GUANG-YU GUO2018-09-102018-09-10200113869477http://www.scopus.com/inward/record.url?eid=2-s2.0-0035339442&partnerID=MN8TOARShttp://scholars.lib.ntu.edu.tw/handle/123456789/293294First-principles local spin-density functional calculations of the electronic and magnetic properties of semiconducting FeSi (111) surface with both Fe- and Si-terminations have been performed. It is found that the Fe-terminated (1 1 1) surface is strongly ferromagnetic with a magnetic moment of 2.6μB/atom on the top Fe monolayer while the Si-terminated (111) surface is only weakly magnetic or nonmagnetic. These interesting results suggest that a semiconductor-based spintronics device might be developed by using thin FeSi (1 1 1) films connected to a metal lead on the Fe-terminated surface and to a semiconductor substrate on the Si-terminated surface. © 2001 Elsevier Science B.V.Density of states; FeSi; Magnetism; Surface; Thin filmsCrystal orientation; Electronic density of states; Ferromagnetic materials; Iron compounds; Magnetic moments; Magnetic semiconductors; Magnetic thin films; Probability density function; First-principle local spin-density functional; Semiconducting filmsjournal article10.1016/S1386-9477(01)00121-72-s2.0-0035339442WOS:000168902800081