Study of the surface relaxation and single vacancy formation in very thin Cu (001) film by using MAEAM

• Autorzy: Yan-Ni Wen
• Języki publikacji: EN

Abstrakty

EN

The surface relaxation and the formation of a single vacancy in very thin Cu (001) film formed by 2 ∼ 14 atomic layers have been studied by using MAEAM and MD simulation. For the surface relaxtion, the highest surface energy is in the l = 2 atomic layers. The multilayer relaxation mainly occurs between the first two atomic layers, and the maximum contractive displacement is obtained in the very thin Cu (001) film formed by l = 3 atomic layers. For the vacancy formed in l′ = 1 of the very thin Cu (001) film formed by l = 2 ∼ 14 layers, the most difficult site in the film formed by l = 3 atomic layers.

Słowa kluczowe

EN

surface relaxation; vacancy; MAEAM; thin film

• Czasopismo: Open Physics
• Rocznik: 2014
• Tom: 12
• Numer: 8
• Strony: 559-564

Daty

wydano

2014-08-01

online

2014-07-20

Twórcy

autor

Yan-Ni Wen

• Ankang University Ankang, 725000, Shannxi, PR China,

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Identyfikatory

DOI

10.2478/s11534-014-0489-0