The geometrical characteristics of fcc, hcp, and polycrystalline nanowires: simulations of transmission electron microscopy images and diffraction patterns

J.M. Montejano-Carrizales, R.A. Guirado-López, J.L. Rodríguez-López, J.L. Morán-López


To theoretically study the physicochemical properties of nanowires, it
is necessary to build the corresponding atomic geometrical models. Here we present the geometrical characteristics of nanowires with fcc,
hcp, and polycrystalline structures. We consider fcc and hcp wires
grown along the (111) and $z$ axis directions, respectively, with
various diameters and lengths. In addition, since staking faults in
these systems are very common, we analyze also the case of nanowires
formed by stacked pieces having different crystalline structures and
orientations, a fact that leads to the formation of several internal
interfaces. By performing simulations of transmission electron
microscopy (TEM) images and diffraction patterns of the nanowires
considered here, we reveal how sensitive are the calculated
images to the defocus condition as well as to the orientation of the
wire with respect to the incident beam, a result that must be taken
into account in order to better understand the measured data.


Nanowires; fcc nanostructures; hcp nanostructures; TEM simulations; diffraction patterns

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Revista Mexicana de Física

ISSN: 2683-2224 (on line), 0035-001X (print)

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