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First-principles study on stability and electronic properties of W(001), W(110) and W(111) surfaces

โœ Scribed by Wang, H.Y.; Wang, N.; Zhang, S.; Deng, X.Y.; Li, D.J.; Gu, H.Q.


Book ID
121453198
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
600 KB
Volume
229
Category
Article
ISSN
0257-8972

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Effects of multilayer relaxation and sur
โœ Ruqian Wu; Lu-Jun Chen; Nicholas Kioussis ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 379 KB

By using the full potential linearized augmented plane wave method, the structural and electronic properties of Pd/W(001) and Pd/W(110) are investigated. Through force calculations, the Pd adlayer is found to remove the surface relaxation almost completely for the W(110) substrate but only partially