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Title: Atomic and electronic structures of single-layer FeSe on SrTiO 3(001): The role of oxygen deficiency

Abstract

Using first-principles calculation, we propose an interface structure for single triple-layer FeSe on the SrTiO 3(001) surface, a high-T c superconductor found recently. The key component of this structure is the oxygen deficiency on the top layer of the SrTiO 3 substrate, as a result of Se etching used in preparing the high-T c 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 T c 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.

Authors:
; ; ; ; ; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1102820
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review. B. Condensed Matter and Materials Physics
Additional Journal Information:
Journal Name: Physical Review. B. Condensed Matter and Materials Physics Journal Volume: 87 Journal Issue: 22; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Bang, Junhyeok, Li, Zhi, Sun, Y. Y., Samanta, Amit, Zhang, Y. Y., Zhang, Wenhao, Wang, Lili, Chen, X., Ma, Xucun, Xue, Q.-K., and Zhang, S. B. Atomic and electronic structures of single-layer FeSe on SrTiO3(001): The role of oxygen deficiency. United States: N. p., 2013. Web. doi:10.1103/PhysRevB.87.220503.
Bang, Junhyeok, Li, Zhi, Sun, Y. Y., Samanta, Amit, Zhang, Y. Y., Zhang, Wenhao, Wang, Lili, Chen, X., Ma, Xucun, Xue, Q.-K., & Zhang, S. B. Atomic and electronic structures of single-layer FeSe on SrTiO3(001): The role of oxygen deficiency. United States. doi:10.1103/PhysRevB.87.220503.
Bang, Junhyeok, Li, Zhi, Sun, Y. Y., Samanta, Amit, Zhang, Y. Y., Zhang, Wenhao, Wang, Lili, Chen, X., Ma, Xucun, Xue, Q.-K., and Zhang, S. B. Thu . "Atomic and electronic structures of single-layer FeSe on SrTiO3(001): The role of oxygen deficiency". United States. doi:10.1103/PhysRevB.87.220503.
@article{osti_1102820,
title = {Atomic and electronic structures of single-layer FeSe on SrTiO3(001): The role of oxygen deficiency},
author = {Bang, Junhyeok and Li, Zhi and Sun, Y. Y. and Samanta, Amit and Zhang, Y. Y. and Zhang, Wenhao and Wang, Lili and Chen, X. and Ma, Xucun and Xue, Q.-K. and Zhang, S. B.},
abstractNote = {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.},
doi = {10.1103/PhysRevB.87.220503},
journal = {Physical Review. B. Condensed Matter and Materials Physics},
number = 22,
volume = 87,
place = {United States},
year = {Thu Jun 06 00:00:00 EDT 2013},
month = {Thu Jun 06 00:00:00 EDT 2013}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1103/PhysRevB.87.220503

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Cited by: 45 works
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Works referenced in this record:

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