Theoretical Study of c(2×2) Structure in Li/Al(001) System : Condensed Matter: Electronic Properties, etc.
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概要
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Stability of Li/Al(001)-c(2×2) structure in which Li atoms are adsorbed substitutionally on Al(001) surface is studied by performing first-principles total-energy calculations. Our results for optimized structural parameters of the system are in reasonably good agreement with experiment. It is found that the c(2×2) structure is stabilized mainly due to a binding-energy gain of Li with Al atoms. Density of states of the c(2×2) structure of Li/Al(001) is compared with that of Na/Al(001) system to clarify bonding nature of alkali-atom adsorption.
- 社団法人日本物理学会の論文
- 2000-07-15
著者
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OGUCHI Tamio
Department of Quantum Matter, ADSM, Hiroshima University
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Oguchi Tamio
Department Of Quantum Matter Adsm Hiroshima University
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Oguchi Tamio
Department Of Engineering Physics The University Of Electro-communications
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OHSAKI Ichiro
Department of Materials Science, Hiroshima University
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Ohsaki Ichiro
Department Of Materials Science Hiroshima University
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