Fcc-hcp phase coexistence in Al at high pressures: Explanation in terms of density of states

The density of states (DOS) of fcc and hcp structures of Al has been calculated for normal and high pressures. It has been found that the DOS of both structures, near the Fermi level, is similar over a range of compressed volumes close to the fcc-hcp transition volume (V/V₀∼0.53). This similarity is the reason for the reported coexistence of fcc-hcp phases over a wide range of pressures near the fcc-hcp phase transition. All calculations have been performed using the FP-LAPW method with GGA.