ترغب بنشر مسار تعليمي؟ اضغط هنا

Electronic and optical properties of carbon nanodisks and nanocones

118   0   0.0 ( 0 )
 نشر من قبل Pablo Ulloa MSc
 تاريخ النشر 2013
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

A theoretical study of the electronic properties of nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with different sizes and topologies. A discrete position approximation is used to describe the electronic states taking into account the effect of the overlap integral to first order. For small finite systems, both total and local densities of states depend sensitively on the number of atoms and characteristic geometry of the structures. Results for the local densities of charge reveal a finite charge distribution around some atoms at the apices and borders of the cone structures. For structures with more than 5000 atoms, the contribution to the total density of states near the Fermi level essentially comes from states localized at the edges. For other energies the average density of states exhibits similar features to the case of a graphene lattice. Results for the absorption spectra of nanocones show a peculiar dependence on the photon polarization in the infrared range for all investigated structures.



قيم البحث

اقرأ أيضاً

The phonon properties, electronic structures and optical properties of novel carbon allotropes, such as monolayer penta-graphene (PG), double-layer PG and T12-carbon, were explored by means of first-principles calculations. Results of phonon calculat ions demonstrate that these exotic carbon allotropes are dynamically stable. In addition, the bulk T12 phase is an indirect-gap semiconductor having a bandgap of ~4.89 eV. Whereas the bulk material transforms to a 2D phase, the monolayer and double-layer PG become quasi-direct gap semiconductors with smaller band gaps of ~2.64 eV and ~3.27eV, respectively. Furthermore, the partial charge density analysis indicates that the 2D phases retain part of the electronic characteristics of the T12 phase. The linear photon energy-dependent dielectric functions and related optical properties including refractive index, extinction coefficient, absorption spectrum, reflectivity, and energy loss spectrum were also computed and discussed. The structural estimation obtained as well as other findings are in agreement with existing theoretical data. The calculated results are beneficial to the practical applications of these exotic carbon allotropes in optoelectronics and electronics.
A systematic review is made for the AA-, AB- and ABC-stacked graphites. The generalized tight-binding model, accompanied with the effective-mass approximation and the Kubo formula, is developed to investigate electronic and optical properties in the presence/absence of a uniform magnetic field. The unusual electronic properties cover the stacking-dependent Dirac-cone structures, the significant energy widths along the stacking direction, the Landau subbands (LSs) crossing the Fermi level, the $B_0$-dependent LS energy spectra with crossings and anti-crossings, and the monolayer- or bilayer-like Landau wavefunctions. There exist the configuration-created special structures in density of states and optical spectra. Three kinds of graphites quite differ from one another in the available inter-LS excitation channels, including the number, frequency, intensity and structures of absorption peaks. The dimensional crossover presents the main similarities and differences between graphites and graphenes; furthermore, the quantum confinement enriches the magnetic quantization phenomena in carbon nanotubes and graphene nanoribbons. The cooperative/competitive relations among the interlayer atomic interactions, dimensions and magnetic quantization are responsible for the diversified essential properties. Part of theoretical predictions are consistent with the experimental measurements.
A theory of the electronic structure and excitonic absorption spectra of PbS and PbSe nanowires and nanorods in the framework of a four-band effective mass model is presented. Calculations conducted for PbSe show that dielectric contrast dramatically strengthens the exciton binding in narrow nanowires and nanorods. However, the self-interaction energies of the electron and hole nearly cancel the Coulomb binding, and as a result the optical absorption spectra are practically unaffected by the strong dielectric contrast between PbSe and the surrounding medium. Measurements of the size-dependent absorption spectra of colloidal PbSe nanorods are also presented. Using room-temperature energy-band parameters extracted from the optical spectra of spherical PbSe nanocrystals, the theory provides good quantitative agreement with the measured spectra.
The electronic and optical response of Bernal stacked bilayer graphene with geometry modulation and gate voltage are studied. The broken symmetry in sublattices, one dimensional periodicity perpendicular to the domain wall and out-of-plane axis intro duces substantial changes of wavefunctions, such as gapless topological protected states, standing waves with bonding and anti-bonding characteristics, rich structures in density of states and optical spectra. The wavefunctions present well-behaved standing waves in pure system and complicated node structures in geometry-modulated system. The optical absorption spectra show forbidden optical excitation channels, prominent asymmetric absorption peaks, and dramatic variations in absorption structures. These results provide that the geometry-modulated structure with tunable gate voltage could be used for electronic and optical manipulation in future graphene-based devices.
222 - Xiao Lin , Yang Xu , Shisheng Lin 2012
Optical and electronic properties of two dimensional few layers graphitic silicon carbide (GSiC), in particular monolayer and bilayer, are investigated by density functional theory and found different from that of graphene and silicene. Monolayer GSi C has direct bandgap while few layers exhibit indirect bandgap. The bandgap of monolayer GSiC can be tuned by an in-plane strain. Properties of bilayer GSiC are extremely sensitive to the interlayer distance. These predictions promise that monolayer GSiC could be a remarkable candidate for novel type of light-emitting diodes utilizing its unique optical properties distinct from graphene, silicene and few layers GSiC.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا