Effect of van der Waals interaction on the properties of SnS2 layered semiconductor

Seminóvski Pérez, Yohanna and Palacios Clemente, Pablo and Wahnón Benarroch, Perla (2013). Effect of van der Waals interaction on the properties of SnS2 layered semiconductor. "Thin Solid Films", v. 535 ; pp. 387-389. ISSN 0040-6090. https://doi.org/10.1016/j.tsf.2012.11.112.

Description

Title: Effect of van der Waals interaction on the properties of SnS2 layered semiconductor
Author/s:
  • Seminóvski Pérez, Yohanna
  • Palacios Clemente, Pablo
  • Wahnón Benarroch, Perla
Item Type: Article
Título de Revista/Publicación: Thin Solid Films
Date: 2013
ISSN: 0040-6090
Volume: 535
Subjects:
Freetext Keywords: DFT, Intermediate-band, Solar cell, SnS2
Faculty: Instituto de Energía Solar (IES) (UPM)
Department: Tecnologías Especiales Aplicadas a la Aeronáutica [hasta 2014]
Creative Commons Licenses: Recognition - No derivative works - Non commercial

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Abstract

Nowadays, dispersion correction applied on layered semiconductors is a topic of interest. Among the known layered semiconductors, SnS2 polytypes are wide gap semiconductors with a van der Waals interaction between their layers, which could form good materials to be used in photovoltaic applications. The present work gives an approach to the SnS2 geometrical and electronic characterization using an empirical dispersion correction added to the Perdew–Burke–Ernzerhof functional and subsequent actualization of the electronic charge density using the screened hybrid Heyd–Scuseria–Ernzerhof functional using a density functional code. The obtained interlayer distance and band-gap are in good agreement with experimental values when van der Waals dispersion forces are included.

More information

Item ID: 33258
DC Identifier: http://oa.upm.es/33258/
OAI Identifier: oai:oa.upm.es:33258
DOI: 10.1016/j.tsf.2012.11.112
Official URL: http://www.sciencedirect.com/science/article/pii/S0040609012016136
Deposited by: Memoria Investigacion
Deposited on: 26 Jan 2015 17:28
Last Modified: 01 Jun 2015 22:56
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