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Insight of Electronic and Thermoelectric Properties of CdSiAs2 Ternary Chalcopyrite from First Principles Calculations

  • Nacera Si ZianiEmail author
  • Hamida Bouhani-Benziane
  • Melouka Baira
  • Abdelkader Belfedal
  • Mohamed Sahnoun
Conference paper
Part of the Lecture Notes in Networks and Systems book series (LNNS, volume 62)

Abstract

Electronic and thermoelectric properties of ternary chalcopyrite type CdSiAs2 were studied using the first principles density functional calculations performed in the full potential linear augmented plane wave (FP-LAPW) method as implemented in the WIEN2k code. The thermoelectric properties are calculated by solving the Boltzmann transport equation within the constant relaxation time approximation. The calculated band gap using the Tran-Blaha modified Becke- Johnson potential (TB-mBJ) of CdSiAs2 compound is in good agreement with the available experimental data. Thermoelectric properties like thermopower, electrical conductivity scaled by relaxation time and electronic thermal conductivity scaled by relaxation time are calculated as a function of temperature.

Keywords

Electronic properties Thermoelectric properties FP-LAPW method TB-MBJ 

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Copyright information

© Springer Nature Switzerland AG 2019

Authors and Affiliations

  • Nacera Si Ziani
    • 1
    Email author
  • Hamida Bouhani-Benziane
    • 1
  • Melouka Baira
    • 1
  • Abdelkader Belfedal
    • 2
  • Mohamed Sahnoun
    • 1
  1. 1.Laboratoire de Physique Quantique de la Matière et Modélisation Mathematique (LPQ3M), Faculté des Sciences ExactesUniversité Mustapha StambouliMascaraAlgeria
  2. 2.Laboratoire de Chimie-Physique de Macromolécule et Interface Biologique, Faculté des Sciences et de la vieUniversité Mustapha StambouliMascaraAlgeria

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