ABSTRACT
We employ first-principles density functional theory calculations to study the surface reconstruction, energetic stability, and electronic structure of diamond C(331) surface. Spontaneous formation of graphene-like stripes on the reconstructed surface is found to occur as the surface terrace C atoms transform from sp3 to sp2 hybridization upon structural relaxation. The comparison of the calculated absolute surface energies of C(331), C(111), and C(110) surfaces demonstrates the energetic stability of the graphitic-like C(331) surface. Local density of electronic states analysis reveals the occurrence of localized electronic states near the Fermi level, which may have a significant impact on the surface conductivity.
ABSTRACT
The reversible control of metal-insulator transition (MIT) in In/Si(111) nanowires is demonstrated by tuning the band filling of the one-dimensional surface state by optical doping. The control of MIT is carried out by regulating the Fermi level in the surface state around the half-filled position, depending on the carrier density introduced at the interface. We successfully achieved the reversible and active control of MIT via the charge doping by regulating the intensity of photoexcitation. This method is widely applicable to other low-dimensional systems and makes MIT more controllable and suitable for use in nanowires as an active element in future architectures of nanosized functional devices as well as nanoscale interdevice wiring.
