Publisher's Note: Electronic structure and carrier transfer in B-DNA monomer polymers and dimer polymers: Stationary and time-dependent aspects of a wire model versus an extended ladder model [Phys. Rev. E 94, 062403 (2016)].

This corrects the article DOI: 10.1103/PhysRevE.94.062403.

Periodic, quasiperiodic, fractal, Kolakoski, and random binary polymers: Energy structure and carrier transport.

We study periodic, quasiperiodic (Thue-Morse, Fibonacci, period doubling, Rudin-Shapiro), fractal (Cantor, generalized Cantor), Kolakoski, and random binary sequences using a tight-binding wire model, where a site is a monomer (e.g., in DNA, a base pair). We use B-DNA as our prototype system. All sequences have purines, guanine (G) or adenine (A), on the same strand, i.e., our prototype binary alphabet is {G,A}. Our aim is to examine the influence of sequence intricacy and magnitude of parameters on energy structure, localization, and charge transport. We study quantities such as autocorrelation function, eigenspectra, density of states, Lyapunov exponents, transmission coefficients, and current-voltage curves. We show that the degree of sequence intricacy and the presence of correlations decisively affect the aforementioned physical properties. Periodic segments have enhanced transport properties. Specifically, in homogeneous sequences transport efficiency is maximum. There are several deterministic aperiodic sequences that can support significant currents, depending on the Fermi level of the leads. Random sequences is the less efficient category.

Electronic structure and charge transport properties of atomic carbon wires.

Atomic carbon wires represent the ultimate one-atom-thick one-dimensional structure. We use a Tight-binding (TB) approach to determine the electronic structure of polyynic and cumulenic carbynes, in terms of their dispersion relations (for cyclic boundaries), eigenspectra (for fixed boundaries) and density of states (DOS). We further derive the transmission coefficient at zero-bias by attaching the carbynes to semi-infinite metallic leads, and demonstrate the effect of the coupling strength and asymmetry to the transparency of the system to incident carriers. Finally, we determine the current-voltage (I-V) characteristics of carbynes and study the effect of factors such as the weakening of the coupling of the system to one of the leads, the relative position of the Fermi levels of the carbyne and the leads, the leads' bandwidth and, finally, the difference in the energy structure between the leads. Our results confirm and reproduce some of the most recent experimental findings.

Wire and extended ladder model predict THz oscillations in DNA monomers, dimers and trimers.

We call monomer a B-DNA base pair and study, analytically and numerically, electron or hole oscillations in monomers, dimers and trimers. We employ two tight binding (TB) approaches: (I) at the base-pair level, using the on-site energies of the base pairs and the hopping parameters between successive base pairs i.e. a wire model, and (II) at the single-base level, using the on-site energies of the bases and the hopping parameters between neighbouring bases, specifically between (a) two successive bases in the same strand, (b) complementary bases that define a base pair, and (c) diagonally located bases of successive base pairs, i.e. an extended ladder model since it also includes the diagonal hoppings (c). For monomers, with TB II, we predict periodic carrier oscillations with frequency [Formula: see text]-550 THz. For dimers, with TB I, we predict periodic carrier oscillations with [Formula: see text]-100 THz. For trimers made of identical monomers, with TB I, we predict periodic carrier oscillations with [Formula: see text]-33 THz. In other cases, either with TB I or TB II, the oscillations may be not strictly periodic, but Fourier analysis shows similar frequency content. For dimers and trimers, TB I and TB II are successfully compared giving complementary aspects of the oscillations.

Publisher's Note: Unbiased charge oscillations in B-DNA: Monomer polymers and dimer polymers [Phys. Rev. E 92, 032725 (2015)].

This corrects the article DOI: 10.1103/PhysRevE.92.032725.

Electronic structure and carrier transfer in B-DNA monomer polymers and dimer polymers: Stationary and time-dependent aspects of a wire model versus an extended ladder model.

We employ two tight-binding (TB) approaches to systematically study the electronic structure and hole or electron transfer in B-DNA monomer polymers and dimer polymers made up of N monomers (base pairs): (I) at the base-pair level, using the onsite energies of base pairs and the hopping integrals between successive base pairs, i.e., a wire model and (II) at the single-base level, using the onsite energies of the bases and the hopping integrals between neighboring bases, i.e., an extended ladder model since we also include diagonal hoppings. We solve a system of M (matrix dimension) coupled equations [(I) M=N, (II) M=2N] for the time-independent problem, and a system of M coupled first order differential equations for the time-dependent problem. We perform a comparative study of stationary and time-dependent aspects of the two TB variants, using realistic sets of parameters. The studied properties include HOMO and LUMO eigenspectra, occupation probabilities, density of states and HOMO-LUMO gaps as well as mean over time probabilities to find the carrier at each site [(I) base pair or (II) base], Fourier spectra, which reflect the frequency content of charge transfer, and pure mean transfer rates from a certain site to another. The two TB approaches give coherent, complementary aspects of electronic properties and charge transfer in B-DNA monomer polymers and dimer polymers.

Unbiased charge oscillations in B-DNA: monomer polymers and dimer polymers.

We call monomer a B-DNA base pair and examine, analytically and numerically, electron or hole oscillations in monomer and dimer polymers, i.e., periodic sequences with repetition unit made of one or two monomers. We employ a tight-binding (TB) approach at the base-pair level to readily determine the spatiotemporal evolution of a single extra carrier along a N base-pair B-DNA segment. We study highest occupied molecular orbital and lowest unoccupied molecular orbital eigenspectra as well as the mean over time probabilities to find the carrier at a particular monomer. We use the pure mean transfer rate k to evaluate the easiness of charge transfer. The inverse decay length ß for exponential fits k(d), where d is the charge transfer distance, and the exponent η for power-law fits k(N) are computed; generally power-law fits are better. We illustrate that increasing the number of different parameters involved in the TB description, the fall of k(d) or k(N) becomes steeper and show the range covered by ß and η. Finally, for both the time-independent and the time-dependent problems, we analyze the palindromicity and the degree of eigenspectrum dependence of the probabilities to find the carrier at a particular monomer.

Near-field optical properties of quantum dots, applications and perspectives.

Recent years have witnessed tremendous research in quantum dots as excellent models of quantum physics at the nanoscale and as excellent candidates for various applications based on their optoelectronic properties. This review intends to present theoretical and experimental investigations of the near-field optical properties of these structures, and their multimodal applications such as biosensors, biological labels, optical fibers, switches and sensors, visual displays, photovoltaic devices and related patents.

Electronic parameters for charge transfer along DNA.

We systematically examine all the tight-binding parameters pertinent to charge transfer along DNA. The pi molecular structure of the four DNA bases (adenine, thymine, cytosine, and guanine) is investigated by using the linear combination of atomic orbitals method with a recently introduced parametrization. The HOMO and LUMO wave functions and energies of DNA bases are discussed and then used for calculating the corresponding wave functions of the two B-DNA base-pairs (adenine-thymine and guanine-cytosine). The obtained HOMO and LUMO energies of the bases are in good agreement with available experimental values. Our results are then used for estimating the complete set of charge transfer parameters between neighboring bases and also between successive base-pairs, considering all possible combinations between them, for both electrons and holes. The calculated microscopic quantities can be used in mesoscopic theoretical models of electron or hole transfer along the DNA double helix, as they provide the necessary parameters for a tight-binding phenomenological description based on the pi molecular overlap. We find that usually the hopping parameters for holes are higher in magnitude compared to the ones for electrons. Our findings are also compared with existing calculations from first principles.

Theory of spontaneous emission of quantum dots in the linear regime.

We develop a fully quantum-mechanical theory for the interaction of light and electron-hole excitations in semiconductor quantum dots. Our theoretical analysis results in an expression for the photoluminescence intensity of quantum dots in the linear regime. Taking into account the single-particle Hamiltonian, the free-photon Hamiltonian, the electron-hole interaction Hamiltonian, and the interaction of carriers with light, and applying the Heisenberg equation of motion to the photon number expectation values, to the carrier distribution functions and to the correlation term between the photon generation (destruction) and electron-hole pair, we obtain a set of luminescence equations. Under quasi-equilibrium conditions, these equations become a closed-set of equations. We solve them analytically, in the linear regime, and we find an approximate solution of the incoherent photoluminescence intensity. The validity of the theoretical analysis is tested by investigating the emission spectra in the high-temperature regime, interpreting the experimental findings for the emission spectra of a lens-shaped In(0.5)Ga(0.5)As self-assembled quantum dot. Our theoretical predictions for the interlevel spacing as well as for the dephasing time caused by electron-longitudinal optical phonon interactions are in good agreement with the experimental results.