||First-principles study of Rashba effect in ultra-thin bismuth surface alloys
Yamaguchi, Naoya ,
Kotaka, HirokiIshii, Fumiyuki
Journal of Crystal Growth
690 , 2017-06-15 , Elsevier B.V.
We performed density functional calculations for ultra-thin bismuth surface alloys: surface alloys of bismuth and face-centered cubic metals Bi/M(111)-(3×3)R30° (M=Cu, Ag, Au, Ni, Co, and Fe). Our calculated Rashba parameters for the Bi/Ag are consistent with the previous experimental and theoretical results. We predicted a trend in the Rashba coefficients α R of bands around the Fermi energy for noble metals as follows: Bi/Ag > Bi/Cu > Bi/Au. As for the transition metals, there is a trend in α R: Bi/Ni > Bi/Co > Bi/Fe. Our finding may lead to design efficient spin-charge conversion materials. © 2016 Elsevier B.V.