Theoretical Study of Ga Adsorbates around Dangling-Bond Wires on an H-Terminated Si Surface: Possibility of Atomic-Scale Ferromagnets

Structure and magnetic properties of adatoms on carbon nanotubes

“…Figure 4 shows clearly that the spin polarized density occupies p orbitals of the adatom. Recent results on other systems [33][34][35] demonstrated that this behavior is typical for low-dimensional systems. The half electron of the p z orbital provides the magnetization of around 0.5 B .…”

Magnetic Properties and Diffusion of Adatoms on a Graphene Sheet

“…2(a). Recent results on other surfaces [29][30][31] demonstrated that this behavior is typical for low-dimensional systems. The half electron of the p z orbital provides the magnetization of around 0:5 B .…”

Spontaneous magnetization of aluminum nanowires deposited on the NaCl(100) surface

“…2,5,6 In this work we report state-of-the-art electronic structure calculations based on the density-functional theory ͑DFT͒ for simple metal nanowires on an insulating substrate, i.e., for Al wires on the NaCl͑100͒ surface. The present work is largely inspired by the theoretical investigations of Ga adsorbate wires on Si͑100͒ surface performed by Watanabe et al 14 Using first-principles electronic structure methods they calculated the stable structures of Ga-dangling-bond wires on hydrogen-terminated Si͑100͒. The resulting band structures show that the wires are metallic and that in some of the structures the adsorbate-induced band near the Fermi level is very flat.…”

“…The resulting band structures show that the wires are metallic and that in some of the structures the adsorbate-induced band near the Fermi level is very flat. On this basis Watanabe et al 14 discussed, using a simple tight-binding model, the possibility of ferromagnetism in these simple metal wires. Recently, Okada and Oshiyama 15 returned to these Ga wires on Si͑100͒ performing first-principles DFT calculations.…”