Descripción
|
|
---|---|
The electronic structure of modified chalcopyrite CuInS2 has been analyzed from first principles within the density functional theory. The host chalcopyrite has been modified by introducing atomic impurities M at substitutional sites in the lattice host with M = C, Si, Ge, Sn, Ti, V, Cr, Fe, Co, Ni, Rh, and Ir. Both substitutions M for In and M for Cu have been analyzed. The gap and ionization energies are obtained as a function of the M-S displacements. It is interesting for both spintronic and optoelectronic applications because it can provide significant information with respect to the pressure effect and the nonradiative recombination. | |
Internacional
|
Si |
JCR del ISI
|
Si |
Título de la revista
|
Journal of Physical Chemistry a |
ISSN
|
1089-5639 |
Factor de impacto JCR
|
2,946 |
Información de impacto
|
|
Volumen
|
116 |
DOI
|
10.1021/jp209594u |
Número de revista
|
5 |
Desde la página
|
1390 |
Hasta la página
|
1395 |
Mes
|
SIN MES |
Ranking
|