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Electronic states genesis of the Ag2Bi surface alloy on the Ag (4 2 3) vicinal surface
Koroteev Yu. M.
1,2, Terenteva D. V.
3, Sviatkin L. A.
3, Chulkov E. V.
2
1Panin Institute of Strength Physics and Materials Science of Siberian Branch of Russian Academy of Sciences
2St. Petersburg State University, St. Petersburg, Russia
3Tomsk Polytechnic University, Tomsk, Russia
2St. Petersburg State University, St. Petersburg, Russia
3Tomsk Polytechnic University, Tomsk, Russia
Email: koroteev@ispms.tsc.ru, dvt17@tpu.ru, svyatkin_leo@mail.ru, evg.chulkov@gmail.com
To gain a deeper understanding of the band formation mechanism of the Ag2Bi surface alloy on the Ag (4 2 3) vicinal surface, a first-principles study of its electronic structure is presented. The origin of the surface electronic states is investigated by tracing the evolution of the band structure upon transition from the smooth surface of the Ag2Bi/Ag (1 1 1)-(sqrt(3)sqrt) system to the Ag2Bi/Ag (4 2 3) vicinal surface, as well as upon transition from the flat configuration (2sqrt(3)sqrt of a free-standing monolayer of the Ag2Bi surface alloy to the (4 2 3) vicinal configuration, and further to ultrathin Ag films with a thickness of 1 and 3 monolayers, on one side of which the Ag2Bi surface alloy is located. The role of the stepped nature of the surface, silver atoms of the substrate, and Bi atoms relaxation in shaping the electronic spectrum of the Ag2Bi surface alloy on the Ag (4 2 3) vicinal surface is discussed. Keywords: spin-orbit interaction, electronic structure, surface states, Bychkov-Rashba effect.
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