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Structural phase transitions

Application of an external pressure is possible, allowing equations of state to be determined, and the relative stabilities of different phases to be studied. Different methods of deducing transition pressures from ab initio simulations were illustrated in a recent study of four phases of SiO2 (15), using information from enthalpy differences, elastic instabilities, phonon frequencies and structural trends.



Karsten Knorr
1998-09-22