Electronic structure and optical properties in ZnO:M(Co, Cd). Effect of band-gap variation

Palacios Clemente, Pablo and Aguilera Bonet, Irene and Wahnón Benarroch, Perla (2010). Electronic structure and optical properties in ZnO:M(Co, Cd). Effect of band-gap variation. "Thin Solid Films", v. 518 (n. 16); pp. 4568-4571. ISSN 0040-6090. https://doi.org/10.1016/j.tsf.2009.12.033.

Description

Title: Electronic structure and optical properties in ZnO:M(Co, Cd). Effect of band-gap variation
Author/s:
  • Palacios Clemente, Pablo
  • Aguilera Bonet, Irene
  • Wahnón Benarroch, Perla
Item Type: Article
Título de Revista/Publicación: Thin Solid Films
Date: June 2010
ISSN: 0040-6090
Volume: 518
Subjects:
Freetext Keywords: Zinc oxide; Electronic structure; Optoelectronic properties
Faculty: E.T.S.I. Telecomunicación (UPM)
Department: Tecnologías Especiales Aplicadas a la Aeronáutica [hasta 2014]
Creative Commons Licenses: Recognition - No derivative works - Non commercial

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Abstract

ZnO doped with some transitions metals (ZnO:M) has several significant potential application. ZnO:Co is proposed to be used in advanced spintronic devices due to its high Curie temperature and large magnetic moments per transition metal. ZnO:Cd has potential applications in short-wavelength optoelectronic devices. This work focuses on an ab-initio study of the electronic and optical properties of ZnO:M doped with Co, and Cd. Theoretical calculations have been done with different computational codes, using the density functional theory (DFT) at the GGA and GGA+U level. The latter introduces a Hubbard term correction in the “d” levels of the Zn and Co. We used different supercells in order to have different realistic dilution levels which can be achieved in experiments. Doping effects on the features of the optical absorption are also studied and analysed in this work.

More information

Item ID: 8343
DC Identifier: http://oa.upm.es/8343/
OAI Identifier: oai:oa.upm.es:8343
DOI: 10.1016/j.tsf.2009.12.033
Official URL: http://www.sciencedirect.com/
Deposited by: Memoria Investigacion
Deposited on: 19 Jul 2011 15:45
Last Modified: 20 Apr 2016 17:10
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