AB INITIO CALCULATIONS OF THE LINEAR OPTICAL PROPERTIES OF CRYSTALS OF TIN, ZINC, BARIUM, COBALT, IRON, AND LEAD TARTRATES IN WIEN2k PACKAGE |
| 1 | |
| 2012 |
| scientific article | 548.O: 535 | ||
| 37-44 | tartrates, density functional theory, full potential linearized augmented plane wave (FP-LAPW) method, dielectric permittivity, optical properties |
| Results of theoretical studies of linear optical properties of some metal tartrate crystals using DFT FP-LAPW ab
initio calculations are presented. The dispersion dependences of the complex dielectric permittivity and a number of
optical constants are calculated in WIEN2k package. Calculated spectra of some optical characteristics of crystals of
tin, zinc, barium, cobalt, iron and lead tartrates have been obtained for the first time. |
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