[Pw_forum] YSZ unit cell

[stefano fabris]

> I want to study YSZ ( Yittirum stabilayzed Zirkunium) unit cell but I have no idea about atomic positions! I’ll appreciate it if someone help me to find it.

As a starting point you may have a look at this work:

Ab initio study of structural and electronic properties of yttria-stabilized cubic zirconia
G. Stapper, M. Bernasconi, N. Nicoloso, and M. Parrinello
Phys. Rev. B 59, 797 – Published 1 January 1999

… plus the references within and the subsequent works that refer to it.

Good luck.

All the best,
	Stefano


> Best regards.
> H. Asadi
> 
> 
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Stefano Fabris

CNR-IOM DEMOCRITOS
Istituto Officina dei Materiali
Consiglio Nazionale delle Ricerche
www.democritos.it

Phone: +39 040 3787 872
E-mail: fabris at democritos.it
Web: www.democritos.it/~fabris
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