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First-principles calculations of structural, elastic, electronic, and optical properties of perovskite-type KMgH3 crystals: Novel hydrogen storage material
(American Chemical Society, 2011-03-31)
We report a first-principles study of structural and phase stability in three different structures of perovskite-types KMgH3 according to H position. While electronic and optical properties were measured only for stable ...
Photoinduced piezooptical changes caused by microsecond CO2 Infrared lasers in lead-germanate rare earth tridoped glasses
(Elsevier B.V., 2011-05-31)
We have observed substantial influence of the illumination by 3.5 μs CO2 laser on the piezooptical coefficients of 59 PbO - 41 GeO 2 (in wt.%) glasses prepared with Tm2O3, Er2O3, Yb2O3 using the following concentrations ...
Dispersion of linear and nonlinear optical susceptibilities and the hyperpolarizability of 3-methyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole
(The Owner Societies, 2011-02-21)
As a starting point for our calculation of 3-methyl-4-phenyl-5-(2-pyridyl)- 1,2,4-triazole we used the XRD data obtained by C. Liu, Z. Wang, H. Xiao, Y. Lan, X. Li, S. Wang, Jie Tang, Z. Chen, J. Chem. Crystallogr., 2009 ...
Laser operated borate polymer nanocomposites
(Elsevier B.V., 2011-01-28)
We have found that UV polarized treatment of the nanocrystals (non-centrosymmetric Li2B4O7 and centrosymmetric α-BaB2O4) embedded into the olygoether acrylate photopolymer samples cause substantially different response ...
Density functional calculations, electronic structure, and optical properties of molybdenum bimetallic nitrides Pt2Mo3N and Pd2Mo3N
(American Chemical Society, 2011-04-07)
The electronic band structure, origin of chemical bonds, and dispersion of linear optical susceptibilities for Pt2Mo3N and Pd 2Mo3N have been investigated within the framework of density functional theory (DFT). The atomic ...