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salehi H, shanbedi A, amiri P. A Study of optical properties of Calcium Carbonate compound in hexagonal (calcite) and orthorhombic (aragonite) phases. ICOP & ICPET _ INPC _ ICOFS 2015; 21 :957-960
URL: http://opsi.ir/article-1-846-en.html
URL: http://opsi.ir/article-1-846-en.html
Abstract: (3421 Views)
At the present work, static dielectric constant, static refractive index, optical band gap and the energy dissipation function are have been studied. The calculations have been performed with pseudopotential method in density functional theory framework by using Quantume Espresso package. The obtained refractive index for the hexagonal phase in the x and z directions are 1/45 and 1/27, respectively, and for the orthorhombic phase at x, y and z directions are 1/48, 1/45 and 1/36 ,respectively. Moreover is calculated the optical band gap of hexagonal and orthorhombic phases at x, y and z directions.
Keywords: energy dissipation function, static dielectric constant, refractive index, optical band gap.
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