First-principles study of the atomic and electronic properties of (1 0 0) stacking faults in BaSnO3 crystal
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DOI: 10.1016/j.cplett.2018.01.036
Abstract: Abstract We investigated the atomic and electronic properties of (1 0 0) stacking fault (SF) in undoped and La-doped BaSnO3 by first-principles calculations. It was found that 1/2[1 1 1] (1 0 0) SF is energetically favorable when Ba atoms occupy… read more here.
Keywords: principles study; study atomic; atomic electronic; electronic properties ... See more keywords