Related papers: Electronic properties of linear carbon chains: res…

Radiative properties of collective electronic states in a one dimensional atomic chain are investigated. Radiative corrections are included with emphasize put on the effect of the chain size through the dependence on both the number of…

We report calculations of the electronic structure of CaB$_6$ using the weighted density approximation (WDA) to density functional theory. We find a semiconducting band structure with a sizable gap, in contrast to local density…

Ab initio calculations show that the conductance of short monatomic carbon chain can be dramatically modified by adhering a single H, N, or O atom to the chain. For example, the conductance of the pristine chain gets about two orders of…

In a recent letter [J. -H. Choi et al. Phys. Rev. Lett. 115, 066403 (2015)], a universal linear relation between the binding energy Eb of exciton and the band gap Eg is found in different quasi-2D semiconductors. However, when one…

We calculate the dependence of the electrostatic persistence length, l_e, of weakly charged flexible polyelectrolyte chains using a self-consistent variational theory. The variation of l_e with \kappa, the inverse Debye screening length, is…

This paper examines the problem of optimizing the charging pattern of electric vehicles (EV) by taking real-time electricity grid carbon intensity into consideration. The objective of the proposed charging scheme is to minimize the carbon…

We express the high-frequency (anti-adiabatic) limit of the exchange-correlation kernels of an inhomogeneous electron gas in terms of the following equilibrium properties: the ground-state density, the kinetic stress tensor, the…

Linear carbon chains (LCCs) are the ultimate 1D molecular system and they show unique mechanical, optical and electronic properties that can be tuned by altering the number of carbon atoms, strain, encapsulation, and other external…

The complex band structure of an isolated polyethylene chain is calculated within Density Functional Theory (DFT). A plane wave basis and ultrasoft pseudopotentials are used. The results are compared with those obtained via a local basis…

We explore electron transport properties in honeycomb lattice ribbons with zigzag edges coupled to two semi-infinite one-dimensional metallic electrodes. The calculations are based on the tight-binding model and the Green's function method,…

In this critical compilation, all known to us experimental data on the spectrum of neutral carbon were methodically evaluated and supplemented by parametric calculations with Cowan's code. The sources of experimental data vary from…

Bounds on the exchange-correlation energy of many-electron systems are derived and tested. By using universal scaling properties of the electron-electron interaction, we obtain the exponent of the bounds in three, two, one, and quasi-one…

We establish a universal relation between the energy gap and the static dielectric constant for all insulating states. This relation yields an upper bound on the energy gap, which only depends on the electron density and electronic…

The energy spectrum for a system of atoms in a periodic potential can exhibit a gap in the band structure. We describe a system in which a laser is used to produce a mechanical potential for the atoms, and a standing wave light field is…

The end-to-end energy - energy correlations of random transverse-field quantum Ising spin chains are computed using a generalization of an asymptotically exact real-space renormalization group introduced previously. Away from the critical…

In the present article explicit expressions for the decay rate and energy level shifts of an atom in the presence of an ideal conducting wedge, two parallel plates and a half-sheet are obtained in the frame work of the canonical…

The band structure of the novel low-temperature thermoelectric material, \CBT, is calculated and analyzed using the semi-classic transport equations. It is shown that to obtain a quantitative agreement with measured transport properties a…

The structure of linear energy divergences is analysed on the example of one graph to 3-loop order. Such dangerous divergences do cancel when all graphs are added, but next to leading divergences do not cancel out.

The importance of finite-size effects for the electronic structure of long zigzag and armchair carbon nanotubes is studied. We analyze the electronic structure of capped (6,6), (8,0), and (9,0) single walled carbon nanotubes as a function…

The ratio of the alpha-decay widths of a bare nucleus and the related atom is calculated. Both the change of the form and thus the penetrability of the potential barrier and the effect of reflection in the classically-allowed region…