Yurii E. Lozovik

Minimizing light reflection from dielectric textured surfaces

In this paper, we consider antireflective properties of textured surfaces for all texture size-to-wavelength ratios. Existence and location of the global reflection minimum with respect to geometrical parameters of the texture is a subject of our study. We also investigate asymptotic behavior of the reflection with the change of the texture geometry for the long and short wavelength limits. As a particular example, we consider silicon-textured surfaces used in solar cells technology. Most of our results are obtained with the help of the finite-difference time-domain (FDTD) method. We also use effective medium theory and geometric optics approximation for the limiting cases. The FDTD results for these limits are in agreement with the corresponding approximations.

Nanomachines based on carbon nanotubes

Abstract The possibility for double-wall carbon nanotube to operate as the bolt and nut pair is studied. The barriers for relative motions of walls along the helical “thread” line and for jumps on neighbor helical lines are calculated as functions of wall lengths for the set of double-wall carbon nanotubes. The dynamics of relative motion of carbon nanotube walls along the helical line under the action of external forces is considered. Perforated nanodrill, variable nanoresistor and other nanotube based mechanical nanodevices using these motion are proposed. Possible operation modes of proposed nanodevices are discussed.

Fast diffusion of a graphene flake on a graphene layer

Diffusion of a graphene flake on a graphene layer is analyzed and a new diffusion mechanism is proposed for the system under consideration. According to this mechanism, rotational transition of the flake from commensurate to incommensurate states takes place with subsequent simultaneous rotation and translational motion until the commensurate state is reached again, and so on. The molecular dynamics simulations and analytic estimates based on ab initio and semi-empirical calculations demonstrate that the proposed diffusion mechanism is dominant at temperatures T ~ Tcom, where Tcom corresponds to the barrier for transitions of the flake between adjacent energy minima in the commensurate states. For example, for the flake consisting of ~ 40, 200 and 700 atoms the contribution of the proposed diffusion mechanism through rotation of the flake to the incommensurate states exceeds that for diffusion of the flake in the commensurate states by one-two orders of magnitude at temperatures 50 - 150 K, 200 - 600 K and 800 - 2400 K, respectively. The possibility to experimentally measure the barriers to relative motion of graphene layers based on the study of diffusion of a graphene flake is considered. The results obtained are also relevant for understanding of dynamic behavior of polycyclic aromatic molecules on graphene and should be qualitatively valid for a set of commensurate adsorbate-adsorbent systems.

Magnetoplasmons in layered graphene structures

We calculate the dispersion equations for magnetoplasmons in a single layer, a pair of parallel layers, a graphite bilayer, and a superlattice of graphene layers in a perpendicular magnetic field. We demonstrate the feasibility of a drift-induced instability of magnetoplasmons. The magnetoplasmon instability in a superlattice is enhanced compared to a single graphene layer. The energies of the unstable magnetoplasmons could be in the terahertz (THz) part of the electromagnetic spectrum. The enhanced instability makes superlattice graphene a potential source of THz radiation.

Theoretical limit of localized surface plasmon resonance sensitivity to local refractive index change and its comparison to conventional surface plasmon resonance sensor.

In this paper, the theoretical sensitivity limit of the localized surface plasmon resonance (LSPR) to the surrounding dielectric environment is discussed. The presented theoretical analysis of the LSPR phenomenon is based on perturbation theory. Derived results can be further simplified assuming quasistatic limit. The developed theory shows that LSPR has a detection capability limit independent of the particle shape or arrangement. For a given structure, sensitivity is directly proportional to the resonance wavelength and depends on the fraction of the electromagnetic energy confined within the sensing volume. This fraction is always less than unity; therefore, one should not expect to find an optimized nanofeature geometry with a dramatic increase in sensitivity at a given wavelength. All theoretical results are supported by finite-difference time-domain calculations for gold nanoparticles of different geometries (rings, split rings, paired rings, and ring sandwiches). Numerical sensitivity calculations based on the shift of the extinction peak are in good agreement with values estimated by perturbation theory. Numerical analysis shows that, for thin (≤10 nm) analyte layers, sensitivity of the LSPR is comparable with a traditional surface plasmon resonance sensor and LSPR has the potential to be significantly less sensitive to temperature fluctuations.

Modeling of graphene-based NEMS

The possibility of designing nanoelectromechanical systems based on relative motion or vibrations of graphene layers is analyzed. Ab initio and empirical calculations of the potential relief of the interlayer interaction energy of bilayer graphene are performed. A new potential based on the density functional theory calculations with the dispersion correction is developed to reliably reproduce the potential relief of the interlayer interaction energy of bilayer graphene. Telescopic oscillations and small relative vibrations of graphene layers are investigated using molecular dynamics simulations. It is shown that these vibrations are characterized with small Q-factor values. The perspectives of nanoelectromechanical systems based on relative motion or vibrations of graphene layers are discussed.

Commensurate-incommensurate phase transition in bilayer graphene

A commensurate-incommensurate phase transition in bilayer graphene is investigated in the framework of the Frenkel-Kontorova model extended to the case of two interacting chains of particles. Analytic expressions are derived to estimate the critical unit elongation of one of the graphene layers at which the transition to the incommensurate phase takes place, the length and formation energy of incommensurability defects (IDs), and the threshold force required to start relative motion of the layers on the basis of dispersion-corrected density functional theory (DFT-D) calculations of the interlayer interaction energy as a function of the relative position of the layers. These estimates are confirmed by atomistic calculations using the DFT-D based classical potential. The possibility to measure the barrier for relative motion of graphene layers by the study of formation of IDs in bilayer graphene is discussed.

Nanoelectromechanical systems based on multi-walled nanotubes: nanothermometer, nanorelay, and nanoactuator

We report on three new types of nanoelectromechanical systems based on carbon nanotubes: an electromechanical nanothermometer, a nanorelay and a nanomotor. The nanothermometer can be used for accurate temperature measurements in spatially localized regions with dimensions of several hundred nanometers. The nanorelay is a prototype of a memory cell, and the nanoactuator can be used for transformation of the forward force into the relative rotation of the walls. Relative motion of the walls in these nanosystems is defined by the shape of the interwall interaction energy surface. Ab initio and semi-empirical calculations have been used to estimate the operational characteristics and dimensions of these nanosystems.

Magnetism and Josephson effect in a coupled quantum well electron-hole system

Abstract We investigate the magnetic properties and Josephson-type effects in a two-layer system of spatially separated electrons (e) and holes (h) with pairing in coupled quantum wells, taking into account interlayer tunnelling. If the external magnetic field is lower than the critical one (Hc1), the system is a weak diamagnet (the magnetic field between the layers of the system is weakened by the currents flowing along the layers). If the external magnetic field exceeds Hcl, the ground state of the system is the mixed state: vortices of the magnetic field (analogous to those in the superconducting Josephson contact) penetrate into the space between the layers. The analog of the Josephson effect in the system of spatially separated electrons and holes with pairing is also considered.

Properties and nanotechnological applications of nanotubes

Possible applications of carbon nanotubes in nanoelectromechanical systems (NEMSs) based on rela-tive motion and interaction of nanotubes walls are considered for wide set of NEMS. This set includes nanomotors, nanoactuator, nanorelay, variable nanoresistor, gigahertz oscillator, nanothermometer and so on. The nanotube properties and theory for relative motion and interaction of nanotubes walls is de-scribed. The principal schemes, operation principles, and methods of actuation of the considered NEMS are considered. The development of nanotechnological techniques which are necessary for production of nanotube-baseb NEMS are discussed.