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物理学报 2010
Electronic structure and corrosion character of Mg alloys
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Abstract:
The electronic structure of Mg alloy was calculated with the recursion method.The result shows that the density of states of Mg in grain is similar to that on the surface of Mg alloy,but it is obviously different when O or O,H atoms exist on the surface of Mg alloys.This indicates Mg has similar properties whether in grain or on surface,but the properties of Mg change apparently after oxygen or hydrogen atom permeated in the surface layer of Mg alloy.Al,Y or La atom diffuses from grain to the surface and se...