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Surface electronic structure of bismuth oxychalcogenides. / Eremeev, S. V. ; Koroteev, Y. M.; Chulkov, E. V. .
в: Physical Review B-Condensed Matter, Том 100, № 11, 115417, 2019.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Surface electronic structure of bismuth oxychalcogenides
AU - Eremeev, S. V.
AU - Koroteev, Y. M.
AU - Chulkov, E. V.
PY - 2019
Y1 - 2019
N2 - Within density functional theory we study the bulk band structure and surface states of bismuth oxychalcogenides Bi2O2Se and Bi2O2Te. We consider both polar and nonpolar surface terminations. On the basis of relativistic ab initio calculations, we show that both unreconstructed (polar) and reconstructed (nonpolar) surfaces possess the Rashba spin-split surface states. The metallic Rashba-split states on polar surfaces stem from huge potential bending, positive or negative, depending on surface polarity. On the nonpolar surfaces resulting from single-crystal cleavage the emerging Rashba-split states are nonmetallic.
AB - Within density functional theory we study the bulk band structure and surface states of bismuth oxychalcogenides Bi2O2Se and Bi2O2Te. We consider both polar and nonpolar surface terminations. On the basis of relativistic ab initio calculations, we show that both unreconstructed (polar) and reconstructed (nonpolar) surfaces possess the Rashba spin-split surface states. The metallic Rashba-split states on polar surfaces stem from huge potential bending, positive or negative, depending on surface polarity. On the nonpolar surfaces resulting from single-crystal cleavage the emerging Rashba-split states are nonmetallic.
UR - http://www.scopus.com/inward/record.url?scp=85072811114&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.100.115417
DO - 10.1103/PhysRevB.100.115417
M3 - Article
VL - 100
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 11
M1 - 115417
ER -
ID: 49495812