Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods
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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
Magnetic and electronic properties of bulk and two-dimensional FeBi2Te4: A first-principles study
Sign Up to like & getrecommendations! Published in 2023 at "Chinese Physics B"
DOI: 10.1088/1674-1056/acd522
Abstract: Layered magnetic materials, such as MnBi2Te4, have drawn much attention owing to their potential for realizing 2D magnetism and possible topological states. Recently, FeBi2Te4, which is isostructural to MnBi2Te4, has been synthesized in experiment, but… read more here.
Keywords: two dimensional; bulk two; properties bulk; first principles ... See more keywords