First-principles structural, elastic and optoelectronics study of sodium niobate and tantalate perovskites

HIGHLIGHTS

  • who: Shaukat Ali Khattak from the DepartmentKhan University have published the research: First-principles structural, elastic and optoelectronics study of sodium niobate and tantalate perovskites, in the Journal: Scientific Reports Scientific Reports
  • what: We studied the structural and optoelectronic properties of alkali (Na)-based niobate (u00ad NaNbO3) and tantalate u00ad(NaTaO3) perovskites while using the DFT, embedded in WIEN2K.

SUMMARY

    While exploiting the exchange-correlation potential in the application of generalized gradient approximation (GGA) structural properties of the materials were ­determined35. Band structure describes the behavior of electrons and their state . . .

     

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