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Ionization levels of doped copper indium sulfide chalcopyrites
Citation
Tablero Crespo, César (2012). Ionization levels of doped copper indium sulfide chalcopyrites. "Journal of Physical Chemistry A", v. 116 (n. 5); pp. 1390-1395. ISSN 1089-5639. https://doi.org/10.1021/jp209594u.
Description
| Title: | Ionization levels of doped copper indium sulfide chalcopyrites |
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| Author/s: |
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| Item Type: | Article |
| Título de Revista/Publicación: | Journal of Physical Chemistry A |
| Date: | February 2012 |
| ISSN: | 1089-5639 |
| Volume: | 116 |
| Subjects: | |
| Faculty: | E.T.S.I. Telecomunicación (UPM) |
| Department: | Electrónica Física |
| Creative Commons Licenses: | Recognition - No derivative works - Non commercial |
Abstract
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.
More information
| Item ID: | 16119 |
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| DC Identifier: | https://oa.upm.es/16119/ |
| OAI Identifier: | oai:oa.upm.es:16119 |
| DOI: | 10.1021/jp209594u |
| Official URL: | http://pubs.acs.org/doi/abs/10.1021/jp209594u |
| Deposited by: | Memoria Investigacion |
| Deposited on: | 06 Jul 2013 12:15 |
| Last Modified: | 22 Sep 2014 11:11 |
