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A First-principle Study Of The Optical Properties Of Pure And Doped LaNiO3

Tarun Kumar Kundu; Debolina Misra

Volume 7, Issue 5 , May 2016, , Pages 344-348

https://doi.org/10.5185/amlett.2016.6105

Abstract
  Density Functional Theory (DFT) is employed to study the various optical properties of pseudo-cubic LaNiO3. As LaNiO3 is a strongly correlated material, conventional DFT like LDA or GGA and even GW approximation fail to describe, we have examined the optical spectra of this compound using GGA(PBE)+U ...  Read More