Hamdi DAGISTANLI

Calculated pressure induced fcc-hcp phase transition in aluminum

The linear-muffin-tin-orbital method within the local density approximation is used to calculate the total-energies, partial occupation numbers and density of states for aluminum as a function of reduced atomic volume. It is concluded that p›d electron transfer constitutes the driving force for the fcc›hcp transition in Al.

Keywords:

Aluminum, electronic structure, fcc-hcp transition pressure,

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