نتایج جستجو برای: strongly correlatedsystem wannier function
تعداد نتایج: 1399746 فیلتر نتایج به سال:
‘To calculate bulk Fermi surfaces reported in Fig. 3 (right panel), we adopt a two step procedure: (i) first, we projected the bulk Hamiltonian onto a basis made of s and dW-centered, and s and p Te-centered orbitals, for a total of 112 Wannier functions, by means of the WANNIER90 package32; (ii) subsequently, the Wannier Hamiltonian is used to build up the bulk Green’s function as G(k,w)1⁄4 1/...
The exponential localization of Wannier functions in two or three dimensions is proven for all insulators that display time-reversal symmetry, settling a long-standing conjecture. Our proof relies on the equivalence between the existence of analytic quasi-Bloch functions and the nullity of the Chern numbers (or of the Hall current) for the system under consideration. The same equivalence implie...
We develop a formulation of the coherent potential approximation (CPA) on basis Wannier representation to computationally efficient method for treatment homogeneous random alloys that is independent applied first-principles electric structure code. To verify performance this CPA implementation within representation, we examine Bloch spectral function, density states (DOS), and magnetic moment i...
In analogy to the Wannier equation for localized electronic impurity states in crystalline materials, a wave equation for the envelope of the resonant optical modes of local defects within two-dimensional periodic dielectric structures is derived. In the case of degenerate satellite extrema, this is generalized to a set of coupled Wannier-like equations for a multienvelope system. The localized...
We discuss a method for determining the optimally localized set of generalized Wannier functions associated with a set of Bloch bands in a crystalline solid. By ‘‘generalized Wannier functions’’ we mean a set of localized orthonormal orbitals spanning the same space as the specified set of Bloch bands. Although we minimize a functional that represents the total spread (n^r &n2^r&n 2 of the Wann...
In coloured media, the index of refraction does not decrease monotonically with increasing wavelength, but behaves in a quite non-monotonical way. This behaviour is called anomalous dispersion and results from the fact that the absorption of a material influences its index of refraction. So far, this interesting fact has not been widely acknowledged by the graphics community. In this paper, we ...
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