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Published in 2018 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2017.12.004
Abstract: Abstract The structural, elastic, optical and electronic behavior of CaSiO3 monoclinic polymorph are estimated utilizing ultrasoft pseudo-potential technique operated in CASTEP code. The calculated lattice parameters, such as lattice constants, angle β, and unit cell…
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Keywords:
first principle;
principle analysis;
optical electronic;
casio3 monoclinic ... See more keywords