The Li-adsorbed C(100)-(1x1): O diamond surface
The Li-adsorbed C(100)-(1x1): O diamond surface
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吸附 Li 的 C(100)-(1x1): O 金刚石表面
DOI：
10.1557/opl.2011.442
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发表时间：
2011
期刊：
影响因子：
--
通讯作者：
D. Cherns
中科院分区：
文献类型：
--
作者：
K. O'Donnell;Tomas L Martin;N. Fox;D. Cherns
本文给出了Li吸附的C（100）-（1x 1）：O体系的密度泛函理论结果。先前已经表明，在单个单层覆盖下，Li在含氧C（100）金刚石上的结合能显著高于较重的碱金属的结合能，而同时，锂的存在产生金刚石功函数的大位移。因此，该系统对于涉及金刚石的电子应用是有希望的。在这里，进一步的计算表明，额外的锂原子以上的1 ML覆盖范围是远远不那么强烈的约束，这表明1 ML表面是最有用的真空微电子应用。
This paper presents density functional theory results for the Li-adsorbed C(100)-(1x1):O system. Previously it has been shown that at a single monolayer coverage, the binding energy for Li on oxygenated C(100) diamond is substantially higher than that of heavier alkali metals, while at the same time, the presence of the lithium generates a large shift in the diamond workfunction. The system is therefore promising for electronics applications involving diamond. Here, further calculations are presented showing that additional Li atoms above 1ML coverage are far less strongly bound, suggesting the 1ML surface is the most useful for vacuum microelectronic applications.