Ionization energies of amphoteric-doped Cu2ZnSnS4: Photovoltaic application

Tablero Crespo, César (2014). Ionization energies of amphoteric-doped Cu2ZnSnS4: Photovoltaic application. "Journal of Alloys and Compounds", v. 586 ; pp. 22-27. ISSN 0925-8388. https://doi.org/10.1016/j.jallcom.2013.10.053.

Description

Title: Ionization energies of amphoteric-doped Cu2ZnSnS4: Photovoltaic application
Author/s:
  • Tablero Crespo, César
Item Type: Article
Título de Revista/Publicación: Journal of Alloys and Compounds
Date: 2014
ISSN: 0925-8388
Volume: 586
Subjects:
Freetext Keywords: Electronic structure; Semiconductors; Photovoltaics; Intermediate band
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 substitution of Cu, Sn or Zn in the quaternary Cu2ZnSnS4 semiconductor by impurities that introduce intermediate states in the energy bandgap could have important implications either for photovoltaic or spintronic applications. This allows more generation–recombination channels than for the host semiconductor. We explore and discuss this possibility by obtaining the ionization energies from total energy first-principles calculations. The three substitutions of Cu, Sn and Zn by impurities are analyzed. From these results we have found that several impurities have an amphoteric behavior with the donor and acceptor energies in the energy bandgap. In order to analyze the role of the ionization energies in both the radiative and non-radiative processes, the host energy bandgap and the acceptor and the donor energies have been obtained as a function of the inward and outward impurity-S displacements. We carried out the analysis for both the natural and synthetic CZTS. The results show that the ionization energies are similar, whereas the energy band gaps are different.

Funding Projects

TypeCodeAcronymLeaderTitle
Government of SpainPIB2010US-00096UnspecifiedUnspecifiedUnspecified
FP7/283798NGCPVUNIVERSIDAD POLITECNICA DE MADRIDA new generation of concentrator photovoltaic cells, modules and systems
Madrid Regional GovernmentS-2009/ENE-1477UnspecifiedUnspecifiedUnspecified

More information

Item ID: 37238
DC Identifier: http://oa.upm.es/37238/
OAI Identifier: oai:oa.upm.es:37238
DOI: 10.1016/j.jallcom.2013.10.053
Official URL: http://www.sciencedirect.com/science/article/pii/S0925838813024444
Deposited by: Memoria Investigacion
Deposited on: 02 Aug 2015 07:35
Last Modified: 01 Mar 2016 23:56
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