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Geometric and electronic structure of the cs-doped Bi2Se3(0001) surface. / Otrokov, M. M.; Ernst, A.; Mohseni, K. et al.

In: Physical Review B, Vol. 95, No. 20, 205429, 22.05.2017.

Research output: Contribution to journalArticlepeer-review

Harvard

Otrokov, MM, Ernst, A, Mohseni, K, Fulara, H, Roy, S, Castro, GR, Rubio-Zuazo, J, Ryabishchenkova, AG, Kokh, KA, Tereshchenko, OE, Aliev, ZS, Babanly, MB, Chulkov, EV, Meyerheim, HL & Parkin, SSP 2017, 'Geometric and electronic structure of the cs-doped Bi2Se3(0001) surface', Physical Review B, vol. 95, no. 20, 205429. https://doi.org/10.1103/PhysRevB.95.205429

APA

Otrokov, M. M., Ernst, A., Mohseni, K., Fulara, H., Roy, S., Castro, G. R., Rubio-Zuazo, J., Ryabishchenkova, A. G., Kokh, K. A., Tereshchenko, O. E., Aliev, Z. S., Babanly, M. B., Chulkov, E. V., Meyerheim, H. L., & Parkin, S. S. P. (2017). Geometric and electronic structure of the cs-doped Bi2Se3(0001) surface. Physical Review B, 95(20), [205429]. https://doi.org/10.1103/PhysRevB.95.205429

Vancouver

Otrokov MM, Ernst A, Mohseni K, Fulara H, Roy S, Castro GR et al. Geometric and electronic structure of the cs-doped Bi2Se3(0001) surface. Physical Review B. 2017 May 22;95(20):205429. doi: 10.1103/PhysRevB.95.205429

Author

Otrokov, M. M. ; Ernst, A. ; Mohseni, K. et al. / Geometric and electronic structure of the cs-doped Bi2Se3(0001) surface. In: Physical Review B. 2017 ; Vol. 95, No. 20.

BibTeX

@article{67dafcbc788e4613ac4b253526b45a7b,
title = "Geometric and electronic structure of the cs-doped Bi2Se3(0001) surface",
abstract = "Using surface x-ray diffraction and scanning tunneling microscopy in combination with first-principles calculations, we have studied the geometric and electronic structure of Cs-deposited Bi2Se3(0001) surface kept at room temperature. Two samples were investigated: a single Bi2Se3 crystal, whose surface was Ar sputtered and then annealed at ∼500◦C for several minutes prior to Cs deposition, and a 13-nm-thick epitaxial Bi2Se3 film that was not subject to sputtering and was annealed only at ∼350◦C. In the first case, a considerable fraction of Cs atoms occupy top layer Se atoms sites both on the terraces and along the upper step edges where they form one-dimensional-like structures parallel to the step. In the second case, Cs atoms occupy the fcc hollow site positions. First-principles calculations reveal that Cs atoms prefer to occupy Se positions on the Bi2Se3(0001) surface only if vacancies are present, which might be created during the crystal growth or during the surface preparation process. Otherwise, Cs atoms prefer to be located in fcc hollow sites in agreement with the experimental finding for the MBE-grown sample.",
keywords = "SINGLE DIRAC CONE, TOPOLOGICAL INSULATORS, AB-INITIO, INTERFACE, BI2TE3, GROWTH, STATE",
author = "Otrokov, {M. M.} and A. Ernst and K. Mohseni and H. Fulara and S. Roy and Castro, {G. R.} and J. Rubio-Zuazo and Ryabishchenkova, {A. G.} and Kokh, {K. A.} and Tereshchenko, {O. E.} and Aliev, {Z. S.} and Babanly, {M. B.} and Chulkov, {E. V.} and Meyerheim, {H. L.} and Parkin, {S. S.P.}",
note = "Publisher Copyright: {\textcopyright} 2017 American Physical Society",
year = "2017",
month = may,
day = "22",
doi = "10.1103/PhysRevB.95.205429",
language = "English",
volume = "95",
journal = "Physical Review B",
issn = "2469-9950",
publisher = "American Physical Society",
number = "20",

}

RIS

TY - JOUR

T1 - Geometric and electronic structure of the cs-doped Bi2Se3(0001) surface

AU - Otrokov, M. M.

AU - Ernst, A.

AU - Mohseni, K.

AU - Fulara, H.

AU - Roy, S.

AU - Castro, G. R.

AU - Rubio-Zuazo, J.

AU - Ryabishchenkova, A. G.

AU - Kokh, K. A.

AU - Tereshchenko, O. E.

AU - Aliev, Z. S.

AU - Babanly, M. B.

AU - Chulkov, E. V.

AU - Meyerheim, H. L.

AU - Parkin, S. S.P.

N1 - Publisher Copyright: © 2017 American Physical Society

PY - 2017/5/22

Y1 - 2017/5/22

N2 - Using surface x-ray diffraction and scanning tunneling microscopy in combination with first-principles calculations, we have studied the geometric and electronic structure of Cs-deposited Bi2Se3(0001) surface kept at room temperature. Two samples were investigated: a single Bi2Se3 crystal, whose surface was Ar sputtered and then annealed at ∼500◦C for several minutes prior to Cs deposition, and a 13-nm-thick epitaxial Bi2Se3 film that was not subject to sputtering and was annealed only at ∼350◦C. In the first case, a considerable fraction of Cs atoms occupy top layer Se atoms sites both on the terraces and along the upper step edges where they form one-dimensional-like structures parallel to the step. In the second case, Cs atoms occupy the fcc hollow site positions. First-principles calculations reveal that Cs atoms prefer to occupy Se positions on the Bi2Se3(0001) surface only if vacancies are present, which might be created during the crystal growth or during the surface preparation process. Otherwise, Cs atoms prefer to be located in fcc hollow sites in agreement with the experimental finding for the MBE-grown sample.

AB - Using surface x-ray diffraction and scanning tunneling microscopy in combination with first-principles calculations, we have studied the geometric and electronic structure of Cs-deposited Bi2Se3(0001) surface kept at room temperature. Two samples were investigated: a single Bi2Se3 crystal, whose surface was Ar sputtered and then annealed at ∼500◦C for several minutes prior to Cs deposition, and a 13-nm-thick epitaxial Bi2Se3 film that was not subject to sputtering and was annealed only at ∼350◦C. In the first case, a considerable fraction of Cs atoms occupy top layer Se atoms sites both on the terraces and along the upper step edges where they form one-dimensional-like structures parallel to the step. In the second case, Cs atoms occupy the fcc hollow site positions. First-principles calculations reveal that Cs atoms prefer to occupy Se positions on the Bi2Se3(0001) surface only if vacancies are present, which might be created during the crystal growth or during the surface preparation process. Otherwise, Cs atoms prefer to be located in fcc hollow sites in agreement with the experimental finding for the MBE-grown sample.

KW - SINGLE DIRAC CONE

KW - TOPOLOGICAL INSULATORS

KW - AB-INITIO

KW - INTERFACE

KW - BI2TE3

KW - GROWTH

KW - STATE

UR - http://www.scopus.com/inward/record.url?scp=85047432592&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.95.205429

DO - 10.1103/PhysRevB.95.205429

M3 - Article

AN - SCOPUS:85047432592

VL - 95

JO - Physical Review B

JF - Physical Review B

SN - 2469-9950

IS - 20

M1 - 205429

ER -

ID: 15989408