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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 segregates there，because each the doped atom embedding energy of Al，Y or La atom on the surface is lower than that in grain. The affinity energy of Al-O，Y-O，La-O，Mg-O，Mg-O-H is negative，so they can form compound. Because the affinity energy of Mg-O-H is lower than that of Mg-O，Mg(OH)2 is more stable than MgO. In the early stage of oxidation，oxygen combined with Mg，Al，Y or La forming oxide. When Mg alloy is in corrosive medium，MgO reacts with H2O forming Mg(OH)2. Al2O3，（Y，La）2O3 and Mg(OH)2 can protect Mg alloys from corrosion and improve corrosion resistance.
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Keywords:
- electronic structure /
- Mg alloy /
- corrosion character
[1] ［1］Zhai C Q，Zeng X Q，Ding W J，Wang Q D，Lü Y Z，Xu X P 2001 Mater. Mech. Engng. 25 6 (in Chinese) ［翟春泉、曾小勤、丁文江、王渠东、吕宜振、徐小平 2001 机械工程材料 25 6］
[2] ［2］Li Y，Lin J，Lon F C 1996 J. Mater. Sci. 40 4017
[3] ［3］Song G，Andrj A，Xian L 1998 Corros. Sci. 40 1769
[4] ［4］Otto L，Lein J E，Anne T K 1989 Corros. 45 741
[5] ［5］Liu G L 2008 Acta Phys. Sin. 57 434 (in Chinese) ［刘贵立 2008 57 434］
[6] ［6］Liu G L 2008 Acta Phys. Sin. 57 56 (in Chinese) ［刘贵立2008 57 56］
[7] ［7］Haydock R 1980 Solid State Physics 35 (New York：Academic Press) p216
[8] ［8］Slater J C，Koster G F 1954 Phys. Rev. 94 14986
[9] ［9］Harrison W A 1980 Electronic Structure and the Properties of Solids (San Francisco: Freeman) p551
[10] ］Laref A，Bouhafs B，Zaoui A，Certier M，Aourag H 2000 Phys. Stat. Sol. B 217 911
[11] ］Masuda-Jindo K 1988 Trans. Iron Steel Inst. Jpn. 28 842
[12] ］Zhai H J，Zhao J J，Ni G G，Zhou R F，Wang G H，Wang Y Z 1997 Chin. Phys. Lett. 14 897
[13] ］Wang L G，Wang C Y 1997 Mater. Sci. Engng. A 234—236 521
[14] ］Song G L，Andri A，Xian L W 1998 Corros. Sci. 40 1769
[15] ］Li Y，Lin J，Lon F C 1996 J. Mater. Sci. 31 4017
[16] ］Ma Q Y，Wang Z J，Wang L K 2004 Sur. Tech. 33 16 (in Chinese) ［马全友、王振家、王璐科 2004 表面技术 33 16］
[17] ］Duan H Q，Wang L S，Chai Q Z 2003 Chin. Mech. Engng. 14 1789 (in Chinese) ［段汉桥、王立世、蔡启舟 2003 中国机械工程 14 1789］
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[1] ［1］Zhai C Q，Zeng X Q，Ding W J，Wang Q D，Lü Y Z，Xu X P 2001 Mater. Mech. Engng. 25 6 (in Chinese) ［翟春泉、曾小勤、丁文江、王渠东、吕宜振、徐小平 2001 机械工程材料 25 6］
[2] ［2］Li Y，Lin J，Lon F C 1996 J. Mater. Sci. 40 4017
[3] ［3］Song G，Andrj A，Xian L 1998 Corros. Sci. 40 1769
[4] ［4］Otto L，Lein J E，Anne T K 1989 Corros. 45 741
[5] ［5］Liu G L 2008 Acta Phys. Sin. 57 434 (in Chinese) ［刘贵立 2008 57 434］
[6] ［6］Liu G L 2008 Acta Phys. Sin. 57 56 (in Chinese) ［刘贵立2008 57 56］
[7] ［7］Haydock R 1980 Solid State Physics 35 (New York：Academic Press) p216
[8] ［8］Slater J C，Koster G F 1954 Phys. Rev. 94 14986
[9] ［9］Harrison W A 1980 Electronic Structure and the Properties of Solids (San Francisco: Freeman) p551
[10] ］Laref A，Bouhafs B，Zaoui A，Certier M，Aourag H 2000 Phys. Stat. Sol. B 217 911
[11] ］Masuda-Jindo K 1988 Trans. Iron Steel Inst. Jpn. 28 842
[12] ］Zhai H J，Zhao J J，Ni G G，Zhou R F，Wang G H，Wang Y Z 1997 Chin. Phys. Lett. 14 897
[13] ］Wang L G，Wang C Y 1997 Mater. Sci. Engng. A 234—236 521
[14] ］Song G L，Andri A，Xian L W 1998 Corros. Sci. 40 1769
[15] ］Li Y，Lin J，Lon F C 1996 J. Mater. Sci. 31 4017
[16] ］Ma Q Y，Wang Z J，Wang L K 2004 Sur. Tech. 33 16 (in Chinese) ［马全友、王振家、王璐科 2004 表面技术 33 16］
[17] ］Duan H Q，Wang L S，Chai Q Z 2003 Chin. Mech. Engng. 14 1789 (in Chinese) ［段汉桥、王立世、蔡启舟 2003 中国机械工程 14 1789］
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