The DC omhic conductance G of the Anderson model in one dimension is numerically calculated by two methods both starting from the Kubo-Greenwood formula. Results verify that only the geometric mean G is an appropriate average and that 〈G〉 and〈1/〉 are not statistically meaningful quantities....
We discuss the foundations and extend the range of applicability of the widely used Kubo-Greenwood formula (KGF) for the electronic conductivity. The conductivity is derived from the current density, and only the probability amplitude rather than the transition probability is used. It is shown that...
We present a calculation of Seebeck coefficient derived by Kubo-Greenwood formula with the density functional theory. The electronic structure calculation ... OSHITA,Masahiro,YOTSUHASHI,... - 《Journal of the Physical Society of Japan》 被引量: 0发表: 2009年 Seebeck Coefficient Calculated by Kubo...
In this work, we study the electrical conduction in macroscopic Fibonacci lattices by using the Kubo–Greenwood formula and a single-band tight-binding model. This study is carried out by means of the convolution technique and a novel renormalization method, which allows iterative evaluation of the...
for the mathematical derivation of various quantities from the generalised Kubo-Greenwood formula2 Quantum espresso3 VASP4 This code is meant to be as a VASP post-processing tool for people that want to calculate transport properties. The quantities calculated at the moment are: ...
Currently to find the static and dynamic conductivity the Kubo-Greenwood formula is most commonly used. It describes the electromagnetic energy absorption in the one-electron approach. In the present study, this formula is derived directly from the expression for the permittivity expression in the ...
Transport calculations in complex materials: A comparison of the Kubo formula, the Kubo-Greenwood formula and the microscopic response methodCondensed Matter - Statistical MechanicsRecently we have introduced the microscopic response method (MRM) to compute the conductivity and Hall mobility for complex ...
To achieve this, we apply the continuous Kubo-Greenwood formula and extend it to include the imaginary part of the complex conductivity into the analysis. Our method is suitable for a wide range of substances, providing an opportunity to explain optical properties from ab initio calculations of ...
In this work, we present an alternative way to study the electrical conductance in real-space by means of a renormalization plus convolution method applied on the Kubo-Greenwood formula for multidimensional systems of macroscopic size with site and bond impurities. The results show that the spectral...
Once these have been formulated or parameterized from experimental evidence, the Kubo-Greenwood integral can then be employed in order to analytically evaluate the Seebeck coefficient. The main purpose is to show that a complete analytical formula for the Seebeck coefficient may be obtained for an ...