Calculated pressure induced fcc-hcp phase transition in aluminum

Year 2013, Volume: 3 Issue: 1, 6 - 8, 23.06.2013

Hamdi Dagıstanlı

https://doi.org/10.17678/beuscitech.47132

Cited By: 1

https://izlik.org/JA72DT68LF

Abstract

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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