|
Abstract
|
|
|---|---|
| here is a great deal of interest in the effect of the correlation and effect of the atomic distortion in materials with a metallic intermediate band. This band, situated within the semiconductor band gaps, would be split, thus creating two bands, a full one below the Fermi energy and an empty one above it, i.e., a metal-insulator transition. This basic electronic band structure corresponds to intermediate band materials and is characteristic of transparent-conducting oxides, up and down converters, and intermediate band solar cells. A sufficiently high density of Cr in ZnSe substituting the Zn atoms leads to a microscopic intermediate band, in which these effects will be analyzed. A Hubbard term has been included to improve the description of the many-body effect. This term modifies the bandwidth of the intermediate band, the Fermi energy, and breaks the orbital-occupation degeneracy. From the results, the intermediate band is not split within the range of Hubbard term values analyzed and for Cr substituting Zn from 0.463% to 3.125% of Cr atomic concentration. | |
|
International
|
Si |
|
JCR
|
Si |
|
Title
|
J CHEM PHYS |
|
ISBN
|
0021-9606 |
|
Impact factor JCR
|
3,044 |
|
Impact info
|
|
|
Volume
|
126 |
|
|
|
|
Journal number
|
16 |
|
From page
|
1647 |
|
To page
|
|
|
Month
|
SIN MES |
|
Ranking
|
|