Dft analogue of prospecting the spin-polarised properties of layered perovskites ba2ernbo6 and ba2tmnbo6 influenced by electronic structure

HIGHLIGHTS

  • who: Saveer Ahmad Khandy from the Jiwaji University have published the research: DFT analogue of prospecting the spin-polarised properties of layered perovskites Ba2ErNbO6 and Ba2TmNbO6 influenced by electronic structure, in the Journal: Scientific Reports Scientific Reports
  • what: Thereefore, the computation of doing this research has been consistently followed by solving the Kohn-Sham equations within the domains of density function theory (DFT) as compressed in Wien2k30.

SUMMARY

    For a good thermoelectric material, it should obey many phenomenological requirements for bestowing good figure_of_merit (zT) if its Seebeck coefficient, electronic conductivity is . . .

     

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