Calculated pressure induced fcc-hcp phase transition in aluminum

Yıl 2013, Cilt: 3 Sayı: 1, 6 - 8, 23.06.2013

Hamdi Dagıstanlı

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

Cited By: 1

Öz

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.

Anahtar Kelimeler

Aluminum, electronic structure, fcc-hcp transition, pressure

Kaynakça

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