The influence of ripple waves on the band diagram of zigzag strained graphene nanoribbons (GNRs) is analyzed
by utilizing the finite element method. Such waves have their origin in electromechanical effects. With a novel
model, we demonstrate that electron-hole band diagrams of GNRs are highly influenced (i.e. level crossing of the
bands are possible) by two combined effects: pseudo-magnetic fields originating from electroelasticity theory and
external magnetic fields. In particular, we show that the level crossing point can be observed at large external
magnetic fields (B ≈ 100T ) in strained GNRs, when the externally applied tensile edge stress is on the order of
-100 eV/nm and the amplitude of the out-of-plane ripple waves is on the order of 1nm.
RNA molecules are very flexible in nature. This feature allows us to build various motifs which are essential in bionanotechnological applications. Based on our earlier developed models of RNA nanoclusters, in this contribution we analyze the structure and properties of RNA nanotubes in physiological solutions at different concentrations. Our major tool here is the molecular dynamics (MD) method that was implemented by using the NAMD and VMD packages, with which we study the structural and thermal properties of the nanotubes in physiological solutions. In particular, we have analyzed such characteristics as the Root Mean Square Deviation (RMSD), the radius of gyration, the number of hydrogen bonds per base pairs, and the radial distribution function (RDF) of a RNA nanotube at different concentrations of the physiological solution. Furthermore, the number of 23Na+ and 35Cl−ions around the nanotubes within the distance of 5 Å at two different concentrations has also been analyzed in detail. It has been found that the number of ions accumulated around the nanotubes within the particular distance is growing by small amount while the concentrations of the 23Na+ and 35Cl−ions are substantially increased.
We study the coupled electro-mechanical effects in the band structure calculations of low dimensional semiconductor
nanostructures (LDSNs) such as AlN/GaN quantum dots. Some effects in these systems are essentially
nonlinear. Strain, piezoelectric effects, eigenvalues and wave functions of a quantum dot have been used as
tuning parameters for the optical response of LDSNs in photonics, band gap engineering and other applications. However, with a few noticeable exceptions, the influence of piezoelectric effects in the electron wave functions
in Quantum Dots (QDs) studied with fully coupled models has been largely neglected in the literature. In this paper, by using the fully coupled model of electroelasticity, we analyze the piezoelectric effects into the band structure of cylindrical quantum dots. Results are reported for III-V type semiconductors with a major focus given to AlN/GaN based QD systems.
The use of topological phases for the manipulation of electron spins in GaAs quantum dots is a promising
candidate for solid state quantum computation and non-charged based logic devices for projected post-CMOS
technology. A single electron can be trapped and its spin can be manipulated by moving the quantum dot
adiabatically in a closed loop (Berry effect) through the application of gate potentials. In this paper, we present
numerical simulations and analytical expressions for the transition probability of electron spins in single electron
devices for a quantum dot. Using analytical and numerical techniques, we calculate the Berry Phase for both nondegenerate
and degenerate cases. We show that the spin orbit coupling in III-V type semiconductors will enhance
the transition probability of the electron spin over pure Dresselhaus or pure Rashba cases considered separately.
Considering these mechanisms separately however, is useful in that an exact solution exists as determined by
the Feynman disentangling technique. For the most general cases where the solution of the propagator becomes
non-trivial, we carry out the numerical simulations of such propagator.
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