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The surface geometry,electronic structure,and magnetism of Eu@C 60 monolayer absorbed on Ag(111) have been investigated within the framework of density functional theory.The Eu@C 60 monolayer has been constructed on Ag(111) substrate by one of the hexagon faces of C 60 downward and its mirror plane face parallel to Ag(111).The Eu@C 60 monolayer induces a reconstruction of the Ag(111) substrate and the perpendicular distance between the Eu@C 60 and Ag(111) surface is 2.06,being shorter than that between C 60 and Ag(111) surface by 0.05.There is no chemical bond formed between the Eu@C 60 and Ag(111),and only 0.55e transferred from Ag(111) to Eu@C 60.A large magnetic moment about 6.80 B per unit cell is found for Eu@C 60 /Ag(111) system.
The surface geometry, electronic structure, and magnetism of Eu @ C 60 monolayer absorbed on Ag (111) have been investigated within the framework of density functional theory. The Eu @ C 60 monolayer has been constructed on Ag (111) substrate by one of the hexagon faces of C 60 downward and its mirror plane face parallel to Ag (111). The Eu @ C 60 monolayer induces a reconstruction of the Ag (111) substrate and the perpendicular distance between the Eu @ C 60 and Ag (111) surface is 2.06, being shorter than that between C 60 and Ag (111) surface by 0.05. Here is no chemical bond formed between the Eu @ C 60 and Ag (111), and only 0.55e transferred from Ag (111) to Eu @C 60.A large magnetic moment about 6.80 B per unit cell is found for Eu @ C 60 / Ag (111) system.