THE BONDING CHARACTERIZATION OF ALKALI-METALS ON A SI SURFACE

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作者
YE, L
XIE, X
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O64 [物理化学(理论化学)、化学物理学];
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070304 ; 081704 ;
摘要
The bonding characterization is studied by an investigation of the orbital overlap population between two atoms and its energy distribution. The electronic structure and bonding properties of alkali atoms along with Al and Sn, on Si(001)2 X 1 cave sites are investigated. The characteristics of alkali atoms adsorbed on a Si surface can be investigated by analysis of their bonding properties with Si surface atoms. The spectrum of the orbital overlap population (OOP) between two atoms versus energy is calculated and discussed. One of the significances of this spectrum is that it shows the bonding and antibonding nature in a straightforward way.
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页码:L204 / L208
页数:5
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