Ab initio calculation of the elastic constants of magnesium
L F Magana; G J Vazquez; L F Magana; Inst. de Fisica, Univ. Nacional Autonoma de Mexico, Mexico City, Mexico; G J Vazquez; Inst. de Fisica, Univ. Nacional Autonoma de Mexico, Mexico City, Mexico
Журнал:
Journal of Physics: Condensed Matter
Дата:
1995-07-24
Аннотация:
We have used a local, first principles pseudopotential to calculate the elastic constants of magnesium. Our results are in good agreement with experiment. The pseudopotential is obtained from the electronic density induced around a nucleus in an electron gas calculated from density functional theory.
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