Cluster modeling of three types of double-walled armchair silicon carbide nanotubes

Electronic structures and stability of double-walled armchair (n,n)@(m,m) SiC nanotubes

“…The calculations indicate that all studied SiC nanotubes are semiconductors having indirect band gap. The obtained calculations for electronic properties are in agreement with previous studies [22,24]. In addition, the bandgap of double-walled SiC nanotubes is smaller than that of their single-walled constituent nanotubes.…”

“…To consider the interaction energy among the outer and inner tubes the formation energies of the (n, n)@(m, m) DWSiCNTs (with n = 4 and 5 and m = 7 to 15) are calculated from their total energies relative to the corresponding isolated single-walled SiC nanotubes using the following equation [22][23][24]:…”

“…Moreover, we have calculated the binding energies (Eb) per atom for all armchair DWSiCNTs according to the following equation [22][23][24]:…”

An Ab initio Study on the Convergence of Electronic Properties of SiC Nanotubes

“…These studies claim that the nanotubes with other ratios will eventually collapse the tube into nanowires or clusters with solid interiors. Some other theoretical studies [38][39][40][41] have suggested that the stable silicon carbide nanotubes are of three types-types 1, 2 and 3, depending upon the atomic arrangement in the nanotube. Type 1 consists of alternating Si and C atoms with each Si atoms having three C neighbors and vice versa.…”

Unusual Bonding Characteristics in a New Type of Single Walled Armchair SiGe Nanotubes

“…1 Myriads of theoretical and experimental research have clearly shown that nanotube (NT) and nanoform conformations are also possible with many other elements and compounds such as B x C y N z , 2-6 NiCl, 7 NiCl 2 , 8 H 2 Ti 3 O 3 , 9 GaSe, 10 P, 11 Cu, 12 Bi, 13 Si, [14][15][16][17][18][19][20][21][22][23] Ge, 20 GeC, 24 SiC, [25][26][27][28][29][30][31][32][33][34][35][36][37] SiGe 38 39 and SiO 2 . 40 41 Both silicon and germanium reside in column IV of the periodic table and are isoelectronic to carbon.…”