Predicting metastable phase boundaries in $\chem{Al\tx{-}Cu}$ alloys from first-principles calculations of free energies: The role of atomic vibrations

By  

EPL (EUROPHYSICS LETTERS), Vol. 73, Iss. 5, 2006-03 ,pp. : 719-725

Edp Sciences

Access to resources Recommend Favorite

The structural phase transition and phase stability of TiO₂ (P42/nmc) under high pressure from first-principles calculations

By Dong Hai-Kuan   Li Ming-Biao   Qi Guo-Quan   Xiu Xiao-Ming   Shi Li-Bin  

Physica Scripta, Vol. 91, Iss. 1, 2016-01 ,pp. : 15701-15710

IOP Publishing

Access to resources Recommend Favorite

First-principles calculations of structure and high pressure phase transition in gallium nitride

By Li-Na Tan   Cui-E Hu   Bai-Ru Yu   Xiang-Rong Chen  

Chinese Physics, Vol. 16, Iss. 12, 2007-12 ,pp. : 3772-3776

IOP Publishing

Access to resources Recommend Favorite

High-Pressure Phase Transitions of PbTe Using the First-Principles Calculations

By  

Chinese Physics Letters, Vol. 32, Iss. 1, 2015-01 ,pp. : 16101-16104

IOP Publishing

Access to resources Recommend Favorite

On the Singularity of the Free Energy at a First Order Phase Transition

By Friedli Sacha   Pfister Charles-E.  

Communications in Mathematical Physics, Vol. 245, Iss. 1, 2004-02 ,pp. : 69-103

Springer Publishing Company

Access to resources Recommend Favorite