Journal
JOURNAL OF ELECTRONIC MATERIALS
Volume 38, Issue 2, Pages 356-364Publisher
SPRINGER
DOI: 10.1007/s11664-008-0587-0
Keywords
First-principles calculations; intermetallic compounds; elastic property; anisotropy; electronic structure
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The structural, elastic, and electronic properties of Al-Cu intermetallics were investigated using first-principles calculations. The polycrystalline elastic modulus and Poisson's ratio were deduced from calculated single-crystal elastic constants, and the calculated structural properties agreed well with previous experimental results. Meanwhile, the elastic anisotropy of Al-Cu intermetallics was analyzed based on the directional dependence of the Young's modulus and its origin explained based on the electronic nature of the crystals.
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