Hydrogen-saturated silicon nanowires heavily doped with interstitial and substitutional transition metals
Journal of Physical Chemistry C
15713 - 15722
MetadataShow full item record
Please cite this item using this persistent URLhttp://hdl.handle.net/11693/21389
We report a first-principles systematic study of atomic, electronic, and magnetic properties of hydrogen-saturated silicon nanowires (H-SiNW) that are heavily doped by transition metal (TM) atoms placed at various interstitial and substitutional sites. Our results obtained within the conventional GGA+U approach have been confirmed using a hybrid functional. To reveal the surface effects, we examined three different possible facets of H-SiNW along the  direction with a diameter of ∼2 nm. The energetics of doping and resulting electronic and magnetic properties are examined for all alternative configurations. We found that except Ti, the resulting systems have a magnetic ground state with a varying magnetic moment. Whereas H-SiNWs are initially nonmagnetic semiconductor, they generally become ferromagnetic metal upon TM doping. They can even exhibit half-metallic behavior for specific cases. Our results suggest that H-SiNWs functionalized by TM impurities form a new type of dilute magnetic semiconductor potentially attractive for new electronic and spintronic devices on the nanoscale. © 2012 American Chemical Society.
Showing items related by title, author, creator and subject.
Sandhu, A.; Masuda, H.; Oral, A.; Bending, S. J. (Japan Society of Applied Physics, 2001)An ultra-high sensitive room temperature scanning Hall probe microscope (RT-SHPM) system incorporating a GaAs/A1GaAs micro-Hall probe was used for the direct magnetic imaging of localized magnetic field fluctuations in ...
Ege, Y.; Şensoy, M.G.; Kalender O.; Nazlibilek, S. (2011)There is a variety of methods used for remote sensing of objects such as acoustic, ground penetration radar detection, electromagnetic induction spectroscopy, infrared imaging, thermal neutron activation, core four-pole ...
Bean-Livingston surface barriers for flux penetration in Bi 2Sr 2CaCu 2O 8+δ single crystals near the transition temperature Mihalache V.; Dede, M.; Oral, A.; Miu L. (2011)The first field for magnetic flux penetration H p in Bi 2Sr 2CaCu 2O 8+δ (Bi-2212) single crystals near the critical temperature T c was investigated from the local magnetic hysteresis loops registered for different magnetic ...