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Adsorption of alkali metals on Ge(001)(2×1) surface

Journal Article · · Chemical Physics Letters

Ab initio total energy calculations have been performed for Na, K and Rb adsorption on Ge(001)(2?1) surface. It was found that the adsorption site of AM is AM size dependent. Structural analysis showed that the Ge-Ge dimer bond becomes stronger with increasing AM size. As the coverage increases from 0.5 to 1 ML it turns out that no depolarization effect occurs upon Na adsorption, while this effect become more important with increasing AM size. We also found that for all adsorption systems investigated the germanium surface is metallic and semiconducting for the coverage of 0.5 and 1 ML, respectively.

Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
877578
Report Number(s):
PNNL-SA-46784; 8208; KC0201020
Journal Information:
Chemical Physics Letters, Journal Name: Chemical Physics Letters Journal Issue: 1-3 Vol. 417; ISSN CHPLBC; ISSN 0009-2614
Country of Publication:
United States
Language:
English