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1 Dec 2014 Secondly, A and B site cations in the lattice give a broader scope to design and alter the band structure as well . SrTiO3 is a simple cubic (Pm3m, a = 3.9 A) perovskite with an indirect band gap of 3.25 eV [39]. .. Gd2Ti2O7/GdCrO3 composite was reported as photocatalyst p-n junction photocatalyst [71].
30 Jul 2013 Figure 1: Dependence of the lattice parameter (a), (b), and band gap (c) of the Dy2Ti2O7 on eff. structure. In the present study, ab initio total energy calcu- .. [16] H. Y. Xiao and W. J. Weber, “Pressure induced structural transformation in Gd2Ti2O7 and Gd2Zr2O7," Journal of Physics, vol.
Request (PDF) | Magnetic and dielect | Layered perovskite (LP) titanates, Ln2Ti2O7 (Ln = lanthanoids), are ferroelectric materials containing magnetic Ln3+ ions at A-site. Metastable LP-Gd2Ti2O7 was fabricated in epitaxial thin film form on lattice-matched perovskite substrates and its dielectric and magnetic properties
31 Oct 2016 experimental band gap values. For the PBEsol+U functional with Dudarev's approach,32 effective. U (Ueff = U-J) values of Gd 4f electrons and Ti 3d electrons were determined to reproduce the experimentally determined bond lengths and lattice constant of Gd2Ti2O7. The resultant effective U value was
20 Jul 2007 in the Gd2Ti2O7 compound, and its electronic structure is very different from that of La2Ti2O7 suggested that the resistance of the pyrochlore structure to ion beam-induced amorphization is not only . have a direct band gap at the (000) point in the Brillouin zone, similar to the calculations of La2Zr2O7
of states (DOS) and electronic band structure, which are shown in Figs. 1 and 2, Table 2 lists the band gap values. The Fermi level is set to 0 eV. As it can be seen, three compounds present an obvious different character. Fig. 1. The calculated total density of state (DOS) and atomic projected DOS (PDOSs) for (a) Gd2Ti2O7,
6 Feb 2015 stant (a), and structural internal parameter of oxygen (x). [19] in the studied titanate pyrochlore oxides. The available experimental values of the band gaps are given in the paren- thesis. U (eV) gap (eV) a (A) x. Eu2Ti2O7. 10.14. 2.1 (2.5 [20]). 10.194. 0.327. Gd2Ti2O7. 11.48. 3.0 (3.2 [21]). 10.186. 0.326.
Gd2Ti2O7. The SEM microstructure of the sintered (at 1450 ?C) monoclinic RETs exhibit a well sintered physical appearance for the broken cross-sectional structure of the discs. The grains are smoothly titania in its band gap results in the energy transfer and it is possible to observe PL from the crystal field states of the RE
(SEM). The optical band gap of Gd2Ti2O7 determined from the absorption spectrum is found to be 4.2 eV, which corresponds to direct allowed transitions. The dielectric measurements were carried out using LCR meter in the radio frequency region at room temperature. The sintered Gd2Ti2O7 has a dielectric constant (?r)
Since there are hundreds of different rare-earth compounds with the pyrochlore structure, there exists a wide broadens the t2g band to allow metallic conductivity, but it does not destroy the gap between the t2g and eg bands. Gd2Ti2O7 and Gd2Sn2O7 are the best examples of long-range-ordered system at the lowest.
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