influenced by nanoscale heterogeneities in the form of edges, grain…
Combining a classical force field, a tight-binding model, and first-principles calculations, we have studied structural, electronic, and optical properties of double-walled carbon nanotube (DWNT) bundles under hydrostatic pressure. We find…
It is well-known that in two dimensions Turing systems produce spots, stripes and labyrinthine patterns, and in three dimensions lamellar and spherical structures or their combinations are observed. We study transitions between these states…
By means of a multi-scale first-principles approach, a description of the local electronic structure of two-dimensional and narrow phosphorene sheets with various types of modifications is presented. First, a rational argument based on the…
The evolution of electronic structure of graphene nanoribbons (GNRs) as a function of the number of layers stacked together is investigated using \textit{ab initio} density functional theory (DFT) including interlayer van der Waals…
In this paper we present a thorough first-principles based density functional theory study of the structural stability, electronic, magnetic, and optical properties of pristine and doped gallium phosphide (GaP) monolayers. The pristine GaP…
Spatial fluctuations of the effective pairing interaction between electrons in a superconductor induce variations of the order parameter which in turn lead to significant changes in the density of states. In addition to an overall reduction…