Comparative Lattice‐Dynamical Study of the Raman Spectra of Monoclinic and Tetragonal Phases of Zirconia and Hafnia

An interpretation of the Raman spectra of monoclinic ZrO2 and monoclinic HfO2 is made by analyzing the results of the zirconia–hafnia substitution jointly with a lattice dynamical treatment of both structures. The Raman spectra of tetragonal ZrO2 and tetragonal HfO2 are also interpreted. Emphasis is put on their relations to the spectrum of the parent cubic structure and on the position of the soft mode. The band assignment proposed earlier by other researchers is critically reconsidered.

[1]  M. Smirnov,et al.  Phonon spectra evolution and soft-mode instabilities of zirconia during the c–t–m transformation , 1999 .

[2]  P. Barbéris,et al.  On Raman spectroscopy of zirconium oxide films , 1997 .

[3]  C. H. Perry,et al.  Structural disorder and phase transitions in ZrO2-Y2O3 system , 1981 .

[4]  P. Quintard,et al.  Lattice‐Dynamic Treatment of Vibrational and Elastic Properties of Cotunnite‐Type ZrO2 and HfO2: Comparison with Ambient Pressure Polymorphs , 2004 .

[5]  K. S. Mazdiyasni,et al.  Infrared and Raman Spectra of Zirconia Polymorphs , 1971 .

[6]  P. Barbéris,et al.  Raman spectra of tetragonal zirconia: powder to zircaloy oxide frequency shift , 2001 .

[7]  Long-range Coulomb interaction in ZrO2 , 1998 .

[8]  Yoshiyuki Kawazoe,et al.  First-Principles Determination of the Soft Mode in Cubic ZrO 2 , 1997 .

[9]  M. Kakihana,et al.  Formation of metastable forms by quenching of the HfO2RO1.5 melts (R = Gd, Y and Yb) , 1996 .

[10]  Smirnov,et al.  Strain-induced destabilization of crystals: Lattice dynamics of the cubic-tetragonal phase transition in ZrO2. , 1995, Physical review. B, Condensed matter.

[11]  Cai,et al.  Temperature dependence of Raman scattering in stabilized cubic zirconia. , 1995, Physical review. B, Condensed matter.

[12]  T. Sakurai,et al.  Temperature Dependence of the Raman Spectra of ZrO2 , 1977 .

[13]  Y. Voronko,et al.  Formation of a tetragonal structure in partially stabilized zirconia , 1994 .

[14]  Feinberg,et al.  Neutron-scattering studies of phonons in disordered cubic zirconia at elevated temperatures. , 1987, Physical review. B, Condensed matter.

[15]  K. Negita Lattice vibrations and cubic to tetragonal phase transition in ZrO2 , 1989 .

[16]  Lattice vibrations and bulk properties of ceramics-forming materials: Piezoeffect in SiC and elasticity of ZrO2 , 1999 .

[17]  P. Bouvier,et al.  Raman spectra and vibrational analysis of nanometric tetragonal zirconia under high pressure , 2000 .