First-principle analysis of the structural, mechanical, optical and electronic properties of wollastonite monoclinic polymorph
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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… read more here.
Keywords: first principle; principle analysis; optical electronic; casio3 monoclinic ... See more keywords