Structural stability of silicene-like nanotubes Original Research Article

Silicene-like image zigzag metal-doped image nanotubes are investigated by first-principles calculations. We show that the geometrical structures of silicon nanotubes can be stabilized by doping metal (K, Ca, Y and Lu). Electronic structure calculations show that Y and Lu atoms gain extra charge from Si atoms, the bonding between Si and the image (M = K, Ca) is of a mixed metallic–covalent nature, and the magnetic moment of K14Si120 quenches completely compared with K7Si64. Some properties are discussed to provide guidance to experimental efforts for nanomagnetic materials and spintronics.