2005
DOI: 10.1016/j.chemphys.2005.05.025
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The role of structural order–disorder for visible intense photoluminescence in the BaZr0.5Ti0.5O3 thin films

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Cited by 36 publications
(16 citation statements)
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“…It can be assumed that particle charge compensation takes place at a nearestneighbor barium cluster site in the [BaO 12 ], because the resulting coulomb interaction is the most important driving force. This assignment is in accordance with first-principles calculation (Anicete- Santos et Al., 2005 VO ] defect dipole complexes the main cause of electrical properties in the ceramic. Hence, charge transport will be considerably hindered.…”
supporting
confidence: 60%
“…It can be assumed that particle charge compensation takes place at a nearestneighbor barium cluster site in the [BaO 12 ], because the resulting coulomb interaction is the most important driving force. This assignment is in accordance with first-principles calculation (Anicete- Santos et Al., 2005 VO ] defect dipole complexes the main cause of electrical properties in the ceramic. Hence, charge transport will be considerably hindered.…”
supporting
confidence: 60%
“…The highest E gap value was verified for the powders with Y content up to x ¼ 0.025, suggesting a different conformation or low concentration of energy states within the band gap. It is possible to conclude that these energy states are basically composed of O 2p orbitals (near the VB) as well as Ti 3d orbitals, Y and Zr 4d orbitals (below the CB) [78]. The origin of these Fig.…”
Section: Ultravioletevisible Absorption Spectroscopy Analysesmentioning
confidence: 99%
“…Orhan et al [19][20][21][22], Longo et al [23], and Anicete-Santos et al [24] performed experimental and theoretical studies of the PL property in materials such as perovskitelike titanates and sheelite tungstates. The authors developed ab initio periodic models representing crystalline and order-disordered structures of Pb(Zr 0.2 Ti 0.8 )O 3 , BaTiO 3 , Ba 0.5 Sr 0.5 TiO 3 , and SrWO 4 .…”
Section: Introductionmentioning
confidence: 98%