[Wien] Phase transition

Gavin Abo gsabo at crimson.ua.edu
Sun Jan 17 20:32:20 CET 2016


A structural phase transition is possible when the enthalpy-pressure 
curves of two different phases of a compound intersect [ 
https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10270.html 
].  So, yes, you should be able consider whether or not a phase 
transition occurs when the curves intersect.

The RS to CsCl phase transition calculation of GdN in the article titled 
"Pressure-induced phase transitions, electronic and magnetic properties 
of GdN" by R. M. Shabara et al. [ 
http://dx.doi.org/10.1016/j.rinp.2011.08.001 ] should be an example of 
just because a calculation shows it, it is not necessarily enough to 
support that the phase transition happens unless it can also be verified 
experimentally.

On 1/17/2016 2:08 AM, Sameh noui wrote:
> Good morning sir ;
> I have a question for you
> Do we consider that we have a phase transition when the courbes are 
> intersection in the positive direction


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