Calculated pressure induced fcc-hcp phase transition in aluminum

Authors : Hamdi DAGISTANLI

Pages : 6-8

Doi:10.17678/beuscitech.47132

View : 20 | Download : 9

Publication Date : 2013-06-23

Article Type : Research Paper

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