Electronic Structure of Single-Wall Silicon Nanotubes and Silicon Nanoribbons: Helical Symmetry Treatment and Effect of Dimensionality

<table>Calculated gap of SWSiNTs as a function of nanotube diameter. The numbers at the peaks are <svg height="11.9625" id="M376" style="vertical-align:-3.3907pt" version="1.1" viewbox="0 0 20.174999 11.9625" width="20.174999" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,7.675)"><path d="M766 88q-40 -45 -83.5 -72.5t-63.5 -27.5q-39 0 -16 103l49 224q15 68 -10 68q-36 0 -112.5 -78.5t-105.5 -133.5q-27 -101 -38 -165q-35 -4 -77 -18l-6 6q42 153 70 288q12 55 10 78t-19 23q-38 0 -114 -80.5t-101 -131.5q-24 -68 -41 -165q-36 -3 -76 -18l-8 6
q56 202 87 347q7 33 -3 33q-8 0 -31.5 -17.5t-41.5 -35.5l-12 28q42 45 84 72t63 27q44 0 10 -124l-20 -75h2q92 121 193 178q36 21 64 21q62 0 28 -159l-8 -37h2q50 67 103.5 112t94.5 65q39 19 62 19q60 0 23 -156l-45 -189q-9 -39 2 -39q17 0 71 49z" id="x1D45A"></path></g>
<g transform="matrix(.012,-0,0,-.012,13.475,11.762)"><path d="M483 97q-42 -50 -88.5 -79.5t-68.5 -29.5q-37 0 -17 93l22 102h-2q-54 -79 -144 -149q-59 -46 -100 -46q-24 0 -43 29t-19 86q0 78 34.5 153t94.5 120q41 31 94 51.5t98 20.5q29 0 72 -9q26 -6 39 -6l2 -4q-30 -117 -67 -323q-8 -41 2 -41q16 0 79 58zM374 387
q-32 15 -73 15q-52 0 -83 -23q-48 -36 -78 -108.5t-30 -152.5q0 -33 8.5 -50.5t20.5 -17.5q31 0 107 79t99 132q15 40 29 126z" id="x1D44E"></path></g>
</svg>-values of particular helical group which determine directly also the fold-number of particular tubular rotational axis symmetry.  Horizontal dotted line indicates calculated gap (1.24 eV) of bulk silicon with cF8 diamond-like structure.</table>

Advances in Condensed Matter Physics

fig10

Figure 10

Figure 10: Electronic Structure of Single-Wall Silicon Nanotubes and Silicon Nanoribbons: Helical Symmetry Treatment and Effect of Dimensionality 