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Calculated pressure induced fcc-hcp phase transition in aluminum

Journal Name:

  • Bitlis Eren University Journal of Science and Technology

Publication Year:

  • 2013

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Abstract (2. Language): 
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.
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REFERENCES

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