- Bitlis Eren University Journal of Science and Technology
- Vol: 3 Issue: 1
- Calculated pressure induced fcc-hcp phase transition in aluminum
Calculated pressure induced fcc-hcp phase transition in aluminum
Authors : Hamdi Dagistanli
Pages : 6-8
Doi:10.17678/beuscitech.47132
View : 11 | Download : 5
Publication Date : 2013-06-23
Article Type : Other
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