L-Q. Chen—contributing editor
Formation of Cotunnite Phase in ZrO2 under Uniaxial Stress: A First Principles Study
Article first published online: 2 NOV 2010
© 2010 The American Ceramic Society
Journal of the American Ceramic Society
Volume 94, Issue 3, pages 932–937, March 2011
How to Cite
Öztürk, H. and Durandurdu, M. (2011), Formation of Cotunnite Phase in ZrO2 under Uniaxial Stress: A First Principles Study. Journal of the American Ceramic Society, 94: 932–937. doi: 10.1111/j.1551-2916.2010.04167.x
- Issue published online: 11 MAR 2011
- Article first published online: 2 NOV 2010
- Manuscript No. 27249. Received December 14, 2009; approved September 10, 2010.
Using a constant pressure ab initio technique, we study the response of ZrO2 to uniaxial stresses and find two different phase transformations; the application of uniaxial stress along the  and  directions yields a direct phase transformation from the baddeleyite structure to the P21/m and Pnma structures, respectively. Conversely, we observe structural failure of ZrO2 when it is compressed along the  axis.