✦ LIBER ✦

Effects of multilayer relaxation and surface roughness on the electronic properties of Pd/W(110) and Pd/W(001)

✍ Scribed by Ruqian Wu; Lu-Jun Chen; Nicholas Kioussis

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 379 KB
Volume: 258
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(96)00645-8

No coin nor oath required. For personal study only.

✦ Synopsis

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 for the W(001) substrate. While the interfacial charge polarization plays a key role for the Pd/W bonding in both systems, the effect of interfacial hybridization is also important for Pd/W(001). Interestingly, the change of work function induced by the Pd adlayer is + 1.04 eV for W(001) but is -0.13 eV for W(110) -a result which agrees with experiment.

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