Carbon cage-like materials as potential low work function metallic compounds: Case of clathrates

Details Carbon cage-like materials as potential low work function metallic compounds: Case of clathrates Carbon cage-like materials as potential low work function metallic compounds: Case of clathrates

2002-08-07

arxiv.org/abs/cond-mat/0208132v1

Applied Physics Letters 80, No.8, 1385-1387 (2002)

Physics

Condensed Matter

Materials Science

4 pages, 3 figures, RevTeX

Scientific paper

10.1063/1.1453481

We present an ab-initio calculation of the electronic affinity of the hypothetical C-46 clathrate by studying its bare and hydrogenated (100) surfaces. We show that such a system shares with the diamond phase a small electronic affinity. Further, contrary to the diamond phase, the possibility of doping endohedrally these cage-like systems allows to significantly raise the position of the Fermi level, resulting in a true metal with a small work function. This is illustrated in the case of the Li8@C-46 doped compound. Such a class of materials might be of much interest for the design of electron-emitting devices.

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