Infrared and Raman Spectroscopic Studies of ZrO2 Polymorphs Doped with Y2O3 or CeO2

Hirata, T.; Asari, E.; Kitajima, Masahiro

doi:10.1006/jssc.1994.1160

Cited by 218 publications

(151 citation statements)

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“…Table V lists our calculated IR-active phonon frequencies in comparison with available theoretical 37 and experimental values. 9,25,27,38,39 In some cases, possible reassignments are suggested. The overall agreement is very good; we obtain all the major features of the experimental infrared spectra.…”

Section: Phononsmentioning

confidence: 99%

Phonons and lattice dielectric properties of zirconia

2002

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We have performed a first-principles study of the structural and vibrational properties of the three low-pressure (cubic, tetragonal, and especially monoclinic) phases of ZrO2, with special attention to the computation of the zone-center phonon modes and related dielectric properties. The calculations have been carried out within the local-density approximation using ultrasoft pseudopotentials and a plane-wave basis. The fully relaxed structural parameters are found to be in excellent agreement with experimental data and with previous theoretical work. The total-energy calculations correctly reproduce the energetics of the ZrO2 phases, and the calculated zone-center phonon frequencies yield good agreement with the infrared and Raman experimental frequencies in the monoclinic phase. The Born effective charge tensors are computed and, together with the mode eigenvectors, used to decompose the lattice dielectric susceptibility tensor into contributions arising from individual infrared-active phonon modes. This work has been partially motivated by the potential for ZrO2 to replace SiO2 as the gate-dielectric material in modern integrated-circuit technology.

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Section: Phononsmentioning

confidence: 99%

Phonons and lattice dielectric properties of zirconia

2002

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“…The aim of this study was to investigate, by using Raman spectroscopy, the occurrence and extent of the phase transformation in Y-TZP ceramic at the veneer-framework interface. [24][25][26][27][28][29][30] The working hypothesis was that the buildup of the residual stresses at this interface during the firing procedures for the preparation of veneering ceramic is responsible for the stress-induced martensitic diffusionless t/m phase transformation at the veneer-framework interface. 18 copings were divided into 6 groups: nontreated coping as the control group; airborne-particleeabraded coping; airborne-particle abraded and veneered coping; fractured coping; fractured and airborne-particle abraded coping; and fractured, airborneparticle abraded and veneered coping (n¼3) ( Table I).…”

Section: -22mentioning

confidence: 99%

Effect of differences in coefficient of thermal expansion of veneer and Y-TZP ceramics on interface phase transformation

Hallmann

Ulmer²,

Wille

et al. 2014

The Journal of Prosthetic Dentistry

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“…It can be seen in the Raman spectrum that the major bands are at 259, 312, 472 and 640 cm −1 which are assigned to the tetragonal phase of ZrO 2 [15][16][17] for the ZrO 2 -a catalyst. While [18,19], the pH values of precipitation in the synthesis [14,20], the grain size of the tetragonal powder [21,22] etc., and it has been found that zirconia changes from tetrogonal to monoclinic phase with calcination temperature elevated and the phase transition takes place initially at the surface regions [15] and the phase change from tetrogonal to monoclinic is significantly prevented by the incorporation of Y, La, K, Na [23,24] etc. On the basis of the results reported in the literature, we supposed that the difference of the surface phase of ZrO 2 -a and ZrO 2 -b in this study probably resulted from the Na incorporated into zirconia, which retarded the phase change of tetragonal to monoclinic ZrO 2 during calcination.…”

Section: Resultsmentioning

confidence: 99%