Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10128623 | Computational Materials Science | 2018 | 7 Pages |
Abstract
The conductance G(E) (in comparison to the maximum value at Îâ=0.1,Gmax) as a function of energy E (in units of t). Panel (a) shows the results for the simple cubic structure, while Panel (b) shows the results for the perovskite structure. The red solid line corresponds to the case Îâ=0.1, and the green dashed line corresponds to the case Îâ=1. For both structures, when Îâ increases by a factor of 10, G(E) drops by a factor of about 10 for all values of E. In both panels the DOS is shown as the black dotted line, and for the perovskite case the DOS is multiplied by 5 to make it easier to view on the same scale as G(E). For the simple cubic structure the conductance closely follows the DOS. For the perovskite structure, the conductance behaves quite differently from the DOS, with the strongest peak in the conductance occurring near the top of the band.123
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
S. Ashhab, M.E. Madjet,