Abstract
The structural phase transitions of Cu, Pd and Au are studied down to volume 0.55V 0 using transition metal pair potential (TMPP), where V 0 is observed atomic volume. All the three metals are found to be most stable in FCC phase at observed atomic volume. Cu and Au are found to transform from FCC ⇒HCP structure at volume (pressure) 0.78V 0 (353.252 kbar) and 0.70V 0 (878.185 kbar), respectively. The TMPP is also used to calculate cohesive energy, binding energy, bulk modulus and phonon spectra of these metals.
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