Structural and Electronic Properties of Lithium Nanowires

V. G. Boutko, А. А. Gusev, T. N. Shevtsova, Yu. G. Pashkevich

Donetsk Institute for Physics and Engineering Named after O.O. Galkin, NAS of Ukraine, 72 R. Luxembourg Str., 83114 Donetsk, Ukraine

Received: 19.11.2013. Download: PDF

Calculations of electronic structure of lithium nanowires with transverse sizes up to 15.6 Å are performed by methods of the density functional theory. Calculations are carried out, taking into account the transverse and longitudinal optimizations of structural parameters of nanowires. As shown, the electron density of states for Li$_{29}$ and Li$_{37}$ nanowires, in general, is comparable with the same for crystals.

Key words: lithium nanowires, electronic structure, band structure, electron density of states, density functional.



PACS: 61.46.Km, 71.15.Ap, 71.15.Mb, 71.20.Dg, 73.21.Hb, 81.05.Zx

Citation: V. G. Boutko, А. А. Gusev, T. N. Shevtsova, and Yu. G. Pashkevich, Structural and Electronic Properties of Lithium Nanowires, Metallofiz. Noveishie Tekhnol., 36, No. 7: 959—966 (2014) (in Russian)

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