X-ray absorption study of the local order around Mn in Mn:ZnO thin films: the role of vacancies and structural distortions

Guglieri, C.; Céspedes, Eva; Prieto, C.; Chaboy, J.

doi:10.1088/0953-8984/23/20/206006

Cited by 33 publications

(47 citation statements)

References 35 publications

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“…[44][45][46] We have found that the best reproduction of the experimental data is obtained by using an overlapping factor of 10% and the real Dirac-Hara ECP potential, in agreement to previous works. 47,48 As shown in the top panel of Fig. 9 we have first verified that the computations are able of reproducing the characteristic spectral features of the different polymorphs as reported in Fig.…”

Section: Ab Initio Xanes Calculationssupporting

confidence: 67%

XANES and EXAFS study of the local order in nanocrystalline yttria-stabilized zirconia

et al. 2013

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The local order around Zr and Y atoms of nanocrystalline yttria-stabilized zirconia (YSZ) powders with different grain sizes has been investigated by x-ray absorption spectroscopies. The samples were prepared by means of mechanical alloying with or without subsequent sintering treatment and also by milling commercial YSZ. Our study is motivated by the interest in the electrical properties of grain boundaries and the controversy about the level of disorder in the intergrain regions in nanocrystalline YSZ. The x-ray absorption near edge structure (XANES) analysis indicates that the local order of all the sintered samples is independent of the grain size. This is confirmed by the analysis of the extended x-ray absorption fine structure, which points out also that, in contrast to that found in sintered samples, the local order around the cation in the samples milled without further sintering treatment extends only to the first coordination shell. Finally, the results of ab initio Zr K-edge XANES calculations lead us to conclude that the observed changes of the shape of the white line are not related to a phase transformation but reflects the short-range order present in the as-milled samples.

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Section: Ab Initio Xanes Calculationssupporting

confidence: 67%

XANES and EXAFS study of the local order in nanocrystalline yttria-stabilized zirconia

et al. 2013

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“…During these calculations we have tested the performance of different exchange and correlation potentials (ECP) to account for the experimental spectrum. We have found that the best agreement between the computations and the experimental spectrum is obtained by using an overlapping factor of 1% and the Dirac-Hara ECP potential, in agreement with previous works for transition metal oxides (Guglieri & Chaboy, 2010;Guglieri et al, 2011).…”

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confidence: 90%

X-ray absorption study of the local structure at the NiO/oxide interfaces

et al. 2013

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This work reports an X-ray absorption near-edge structure (XANES) spectroscopy study at the Ni K-edge in the early stages of growth of NiO on nonordered SiO 2 , Al 2 O 3 and MgO thin films substrates. Two different coverages of NiO on the substrates have been studied. The analysis of the XANES region shows that for high coverages (80 Eq-ML) the spectra are similar to that of bulk NiO, being identical for all substrates. In contrast, for low coverages (1 Eq-ML) the spectra differ from that of large coverages indicating that the local order around Ni is limited to the first two coordination shells. In addition, the results also suggest the formation of cross-linking bonds Ni-O-M (M = Si, Al, Mg) at the interface.

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“…On the other hand, there has been no investigation on the symmetry of Zn atoms in ternary Ni 1−x Zn x O cubic RS solid solutions using the near edge X-ray absorption spectroscopy (XANES) technique, which is the widely accepted technique for determining the symmetry of the substituted atoms in ternary solid solutions 15,16. 14 However, there are no experimental data available in the Zn composition range of 0 ≤ x ≤ 0.30 in which single phase ternary Ni 1−x Zn x O cubic RS solid solutions are realized under normal conditions.…”

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Determination of the optical gap bowing parameter for ternary Ni_1−xZn_xO cubic rocksalt solid solutions

et al. 2015

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The lattice parameter variation for phase pure cubic rocksalt (RS) Ni1-xZnxO ternary solid solutions is observed to be perfectly governed by Vegard's law. X-ray absorption near edge spectroscopy confirms the RS symmetry of Zn atoms in the cubic lattice of Ni1-xZnxO. The optical gap bowing parameter for RS Ni1-xZnxO ternary solid solutions is determined, using diffuse reflectivity, to be -0.93 ± 0.05 eV. The negative value of the bowing indicates a repulsive interaction between the ligand O-2p and the metal Ni-3d orbitals. The determined value of the bowing parameter can be useful in designing UV photodetectors based on Ni1-xZnxO solid solutions.

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X-ray absorption study of the local order around Mn in Mn:ZnO thin films: the role of vacancies and structural distortions

Cited by 33 publications

References 35 publications

XANES and EXAFS study of the local order in nanocrystalline yttria-stabilized zirconia

XANES and EXAFS study of the local order in nanocrystalline yttria-stabilized zirconia

X-ray absorption study of the local structure at the NiO/oxide interfaces

Determination of the optical gap bowing parameter for ternary Ni_1−xZn_xO cubic rocksalt solid solutions

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X-ray absorption study of the local order around Mn in Mn:ZnO thin films: the role of vacancies and structural distortions

Cited by 33 publications

References 35 publications

XANES and EXAFS study of the local order in nanocrystalline yttria-stabilized zirconia

XANES and EXAFS study of the local order in nanocrystalline yttria-stabilized zirconia

X-ray absorption study of the local structure at the NiO/oxide interfaces

Determination of the optical gap bowing parameter for ternary Ni1−xZnxO cubic rocksalt solid solutions

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Determination of the optical gap bowing parameter for ternary Ni_1−xZn_xO cubic rocksalt solid solutions