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Ab Initio Calculations of Structural, Mechanic, Electronic and Optical Properties of Ag2BaSn(Se, S)4 in Kesterite Structure

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ICREEC 2019

Part of the book series: Springer Proceedings in Energy ((SPE))

Abstract

The ab intio method within the recently modified Becke-Johnson potential explore that the Ag2BaSn(Se, S)4 compounds are narrow band gap semiconductors. The lattice parameters, bulk modulus and its derivative are predicted. The calculated elastic constants satisfy Pugh’s criteria. The mBJ potential was selected for further explanation of optical properties of these compounds. The two non-zero dielectric tensor components show isotropy behavior between the perpendicular and parallel components. Based on the results our finding that the Ag2BaSn(Se, S)4 compounds are efficient materials for energy conversion.

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Authors and Affiliations

  1. Laboratoire de Théorie et Simulation des Matériaux, Université Oran1 Ahmed Ben Bella, Oran, Algeria

    Rabia Rahmani, Bouhalouane Amrani & Kouider Driss Khodja

  2. Faculté de Physique, Département de Génie Physique, Université des Sciences et de la Technologie d’Oran-Mohamed-Boudiaf, Oran, Algeria

    Rabia Rahmani

  3. Laboratoire de Chimie Physique Macromoléculaire, Université d’Oran1 Ahmed Ben Bella, Es-Senia, Oran, Algeria

    Hayat Sediki

  4. Faculté de Physique, Département de Technologie des Matériaux, Université des Sciences et de la Technologie d’Oran- Mohamed- Boudiaf, Oran, Algeria

    Hayat Sediki

Authors
  1. Rabia Rahmani
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  2. Bouhalouane Amrani
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  3. Kouider Driss Khodja
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  4. Hayat Sediki
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Correspondence to Rabia Rahmani .

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Editors and Affiliations

  1. Laboratory of Plasma Physics, Conductive Materials and their Applications, Department of Energy Physics, Faculty of Physics, University of Sciences and Technology of Oran Mohamed Boudiaf USTO-MB, Oran, Algeria

    Ahmed Belasri

  2. Laboratory of Plasma Physics, Conductive Materials and their Applications, Department of Energy Physics, Faculty of Physics, University of Sciences and Technology of Oran Mohamed Boudiaf USTO-MB, Oran, Algeria

    Sid Ahmed Beldjilali

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Rahmani, R., Amrani, B., Khodja, K.D., Sediki, H. (2020). Ab Initio Calculations of Structural, Mechanic, Electronic and Optical Properties of Ag2BaSn(Se, S)4 in Kesterite Structure. In: Belasri, A., Beldjilali, S. (eds) ICREEC 2019. Springer Proceedings in Energy. Springer, Singapore. https://doi.org/10.1007/978-981-15-5444-5_44

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  • DOI: https://doi.org/10.1007/978-981-15-5444-5_44

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  • Publisher Name: Springer, Singapore

  • Print ISBN: 978-981-15-5443-8

  • Online ISBN: 978-981-15-5444-5

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