Articles with "supercell structure" as a keyword



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Investigation of the structural and electronic properties of InP1-xSbx alloy for mid-infrared optoelectronic applications: A TB-mBJ DFT study

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Published in 2020 at "Computational Condensed Matter"

DOI: 10.1016/j.cocom.2020.e00470

Abstract: Abstract The structural and electronic properties of InP 1 − x Sb x supercell structure at different percent of Sb incorporation have been studied under the Density Functional Theory formalism employing WIEN2K package. From the… read more here.

Keywords: structural electronic; electronic properties; mid infrared; structure ... See more keywords
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A first principles study of high Bi content in GaSbBi supercell structures for optoelectronic applications

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Published in 2018 at "Optik"

DOI: 10.1016/j.ijleo.2018.07.047

Abstract: Abstract We report the study of structural and optical properties of high Bi content in GaSb supercell leading to the formation of 2х2х1 and 1х2х2 G a S b 0.875 B i 0.125 supercell structures.… read more here.

Keywords: energy; supercell; supercell structures; supercell structure ... See more keywords