Enhanced Rashba spin-orbit splitting in Bi∕Ag(111) and Pb∕Ag(111) surface alloys from first principles. Bihlmayer, G., Blügel, S., & Chulkov, E. V. Physical Review B, 75(19):195414, May, 2007.
Enhanced Rashba spin-orbit splitting in Bi∕Ag(111) and Pb∕Ag(111) surface alloys from first principles [link]Paper  doi  abstract   bibtex   
We present first-principles calculations of a (√3×√3)R30° Bi∕Ag(111)-ordered surface alloy, which has recently been investigated experimentally using angle-resolved photoemission spectroscopy. The surface states in the L-projected bulk band gap show a Rashba-type spin-orbit splitting which is three times larger than what has been observed on a clean Bi(111) surface. This large enhancement can be explained by the strong distortion of the surface-state wave function which is caused by the substantial outward buckling of the Bi atom. Also, in a similar surface alloy, Pb∕Ag(111), a strong Rashba-type splitting was found by our calculations. The comparison to the experimental data is more difficult due to the presence of a second, close-by surface state. We discuss the dependence of the two-dimensional band structure on the surface corrugation and compare to the experimental findings.
@article{bihlmayer_enhanced_2007,
	title = {Enhanced {Rashba} spin-orbit splitting in {Bi}∕{Ag}(111) and {Pb}∕{Ag}(111) surface alloys from first principles},
	volume = {75},
	url = {http://link.aps.org/doi/10.1103/PhysRevB.75.195414},
	doi = {10.1103/PhysRevB.75.195414},
	abstract = {We present first-principles calculations of a (√3×√3)R30° Bi∕Ag(111)-ordered surface alloy, which has recently been investigated experimentally using angle-resolved photoemission spectroscopy. The surface states in the L-projected bulk band gap show a Rashba-type spin-orbit splitting which is three times larger than what has been observed on a clean Bi(111) surface. This large enhancement can be explained by the strong distortion of the surface-state wave function which is caused by the substantial outward buckling of the Bi atom. Also, in a similar surface alloy, Pb∕Ag(111), a strong Rashba-type splitting was found by our calculations. The comparison to the experimental data is more difficult due to the presence of a second, close-by surface state. We discuss the dependence of the two-dimensional band structure on the surface corrugation and compare to the experimental findings.},
	number = {19},
	urldate = {2013-03-08},
	journal = {Physical Review B},
	author = {Bihlmayer, G. and Blügel, S. and Chulkov, E. V.},
	month = may,
	year = {2007},
	pages = {195414},
}

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