The theoretical simulation of optical properties of crystals with statistically disordered arrangement of atoms and atomic groups on the basis of point-dipole model

With using of point-dipole model the theoretical calculations of main refractive indices and orientation of indicatrix of 18 minerals are performed. The feature of studied minerals is the statistically disordered arrangement of CO3, SO4, SO2, PO4 groups and also separate ions. The optical characters...

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Bibliographic Details
Published in:arXiv.org 2003-04
Main Authors: D Yu Popov, Popova, O A
Format: Article
Language:English
Subjects:
Computer simulation
Crystals
Dipoles
Minerals
Optical properties
Refractivity
Online Access:Get full text
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Summary:With using of point-dipole model the theoretical calculations of main refractive indices and orientation of indicatrix of 18 minerals are performed. The feature of studied minerals is the statistically disordered arrangement of CO3, SO4, SO2, PO4 groups and also separate ions. The optical characters of uniaxial minerals and orientation of indicatrix of orthorhombic and monoclinic minerals, obtained by results of calculations, agree with experimental definitions.
ISSN:2331-8422