Articles with "gga methods" as a keyword



Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods

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Published in 2020 at "Journal of Nanoparticle Research"

DOI: 10.1007/s11051-020-04994-5

Abstract: Electron structure of bulk and two-dimensional SrTiO 3 (2D-SrTiO 3 ) were calculated using the first-principle approach based on the density functional theory (DFT) with GGA +  U methods. An accurate direct band gap of bulk… read more here.

Keywords: bulk; two dimensional; gga methods; structure ... See more keywords