Application of the exact exchange potential method for half metallic intermediate band alloy semiconductor

Fernández Sánchez, Julio Juan and Tablero Crespo, César and Wahnón Benarroch, Perla (2004). Application of the exact exchange potential method for half metallic intermediate band alloy semiconductor. "The journal of chemical physics", v. 120 (n. 22); pp. 10780-10785. ISSN 0021-9606. https://doi.org/10.1063/1.1737367.

Description

Title: Application of the exact exchange potential method for half metallic intermediate band alloy semiconductor
Author/s:
  • Fernández Sánchez, Julio Juan
  • Tablero Crespo, César
  • Wahnón Benarroch, Perla
Item Type: Article
Título de Revista/Publicación: The journal of chemical physics
Date: 18 May 2004
ISSN: 0021-9606
Volume: 120
Subjects:
Faculty: Instituto de Energía Solar (IES) (UPM)
Department: Otro
Creative Commons Licenses: Recognition - No derivative works - Non commercial

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Abstract

In this paper we present an analysis of the convergence of the band structure properties, particularly the influence on the modification of the bandgap and bandwidth values in half metallic compounds by the use of the exact exchange formalism. This formalism for general solids has been implemented using a localized basis set of numerical functions to represent the exchange densityThe implementation has been carried out using a code which uses a linear combination of confinednumerical pseudoatomic functions to represent the Kohn–Sham orbitals. The application of this exact exchange scheme to a half-metallic semiconductor compound, in particular to Ga4P3Ti, apromising material in the field of high efficiency solar cells, confirms the existence of the isolated intermediate band in this compound

Funding Projects

TypeCodeAcronymLeaderTitle
FP6502620FULLSPECTRUMUniversidad Politecnica de MadridA new PV wave making more efficient use of the solar spectrum

More information

Item ID: 61438
DC Identifier: http://oa.upm.es/61438/
OAI Identifier: oai:oa.upm.es:61438
DOI: 10.1063/1.1737367
Official URL: https://aip.scitation.org/doi/10.1063/1.1737367
Deposited by: Biblioteca ETSI Telecomunicación
Deposited on: 19 Mar 2020 09:40
Last Modified: 19 Mar 2020 10:32
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