相关论文: Optical conductivity in disordered alloys : an app…
In an earlier paper [K. K. Saha and A. Mookerjee, Phys. Rev. B 70 (2004) (in press) or, cond-mat/0403456] we had presented a formulation for the calculation of the configuration-averaged optical conductivity in random alloys. Our…
We present here a formulation for the calculation of the configuration-averaged optical conductivity in random alloys. Our formulation is based on the augmented-space theorem introduced by one of us [A. Mookerjee, J. Phys. C: Solid State…
We present here a reciprocal space formulation of the Augmented space recursion (ASR) which uses the lattice translation symmetry in the full augmented space to produce configuration averaged quantities, such as spectral functions and…
In this communication we have studied the electronic structure, magnetic and optical properties of bcc \fecr alloys in the ferromagnetic phase. We have used the augmented space recursion technique coupled with tight-binding linearized…
In this communication we suggest a formulation of the optical conductivity as a convolution of an energy resolved joint density of states and an energy-frequency labelled transition rate. Our final aim is to develop a scheme based on the…
The optical conductivity for the surface excitations for a Topological Insulator as a function of the chemical potential and disorder is considered. Due to the time reversal symmetry the chiral metallic surface states are protected against…
We present results for the optical conductivity of Na2IrO3 within density functional theory by including spin-orbit (SO) and correlation effects (U) as implemented in GGA+SO+U. We identify the various interband transitions and show that the…
Off-stoichiometric alloys exhibit partial disorder, in the sense that only some of the sublattices of the stoichiometric ordered alloy become disordered. This paper puts forward a generalization of the augmented space recursion (ASR)…
The optical conductivity of the one-band Hubbard model is calculated using the 'Dynamical Cluster Approximation' implementation of dynamical mean field theory for parameters appropriate to high temperature copper-oxide superconductors. The…
We report on experimental evidence for the formation of a two dimensional Si/Au(110) surface alloy. In this study, we have used a combination of scanning tunneling microscopy, low energy electron diffraction, Auger electron spectroscopy and…
Combining the augmented space representation for phonons with a generalized version of Yonezawa-Matsubara diagrammatic technique, we have set up a formalism to seperate the coherent and incoherent part of the total intensity of thermal…
We present here an augmented space recursive technique in the k-representation which include diagonal, off-diagonal and the environmental disorder explicitly : an analytic, translationally invariant, multiple scattering theory for phonons…
Precious metal alloys enables new possibilities to tailor materials for specific optical functions. Here we present a systematic study of the effects of a nanoscale alloying on the permittivity of Au-Ag-Cu metals at 38 different atomic…
In this paper, the average density of states (ADOS) with a binary alloy disorder in disordered graphene systems are calculated based on the recursion method. We observe an obvious resonant peak caused by interactions with surrounding…
The degenerate free Fermi gas coupled to a random potential is used to compute a.c. conductivity in various dimensions. We first formally diagonalise the hamiltonian using an appropriate basis that is a functional of the disorder potential.…
We calculate the optical conductivity of the CuO double chains of PrBa$_2$Cu$_4$O$_8$ by the mean-field approximation for the coupled two-chain Hubbard model around quarter filling. We show that the $\sim$40 meV peak structure, spectral…
We have measured the differential Conductance of Au/Y1-xCaxBa2Cu3O7-delta point contacts in the regime where it is dominated by Andreev reflection, which enhances its value at low bias. We find that the characteristics can not be fitted by…
We present a detailed appraisal of the optical and plasmonic properties of ordered alloys of the form Au$_{x}$Ag$_{y}$Cu$_{1-x-y}$, as predicted by means of first-principles many-body perturbation theory augmented by a semi-empirical…
We present a longitudinal electrical conductivity calculation method for disordered alloys applicable from a wide range of density functional theory (DFT) codes based on the first-principles Wannier-based coherent potential approximation…
A computational method to obtain optical conductivities from first principles is presented. It exploits a relation between the conductivity and the complex dielectric function, which is constructed from the full electronic band structure…