Home
For authors
Submission status

Current
Archive (English)
Archive
   Volumes 81-92
   Volumes 41-60
   Volumes 21-40
   Volumes 1-20
   Volumes 61-80
      Volume 80
      Volume 79
      Volume 78
      Volume 77
      Volume 76
      Volume 75
      Volume 74
      Volume 73
      Volume 72
      Volume 71
      Volume 70
      Volume 69
      Volume 68
      Volume 67
      Volume 66
      Volume 65
      Volume 64
      Volume 63
      Volume 62
      Volume 61
Search
VOLUME 74 (2001) | ISSUE 11 | PAGE 625
Microscopic mechanism of stability in yttria-doped zirconia
PACS: 63.20.-e, 64.70.Kb, 71.20.-b, 77.84.Bw, 81.05.Je
Abstract
The relaxed configurations of yttria-stabilised zirconia (YSZ) between 3 and 10 mol. % Y2O3 were modeled within the pseudopotential technique. In the displacive limit of the double-well potential model, the vibration mode corresponding to the soft phonon in pure c-ZrO2 has been calculated for each Y2O3 composition. These anharmonic vibrations, associated with stabilization of YSZ, have been investigated within the self-consistent phonon approximation that makes obtainable the fine structure in spectral density. In studying the phonon dynamics, we propose to use the displacement probability density which can quantify very accurately the transition temperature needed to stabilize the YSZ cubic phase.