Optical absorption analysis of quaternary molybdate- and tungstate-ordered double perovskites

Tablero Crespo, César (2015). Optical absorption analysis of quaternary molybdate- and tungstate-ordered double perovskites. "Journal of Alloys and Compounds" ; https://doi.org/10.1016/j.jallcom.2015.03.107.

Description

Title: Optical absorption analysis of quaternary molybdate- and tungstate-ordered double perovskites
Author/s:
  • Tablero Crespo, César
Item Type: Article
Título de Revista/Publicación: Journal of Alloys and Compounds
Date: 2015
Subjects:
Freetext Keywords: electronic structure, optical properties, semiconductors
Faculty: E.T.S.I. Telecomunicación (UPM)
Department: Electrónica Física
UPM's Research Group: Silicio y Nuevos Conceptos para Células Solares
Creative Commons Licenses: None

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Abstract

Quaternary-ordered double perovskite A2MM’O6 (M=Mo,W) semiconductors are a group of materials with a variety of photocatalytic and optoelectronic applications. An analysis focused on the optoelectronic properties is carried out using first-principles density-functional theory with several U orbital-dependent one-electron potentials applied to different orbital subspaces. The structural non-equivalence of the atoms resulting from the symmetry has been taken in account. In order to analyze optical absorption in these materials deeply, the absorption coefficients have been split into inter- and intra-non-equivalent species contributions. The results indicate that the effect of the A and M’ atoms on the optical properties are minimal whereas the largest contribution comes from the non-equivalent O atoms to M transitions.

Funding Projects

TypeCodeAcronymLeaderTitle
Madrid Regional GovernmentS2013/MAE-2780MADRID-PVUnspecifiedMateriales, dispositivos y tecnología para el desarrollo de la Industria fotovoltaica
Government of SpainENE2012-37804-C02-01PROMESAMartí Vega, AntonioAplicación de estructuras cuánticas y otros nuevos conceptos a la mejora de la eficiencia de las células solares

More information

Item ID: 34786
DC Identifier: http://oa.upm.es/34786/
OAI Identifier: oai:oa.upm.es:34786
DOI: 10.1016/j.jallcom.2015.03.107
Official URL: https://www.sciencedirect.com/science/article/pii/S0925838815008208?via%3Dihub
Deposited by: Prof Cesar Tablero
Deposited on: 18 Mar 2015 08:35
Last Modified: 30 May 2019 15:49
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