Theoretical Study of Carbon Clusters in Silicon Carbide Nanowires
Figure 5
(Color online) Electronic band structure and the projected density of states (PDOS) of Si-coated SiC NW. (a) Pristine NW, and with the presence of defects, (b) C–Si, (c) 2(C–C)Si, and (d) C–CSi. In the PDOS diagrams, the shaded regions correspond to the total density of states; in the electronic band structure diagrams, solid lines (dotted lines) represent the spin-up (spin-down) electronic channels. The red dashed lines correspond to the position of the Fermi level and the zero energy corresponds to the valence band maximum.
