Ab initio study of the structural properties of magnesium
作者： M.Y. Chou , Marvin L. Cohen
DOI: 10.1016/0038-1098(86)90175-4
关键词: Bulk modulus 、 Poisson's ratio 、 Lattice constant 、 Beryllium 、 Thermodynamics 、 Chemistry 、 Pseudopotential 、 Crystallography 、 Magnesium 、 Charge density 、 Ab initio
摘要: Abstract Structural properties of magnesium in the hcp structure are calculated using ab initio pseudopotential method within local-density-functional formalism. The lattice constants, cohesive energy, bulk modulus, and Poisson's ratio good agreement with experimental values. A comparison results beryllium is also discussed.
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