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      https://www.ias.ac.in/article/fulltext/boms/043/0138

    • Keywords

       

      La$_2$Pd$_2$O$_5$ ternary oxide; semiconductors; electronic band structure; thermoelectric properties; optoelectronic properties.

    • Abstract

       

      A number of ternary-semiconductor oxides have shown promise for potential applications in catalysis, thermoelectricity, optoelectronics and electrochemistry. In this work, the thermoelectric and optoelectronic properties of La$_2$Pd$_2$O$_5$ compound are studied by the full-potential linearized augmented plane wave method based on density functional theory. The electronic band structure shows an indirect band gap of 1.342 eV for La$_2$Pd$_2$O$_5$. Partial and total density of states indicate strong hybridization among different electronic orbitals. The upper part of the valence band is dominated by the Pd-d and O-p states, while the lower conduction band originates mainly from the Pd-d state. Dielectric functions including the imaginary and real parts, along with other optical constants, such as absorption coefficient, energy loss function, reflectivity and refractive index, have been reported for the first time. Thermoelectric properties, including electrical and thermal conductivity, Seebeck coefficient and power factor with variation in temperature are also presented and discussed using semi-classical Boltzmann transport theory for the first time for La$_2$Pd$_2$O$_5$. It has been found that La$_2$Pd$_2$O$_5$ has attractive optoelectronic and thermal properties that can make it a suitable candidate for efficient thermoelectric and optoelectronic device applications.

    • Author Affiliations

       

      SIKANDER AZAM1 MUHAMMAD IRFAN2 MUHAMMAD WAQAS IQBAL3 MUHAMMAD ARSHAD KAMRAN4 R KHENATA5 T SEDDIK5 BANAT GUL2 M SHOAIB2 M SOHAIL2 SALEEM AYAZ KHAN6 S H NAQIB7 T OUAHRANI8 XIAOTIAN WANG9

      1. Department of Physics, Faculty of Engineering and Applied Sciences, Riphah International University, Islamabad 46000, Pakistan
      2. Department of Physics, University of Sargodha, Sargodha 40100, Pakistan
      3. Riphah International University, Lahore Campus 14 - Civic Center, Lahore, Pakistan
      4. Department of Physics, College of Science, Majmaah University, Al-Majmaah 11952, Saudi Arabia
      5. Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000 Mascara, Algeria
      6. New Technologies - Research Center, University of West Bohemia, 306 14 Pilsen, Czech Republic
      7. Department of Physics, University of Rajshahi, Rajshahi 6205, Bangladesh
      8. Ecole Supérieure en Sciences Appliquées, 13000 Tlemcen, Algeria
      9. School of Physical Science and Technology, Southwest University, Chongqing 400715, People’s Republic of China
    • Dates

       
  • Bulletin of Materials Science | News

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