Magic numbers of diamond-like nanostructures

作者：Kustov E F^*; Kalinnikov V T; Novotortsev V M

来源：Russian Journal of Inorganic Chemistry, 2011, 56(1): 71-81.

DOI：10.1134/S0036023611010177

A shell system of diamond- and lonsdalite-like crystal structures has been developed in which nanostructures are represented by nested polyhedral shells, each containing several subshells. The subshells have coordination numbers h, h/2, and h/2m, where h is the group order, and m is the symmetry axis order, which is 48, 24, 6, 8, and 12 for diamond crystals and 24, 12, 2, and 6 for lonsdalite crystals. The shell and subshell sizes and their coordination numbers have been determined, and magic numbers have been calculated for crystal clusters in the structure of diamond (sphalerite XY)-1, 5, 17, 29, 35, 47, 71, 75, 87, 99, 123, 147, 159, 167, 179, 191, 239, 251, 275, 281, 293, 305, 329, 333, 357, 381, 405, 417, 465, 477, 501, aEuro broken vertical bar 9955-and lonsdalite (wurtzite XY)-1, 5, 17, 18, 27, 33, 39, 48, 50, 68, 77, 89, 92, 98, 104, 122, 125, 137, 144, 147, 159, 165, 171, 177, 183, 195, 207, 231, 232, 238, 253, 259, 283, 295, 304, 307, 319, 325, 337, 361, 370, 394, 406, 415, 417, 420, 432, 438, 444, 450, 474, 483, 489, 501 (the numbers for the Y atoms are italicized). The cluster density increases with size.

• 出版日期2011-1