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Atomic and electronic structures of single-layer FeSe on SrTiO3(001): The role of oxygen deficiency

Journal Article


Abstract


  • Using first-principles calculation, we propose an interface structure for single triple-layer FeSe on the

    SrTiO3(001) surface, a high-Tc superconductor found recently. The key component of this structure is the

    oxygen deficiency on the top layer of the SrTiO3 substrate, as a result of Se etching used in preparing the high-Tc

    samples. The O vacancies strongly bind the FeSe triple layer to the substrate giving rise to a (2 × 1) reconstruction,

    as observed by scanning tunneling microscopy. The enhanced binding correlates to the significant increase of Tc

    observed in experiment. The O vacancies also serve as the source of electron doping, which modifies the Fermi

    surface of the first FeSe layer by filling the hole pocket near the center of the surface Brillouin zone, as suggested

    from angle-resolved photoemission spectroscopy measurement.

UOW Authors


  •   Bang, Junhyeok (external author)
  •   Li, Zhi
  •   Sun, Y Y. (external author)
  •   Samanta, Amit (external author)
  •   Zhang, Y Y. (external author)
  •   Zhang, Wenhao (external author)
  •   Wang, Lili (external author)
  •   Chen, Xi (external author)
  •   Ma, Xu-Cun (external author)
  •   Xue, Qi-Kun (external author)
  •   Zhang, S B. (external author)

Publication Date


  • 2013

Citation


  • Bang, J., Li, Z., Sun, Y. Y., Samanta, A., Zhang, Y. Y., Zhang, W., Wang, L., Chen, X., Ma, X., Xue, Q. & Zhang, S. B. (2013). Atomic and electronic structures of single-layer FeSe on SrTiO3(001): The role of oxygen deficiency. Physical Review B: Condensed Matter and Materials Physics, 87 220503-1-220503-4.

Scopus Eid


  • 2-s2.0-84879002008

Start Page


  • 220503-1

End Page


  • 220503-4

Volume


  • 87

Place Of Publication


  • United States

Abstract


  • Using first-principles calculation, we propose an interface structure for single triple-layer FeSe on the

    SrTiO3(001) surface, a high-Tc superconductor found recently. The key component of this structure is the

    oxygen deficiency on the top layer of the SrTiO3 substrate, as a result of Se etching used in preparing the high-Tc

    samples. The O vacancies strongly bind the FeSe triple layer to the substrate giving rise to a (2 × 1) reconstruction,

    as observed by scanning tunneling microscopy. The enhanced binding correlates to the significant increase of Tc

    observed in experiment. The O vacancies also serve as the source of electron doping, which modifies the Fermi

    surface of the first FeSe layer by filling the hole pocket near the center of the surface Brillouin zone, as suggested

    from angle-resolved photoemission spectroscopy measurement.

UOW Authors


  •   Bang, Junhyeok (external author)
  •   Li, Zhi
  •   Sun, Y Y. (external author)
  •   Samanta, Amit (external author)
  •   Zhang, Y Y. (external author)
  •   Zhang, Wenhao (external author)
  •   Wang, Lili (external author)
  •   Chen, Xi (external author)
  •   Ma, Xu-Cun (external author)
  •   Xue, Qi-Kun (external author)
  •   Zhang, S B. (external author)

Publication Date


  • 2013

Citation


  • Bang, J., Li, Z., Sun, Y. Y., Samanta, A., Zhang, Y. Y., Zhang, W., Wang, L., Chen, X., Ma, X., Xue, Q. & Zhang, S. B. (2013). Atomic and electronic structures of single-layer FeSe on SrTiO3(001): The role of oxygen deficiency. Physical Review B: Condensed Matter and Materials Physics, 87 220503-1-220503-4.

Scopus Eid


  • 2-s2.0-84879002008

Start Page


  • 220503-1

End Page


  • 220503-4

Volume


  • 87

Place Of Publication


  • United States