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Role of double Ti O2 layers at the interface of FeSe/ SrTi O3 superconductors

Publication ,  Journal Article
Zou, K; Mandal, S; Albright, SD; Peng, R; Pu, Y; Kumah, D; Lau, C; Simon, GH; Dagdeviren, OE; He, X; BoŽović, I; Schwarz, UD; Altman, EI ...
Published in: Physical Review B
May 16, 2016

We determine the surface reconstruction of SrTiO3 used to achieve superconducting FeSe films in experiments, which is different from the 1×1TiO2-terminated SrTiO3 assumed by most previous theoretical studies. In particular, we identify the existence of a double TiO2 layer at the FeSe/SrTiO3 interface that plays two important roles. First, it facilitates the epitaxial growth of FeSe. Second, ab initio calculations reveal a strong tendency for electrons to transfer from an oxygen deficient SrTiO3 surface to FeSe when the double TiO2 layer is present. The double layer helps to remove the hole pocket in the FeSe at the Γ point of the Brillouin zone and leads to a band structure characteristic of superconducting samples. The characterization of the interface structure presented here is a key step towards the resolution of many open questions about this superconductor.

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Published In

Physical Review B

DOI

EISSN

2469-9969

ISSN

2469-9950

Publication Date

May 16, 2016

Volume

93

Issue

18

Related Subject Headings

  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
 

Citation

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Zou, K., Mandal, S., Albright, S. D., Peng, R., Pu, Y., Kumah, D., … Ahn, C. H. (2016). Role of double Ti O2 layers at the interface of FeSe/ SrTi O3 superconductors. Physical Review B, 93(18). https://doi.org/10.1103/PhysRevB.93.180506
Zou, K., S. Mandal, S. D. Albright, R. Peng, Y. Pu, D. Kumah, C. Lau, et al. “Role of double Ti O2 layers at the interface of FeSe/ SrTi O3 superconductors.” Physical Review B 93, no. 18 (May 16, 2016). https://doi.org/10.1103/PhysRevB.93.180506.
Zou K, Mandal S, Albright SD, Peng R, Pu Y, Kumah D, et al. Role of double Ti O2 layers at the interface of FeSe/ SrTi O3 superconductors. Physical Review B. 2016 May 16;93(18).
Zou, K., et al. “Role of double Ti O2 layers at the interface of FeSe/ SrTi O3 superconductors.” Physical Review B, vol. 93, no. 18, May 2016. Scopus, doi:10.1103/PhysRevB.93.180506.
Zou K, Mandal S, Albright SD, Peng R, Pu Y, Kumah D, Lau C, Simon GH, Dagdeviren OE, He X, BoŽović I, Schwarz UD, Altman EI, Feng D, Walker FJ, Ismail-Beigi S, Ahn CH. Role of double Ti O2 layers at the interface of FeSe/ SrTi O3 superconductors. Physical Review B. 2016 May 16;93(18).

Published In

Physical Review B

DOI

EISSN

2469-9969

ISSN

2469-9950

Publication Date

May 16, 2016

Volume

93

Issue

18

Related Subject Headings

  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences