Related papers: Finite-Size Corrections to Defect Energetics along…
Self-energy corrections to the energy levels of bound electrons are calculated in the framework of path integrals. We arrive at the full fermion propagator, using methods of functional integrals, in the form of Schwinger-Dyson equation…
Finite size effects in the localization properties of disordered quantum wires are analyzed through conductance calculations. Disorder is induced by introducing vacancies at random positions in the wire and thus preserving the chiral…
We present the coupled nonlinear integral equations (NLIE) governing the finite size effects in N=1 super sine-Gordon model for the vacuum as well as for the excited states. Their infrared limit correctly yields the scattering data of the…
The presence of a random magnetic field in ferromagnetic systems leads, in the broken phase, to an anomalous $O(\sqrt{1/N})$ convergence of some thermodynamic quantities to their asymptotic limits. Here we show a general method, based on…
The Voigt profile - a convolution of a Gaussian and a Lorentzian - accurately describes the absorption lines of atomic and molecular gases at low probe powers. Fitting such to experimental spectra yields both the Lorentzian natural…
The characteristics of energy band spectrum of armchair graphene nanoribbons in presence of line defect are analyzed within a simple non-interacting tight-binding framework. In metallic nanoribbons an energy gap may or may not appear in the…
We investigate electronic transport in the nitrogen-doped graphene containing different configurations of point defects: singly or doubly substituting N atoms and nitrogen-vacancy complexes. The results are numerically obtained using the…
In these proceedings, I shall review the basic concepts of perturbative QCD in its high-energy limit, emphasising the approach to the unitarity limit, usually referred to as {\em saturation}. I shall explain the basic framework showing the…
We study finite size effects for the gap of the quasiparticle excitation spectrum in the weakly interacting regime one-dimensional Hubbard model with on-site attraction. Two type of corrections to the result of the thermodynamic limit are…
A few approximate schemes to solve the Hedin equations self-consistently introduced in (Phys. Rev. B 94, 155101 (2016)) are explored and tested for the 3D electron gas at metallic densities. We calculate one electron spectra, dielectric…
We propose a method to decompose the total energy of a supercell containing defects into contributions of individual atoms, using the energy density formalism within density functional theory. The spatial energy density is unique up to a…
We show that bound states moving in a finite periodic volume have an energy correction which is topological in origin and universal in character. The topological volume corrections contain information about the number and mass of the…
In this work, we perform ab initio calculations, based on the density functional theory, of the effects on the graphene bilayer when we intercalate carbon atoms between the layers. We use the unit cell of the bilayer to construct larger…
Regular nanoscale perforations in graphene (graphene antidot lattices, GAL) are known to lead to a gap in the energy spectrum, thereby paving a possible way towards many applications. This theoretical prediction relies on a perfect…
The LDA-1/2 method for self-energy correction is a powerful tool for calculating accurate band structures of semiconductors, while keeping the computational load as low as standard LDA. Nevertheless, controversies remain regarding the…
The supercell approach enables us to treat the electronic structure of defective crystals, but the calculated energy bands are too complicated to understand or to compare with angle-resolved photoemission spectra because of inevitable zone…
We study the possibility of controlling the finite size corrections in exact diagonalization studies quantitatively. We consider the one- and two dimensional Hubbard model. We show that the finite-size corrections can be be reduced…
We study (analytic) finite-size corrections in the dense polymer model on the strip by perturbing the critical Hamiltonian with irrelevant operators belonging to the tower of the identity. We generalize the perturbation expansion to include…
The energetically optimal position of lattice defects on intrinsically curved surfaces is a complex function of shape parameters. For open surfaces, a simple condition predicts the critical size for which a central disclination yields lower…
Modeling point defects at an atomic scale requires careful treatment of the long-range atomic relaxations. This elastic field can strongly affect point defect properties calculated in atomistic simulations because of the finite size of the…