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      Permanent link:
      https://www.ias.ac.in/article/fulltext/boms/043/0022

    • Keywords

       

      FP-LAPW; Y$_x$Ga$_{1−x}$As; phase transition; electronic properties; optical constants.

    • Abstract

       

      In this work, the first-principles computational study on the structural, elastic, electronic and optical propertiesof Y$_x$Ga$_{1−x}$As as a function of yttrium concentration ($x$) is presented. The computations are performed using the fullpotential linearized augmented plane wave plus local orbital method designed within density functional theory. Firstly,we performed our calculations on the most stable phases, NaCl and zinc blende, then their transition pressure for eachconcentration is determined and analysed. Our computed results for the zero yttrium concentration are found consistentwith the available experimental measurements as well as with theoretical predictions. Moreover, the dependencies of theseparameters upon yttrium concentration ($x$) were found to be non-linear.We also report computed results on electronic-bandstructure, electronic energy band gap results and density of states. A systematic study on optical properties to analyse itsoptoelectronic character and elastic properties is presented.

    • Author Affiliations

       

      S TOUAM1 R BELGHIT2 R MAHDJOUBI1 Y MEGDOUD1 H MERADJI1 MUHAMMAD SHEHRYAR KHAN3 R AHMED4 5 R KHENATA6 S GHEMID1 D P RAI7 Y AL-DOURI8 9

      1. Laboratoire LPR, Département de Physique, Faculté des Sciences, Université Badji Mokhtar, Annaba 23000, Algeria
      2. Laboratoire LESIMS, Département de Physique, Faculté des Sciences, Université Badji Mokhtar, Annaba 23000, Algeria
      3. School of Computing, Faculty of Engineering, Universiti Teknologi Malaysia (UTM), 81310 Johor Bahru, Johor, Malaysia
      4. Center for High Energy Physics, University of the Punjab, Quaid-e-Azam Campus, 54590 Lahore, Pakistan
      5. Department of Physics, Faculty of the Science, Universiti Teknologi Malaysia (UTM), 81310 Johor Bahru, Johor, Malaysia
      6. Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Université de Mascara, Mascara 29000, Algeria
      7. Physical Sciences Research Center (PSRC), Pachhunga University College, Aizawl 796001, India
      8. Nanotechnology and Catalysis Research Center (NANOCAT), University of Malaya, 50603 Kuala Lumpur, Malaysia
      9. University Research Center, Cihan University Sulaimaniya, Sulaimaniya 46002, Iraq
    • Dates

       
  • Bulletin of Materials Science | News

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