Ionization levels of doped copper indium sulfide chalcopyrites

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
Author/s:
  • Tablero Crespo, César
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

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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
DC Identifier: http://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
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