We apply a recently developed method combining first principles based Wannier functions with solutions to the Bogoliubov-de Gennes equations to the problem of interpreting STM data in cuprate superconductors. We show that the observed images of Zn on the surface of Bi_{2}Sr_{2}CaCu_{2}O_{8} can only be understood by accounting for the tails of the Cu Wannier functions, which include significant...

We consider a Wannier-Stark problem for small eld f in the one-ladder case. We prove that a generical rst band state is a metastable state (Wannier-Bloch oscillator) with the lifetime determined by the imaginary part of the Wannier-Stark ladder. The innnite resonances of the ladder cause Bloch oscillations as a global beating eeect. For an adiabatic time = ft large enough, but much smaller than...

We present a Wannier-function-based time-domain method for photonic-crystal integrated optical circuits. In contrast to other approaches, this method allows one to trade CPU time against memory consumption and therefore is particularly well suited for the treatment of large-scale systems. As an illustration, we apply the method to the design of a photonic-crystal-based sensor, which utilizes a ...

A method is presented for using truncated, maximally localized Wannier functions to introduce sparsity into the Slater determinant part of the trial wave function in quantum Monte Carlo calculations. When combined with an efficient numerical evaluation of these localized orbitals, the dominant cost in the calculation, namely, the evaluation of the Slater determinant, scales linearly with system...

The mean field Green function solution of the two-band singlet-hole Hubbard model for high-Tc superconductivity in cuprates (Plakida, N.M. et al., Phys. Rev. B51, 16599 (1995), JETP 97, 331 (2003)) involves expressions of higher order correlation functions describing respectively the singlet hopping and the superconducting pairing. Rigorous derivation of their values is reported based on the fi...

We have investigated structure and electronic properties of Au and Si liner chains using the firstprinciplesplane wave pseudopotential method. The transport properties and conductance of these twoliner chains are studied using Landauer approaches based on density functional theory (DFT). Weobtain density of states and band gap using Kohn-Sham and Wannier functions as well as quantumconductivity...

The adiabatic evolution of two doubly-degenerate (Kramers) levels is considered. The general five-parameter Hamiltonian describing the system is obtained and shown to be equivalent to one used in the Γ8 ⊗ (τ2 ⊕ ǫ) JahnTeller system. It is shown explicitly that the resulting SU(2) non-Abelian geometric vector potential is that of the (SO(5) symmetric) SU(2) instanton. Various forms of the potent...

We consider the magnetic circular dichroism spectrum of a crystal with broken time-reversal symmetry in the electric-dipole approximation. Using the Kubo-Greenwood formula for the absorptive part of the antisymmetric optical conductivity, its frequency integral is recast as a ground-state property. We show that in insulators this quantity is proportional to the circulation of the occupied Wanni...