Modeling of Small Diameter Semiconductor Nanowires
M. Bukała, M. Galicka, R. Buczko and P. Kacman
Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warsaw, Poland
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Received: 9 06 2007;
The properties of very thin (up to 16 Å diameter) wires, cut out from the bulk in either zinc-blende or wurtzite material, are studied theoretically. In the total energy calculations we use ab initio methods and consider three different crystallographic growth axes for the zinc-blende and one for the wurtzite structure. We show that the most stable zinc-blende nanowires are those growing along (111) direction, however, the wurtzite structure is found to be energetically more favorable than the zinc-blende for wires of the same diameter. In addition, the band structure of the wires was calculated.
DOI: 10.12693/APhysPolA.112.425
PACS numbers: 73.21.Hb, 73.43.Cd, 73.61.Ey