Related papers: Electronic properties of linear carbon chains: res…
The bounded one dimensional multibarrier potential shows signs of chaos, phase transition and a transmission probability of unity for certain values of its total length $L$ and the ratio $c$ of total interval to total width. Like the…
From first principles calculations, we investigate the stability and physical properties of single layer h-BN sheet chemically functionalized by various groups viz. H, F, OH, CH3, CHO, CN, NH2 etc. We find that full functionalization of…
Bound electron pairs formed due to the peculiarities of the band dispersion of electrons in crystals attract much interest because they can carry charge and spin even in the absence of band conductivity. However, such an important parameter…
Using the LHC and Tevatron data, we set upper and lower limits on the total width of the Higgs-like boson. The upper limit is based on the well-motivated assumption that the Higgs coupling to a W or Z pair is not much larger than in the…
Hydrogenation has proven to be an effective tool to open the bandgap of graphene. In the present density functional study we demonstrate that single-side-hydrogenated graphene is a semiconductor with an indirect bandgap of 1.89 eV, in…
A detailed level collisional-radiative model of the E1 transition spectrum of Ca-like W$^{54+}$ ion has been constructed. All the necessary atomic data has been calculated by relativistic configuration interaction (RCI) method with the…
The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a ``frozen-phonon'' scheme. An interesting diameter and chirality…
We show that we can predict the first ionization energy of the carbon atom to within 0.872 cm$^{-1}$ of the experimental value. This is an improvement of more than a factor of 6.5 over the preceding best prediction in [Phys. Rev. A 81,…
A new kind of three-dimensional carbon allotropes, termed carbon honeycomb (CHC), has recently been synthesized [PRL 116, 055501 (2016)]. Based on the experimental results, a family of graphene networks are constructed, and their electronic…
The choice of exchange functional is a critical factor in determining the energy bandgap of semiconductors. Ab initio calculations using different exchange functionals, including the conventional generalized-gradient approximation (GGA)…
Using a scanning tunneling microscope or mechanically controllable break junctions it has been shown that it is possible to control the formation of a wire made of single gold atoms. In these experiments an interatomic distance between…
Recently, energy-energy correlators (EECs) have garnered renewed interest for studying hadronic collisions at the Large Hadron Collider (LHC) and the Relativistic Heavy Ion Collider (RHIC). EEC measurements within jets provide a clear scale…
We calculate the correlation energy of a two-dimensional homogeneous electron gas using several available approximations for the exchange-correlation kernel $f_{\rm xc}(q,\omega)$ entering the linear dielectric response of the system. As in…
The density of states of one-dimensional disordered electron systems with long range Coulomb interaction is studied in the weak pinning limit. The density of states is found to follow a power law with an exponent determined by localization…
For a wide class of technologically relevant compound III-V and II-VI semiconductor materials AC and BC mixed crystals (alloys) of the type A(x)B(1-x)C can be realized. As the electronic properties like the bulk band gap vary continuously…
The band gap of alkali halides, alkaline-earth oxides, Al2O3 and SiO2 crystals has been calculated using the Perturbed-Ion model supplemented with some assumptions for the treatment of excited states. The gap is calculated in several ways:…
Fourier transform deep level transient spectroscopy has been performed between 80 K and 550 K in five n-type ZnO samples grown by different techniques. The capture cross section and ionization energy of four electron traps have been deduced…
Many methods for computing electronic correlation effects at finite temperature are related to many-body perturbation theory in the grand-canonical ensemble. In most applications, however, the average number of electrons is known rather…
A module of the ATLAS electromagnetic barrel liquid argon calorimeter was exposed to the CERN electron test-beam at the H8 beam line upgraded for precision momentum measurement. The available energies of the electron beam ranged from 10 to…
We provide a tight-binding model of insulator, for which we derive an exact analytic form of the one-body density matrix and its large-distance asymptotics in dimensions $D=1,2$. The system is built out of a band of single-particle orbitals…