Theory of the phases and atomistic structure of yttria-doped zirconia

Ostanin, S.; Salamatov, E. I.; Craven, A. J.; McComb, David W.; Vlachos, D.

doi:10.1103/physrevb.66.132105

Cited by 22 publications

(21 citation statements)

References 18 publications

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“…The phase stability has also been studied within Landau theory [176,177] and lattice dynamical models [126,178,179]. Moreover, the stabilization of the phases by doping has been investigated by means of Hartree-Fock [143] and DFT methods [146,165,[180][181][182].…”

Section: Structural Phasesmentioning

confidence: 99%

Adhesion at metal–ZrO2 interfaces

Muñoz

Gallego

Beltrán

et al. 2006

Surface Science Reports

186

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Section: Structural Phasesmentioning

confidence: 99%

Adhesion at metal–ZrO2 interfaces

Muñoz

Gallego

Beltrán

et al. 2006

Surface Science Reports

186

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“…The role of doping in stabilizing the phases has been also investigated both at the Hartree-Fock [20] or DFT [21][22][23][24][25] levels. In some cases the theoretical predictions have been compared to the experimental results, as in ref.…”

Section: Introductionmentioning

confidence: 99%

Influences of structure and composition on the photoelectrochemical behaviour of anodic films on Zr and Zr–20at.%Ti

Santamaria

Quarto

Habazaki

2008

Electrochimica Acta

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A photoelectrochemical investigation on anodic films of different thickness grown on sputter-deposited Zr and Zr-20 at.%Ti was carried out. The estimated optical band gap and flat band potential of thick (U F ≥ 50 V) anodic films were related to their crystalline structure and compared with those obtained for thinner (U F ≤ 8 V/SCE) anodic oxides having undetermined crystalline structure. The E g values obtained by photocurrent spectroscopy were also compared with the experimental band gap estimated by other optical ex situ techniques and with the available theoretical estimates of the zirconia electronic structures in an attempt to reconcile the wide range of band gap data reported in the literature. Finally, the optical band gap and flat band potential values obtained for tetragonal Zr 0.8 Ti 0.2 O 2 mixed oxide were compared with that expected on the basis of a correlation between E g and the film composition.

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“…Finally this phase can be described as combination of ZrO 8 and ZrO 7 polyhedra. Calculations of the ZrO 2 polymorphs show that an increase in symmetry is associated with a greater peak splitting and narrower peaks [40,41].…”

Section: Resultsmentioning

confidence: 98%

“…[40,41] in crystalline ZrO 2 the separation as well as the depth of the minimum between the first two peaks reflect the specific polymorph (cubic, tetragonal or monoclinic). Similar trends are likely for HfO 2 polymorphs.…”

Section: Resultsmentioning

confidence: 99%

X-ray reflection spectroscopy of the HfO2/SiO2/Si system in the region of the O–K absorption edge

2006

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The paper shows the importance of soft X-ray reflection spectroscopy as a non-destructive in-depth characterization tool of the local atomic structure of high-k dielectric planar HfO 2 /SiO 2 /Si systems. The data obtained in the region of the O -K absorption edge demonstrate that the variation of the glancing angle enables the depth profilometry of the sample. By using the Kramers -Kronig analysis the reflection spectra are transformed into absorption spectra, from which the local physico-chemical environment of oxygen atoms is deduced, allowing also the knowledge of the local atomic structure and point defects associated with a thin superficial layer. D

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Theory of the phases and atomistic structure of yttria-doped zirconia

Cited by 22 publications

References 18 publications

Adhesion at metal–ZrO2 interfaces

Adhesion at metal–ZrO2 interfaces

Influences of structure and composition on the photoelectrochemical behaviour of anodic films on Zr and Zr–20at.%Ti

X-ray reflection spectroscopy of the HfO2/SiO2/Si system in the region of the O–K absorption edge

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