Surface reconstructions and electronic structure of metallic delafossite thin films

Q Song; Z He; B D Faeth; C T Parzyck; A Scheid; C J Mowers; Y Feng; Q Xu; S  Hasko; J Park; M R Barone; Y Eren Suyolcu; P A van Aken; B Pamuk; C J Fennie; Phil D C King; K M Shen; D G Schlom

doi:10.1063/5.0217540

Surface reconstructions and electronic structure of metallic delafossite thin films

Q Song^*, Z He, B D Faeth, C T Parzyck, A Scheid, C J Mowers, Y Feng, Q Xu, S Hasko, J Park, M R Barone, Y Eren Suyolcu, P A van Aken, B Pamuk, C J Fennie, Phil D C King, K M Shen, D G Schlom^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

The growing interest in the growth and study of thin films of low-dimensional metallic delafossites, with the general formula ABO₂, is driven by their potential to exhibit electronic and magnetic characteristics that are not accessible in bulk systems. The layered structure of these compounds introduces unique surface states as well as electronic and structural reconstructions, making the investigation of their surface behavior pivotal to understanding their intrinsic electronic structure. In this work, we study the surface phenomena of epitaxially grown PtCoO₂, PdCoO₂, and PdCrO₂ films, utilizing a combination of molecular-beam epitaxy and angle-resolved photoemission spectroscopy. Through precise control of surface termination and treatment, we discover a pronounced √3 x √3 surface reconstruction in PtCoO₂ films and PdCoO₂ films, alongside a 2 × 2 surface reconstruction observed in PdCrO₂ films. These reconstructions have not been reported in prior studies of delafossites. Furthermore, our computational investigations demonstrate the BO₂ surface’s relative stability compared to the A-terminated surface and the significant reduction in surface energy facilitated by the reconstruction of the A-terminated surface. These experimental and theoretical insights illuminate the complex surface dynamics in metallic delafossites, paving the way for future explorations of their distinctive properties in low-dimensional studies.

Original language	English
Article number	081117
Number of pages	9
Journal	APL Materials
Volume	12
Issue number	8
Early online date	15 Aug 2024
DOIs	https://doi.org/10.1063/5.0217540
Publication status	Published - Aug 2024

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10.1063/5.0217540Licence: CC BY-NC

Song--2024-Surface-reconstructions-and-electronic-APLMat-12-8-081117-CCBY
Copyright © 2024 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC) license (https://creativecommons.org/licenses/by-nc/4.0/).
Final published version, 12 MBLicence: CC BY-NC

1 Finished
1 Active

Unveiling the electronic structure of infinite-layer nickelate superconductors
King, P. (PI)
The Leverhulme Trust
1/05/24 → 30/04/28
Project: Standard
ERC Starting Grant QUESTDO: H2020 ERC Starting Grant QUESTDO
King, P. (PI)
European Research Council
1/01/17 → 31/12/21
Project: Fellowship

Dataset: Surface reconstructions and electronic structure of metallic delafossite thin films
Song, Q. (Creator), He, Z. (Creator), Faeth, B. (Creator), Parzyck, C. (Creator), Scheid, A. (Creator), Mowers, C. (Creator), Feng, Y. (Creator), Xu, Q. (Creator), Hasko, S. (Creator), Park, J. (Creator), Barone, M. (Creator), Suyolcu, Y. E. (Creator), van Ake, P. (Creator), Pamuk, B. (Creator), fennie, C. J. (Creator), King, P. (Creator), Shen, K. (Creator) & Schlom, D. (Creator), PARADIM, 2024
DOI: 10.34863/0ngf-h790
Dataset

Cite this

Song, Q., He, Z., Faeth, B. D., Parzyck, C. T., Scheid, A., Mowers, C. J., Feng, Y., Xu, Q., Hasko, S., Park, J., Barone, M. R., Suyolcu, Y. E., van Aken, P. A., Pamuk, B., Fennie, C. J., King, P. D. C., Shen, K. M., & Schlom, D. G. (2024). Surface reconstructions and electronic structure of metallic delafossite thin films. APL Materials, 12(8), Article 081117. https://doi.org/10.1063/5.0217540

@article{c7feef481b5f405a994d4e7d63aabb86,

title = "Surface reconstructions and electronic structure of metallic delafossite thin films",

abstract = "The growing interest in the growth and study of thin films of low-dimensional metallic delafossites, with the general formula ABO2, is driven by their potential to exhibit electronic and magnetic characteristics that are not accessible in bulk systems. The layered structure of these compounds introduces unique surface states as well as electronic and structural reconstructions, making the investigation of their surface behavior pivotal to understanding their intrinsic electronic structure. In this work, we study the surface phenomena of epitaxially grown PtCoO2, PdCoO2, and PdCrO2 films, utilizing a combination of molecular-beam epitaxy and angle-resolved photoemission spectroscopy. Through precise control of surface termination and treatment, we discover a pronounced √3 x √3 surface reconstruction in PtCoO2 films and PdCoO2 films, alongside a 2 × 2 surface reconstruction observed in PdCrO2 films. These reconstructions have not been reported in prior studies of delafossites. Furthermore, our computational investigations demonstrate the BO2 surface{\textquoteright}s relative stability compared to the A-terminated surface and the significant reduction in surface energy facilitated by the reconstruction of the A-terminated surface. These experimental and theoretical insights illuminate the complex surface dynamics in metallic delafossites, paving the way for future explorations of their distinctive properties in low-dimensional studies.",

author = "Q Song and Z He and Faeth, {B D} and Parzyck, {C T} and A Scheid and Mowers, {C J} and Y Feng and Q Xu and S Hasko and J Park and Barone, {M R} and Suyolcu, {Y Eren} and {van Aken}, {P A} and B Pamuk and Fennie, {C J} and King, {Phil D C} and Shen, {K M} and Schlom, {D G}",

note = "Funding: This paper was primarily supported by the U.S. Department of Energy, Office of Basic Sciences, Division of Materials Science and Engineering under Award No. DE-SC0002334. This research was funded in part by the Gordon and Betty Moore Foundation{\textquoteright}s EPiQS Initiative (Grant Nos. GBMF3850 and GBMF9073 to Cornell University). This paper made use of the Cornell Center for Materials Research shared facilities, which are supported through the NSF Materials Research Science and Engineering Centers Program (Grant No. DMR-1719875). B.D.F., M.R.B., and B.P. acknowledge support from the National Science Foundation Platform for the Accelerated Realization, Analysis, and Discovery of Interface Materials (PARADIM) under Cooperative Agreement No. DMR-2039380. This paper also made use of the Cornell Energy Systems Institute Shared Facilities partly sponsored by the NSF (Grant No. MRI DMR-1338010) and the Kavli Institute at Cornell. Substrate preparation was performed, in part, at the Cornell NanoScale Facility, a member of the National Nanotechnology Coordinated Infrastructure, which is supported by the NSF (Grant No. NNCI-2025233). P.K. acknowledges support from the European Research Council (through the QUESTDO project, 714193) and The Leverhulme Trust (grant No. RPG-2023-256).",

year = "2024",

month = aug,

doi = "10.1063/5.0217540",

language = "English",

volume = "12",

journal = "APL Materials",

issn = "2166-532X",

publisher = "American Institute of Physics",

number = "8",

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TY - JOUR

T1 - Surface reconstructions and electronic structure of metallic delafossite thin films

AU - Song, Q

AU - He, Z

AU - Faeth, B D

AU - Parzyck, C T

AU - Scheid, A

AU - Mowers, C J

AU - Feng, Y

AU - Xu, Q

AU - Hasko, S

AU - Park, J

AU - Barone, M R

AU - Suyolcu, Y Eren

AU - van Aken, P A

AU - Pamuk, B

AU - Fennie, C J

AU - King, Phil D C

AU - Shen, K M

AU - Schlom, D G

N1 - Funding: This paper was primarily supported by the U.S. Department of Energy, Office of Basic Sciences, Division of Materials Science and Engineering under Award No. DE-SC0002334. This research was funded in part by the Gordon and Betty Moore Foundation’s EPiQS Initiative (Grant Nos. GBMF3850 and GBMF9073 to Cornell University). This paper made use of the Cornell Center for Materials Research shared facilities, which are supported through the NSF Materials Research Science and Engineering Centers Program (Grant No. DMR-1719875). B.D.F., M.R.B., and B.P. acknowledge support from the National Science Foundation Platform for the Accelerated Realization, Analysis, and Discovery of Interface Materials (PARADIM) under Cooperative Agreement No. DMR-2039380. This paper also made use of the Cornell Energy Systems Institute Shared Facilities partly sponsored by the NSF (Grant No. MRI DMR-1338010) and the Kavli Institute at Cornell. Substrate preparation was performed, in part, at the Cornell NanoScale Facility, a member of the National Nanotechnology Coordinated Infrastructure, which is supported by the NSF (Grant No. NNCI-2025233). P.K. acknowledges support from the European Research Council (through the QUESTDO project, 714193) and The Leverhulme Trust (grant No. RPG-2023-256).

PY - 2024/8

Y1 - 2024/8

N2 - The growing interest in the growth and study of thin films of low-dimensional metallic delafossites, with the general formula ABO2, is driven by their potential to exhibit electronic and magnetic characteristics that are not accessible in bulk systems. The layered structure of these compounds introduces unique surface states as well as electronic and structural reconstructions, making the investigation of their surface behavior pivotal to understanding their intrinsic electronic structure. In this work, we study the surface phenomena of epitaxially grown PtCoO2, PdCoO2, and PdCrO2 films, utilizing a combination of molecular-beam epitaxy and angle-resolved photoemission spectroscopy. Through precise control of surface termination and treatment, we discover a pronounced √3 x √3 surface reconstruction in PtCoO2 films and PdCoO2 films, alongside a 2 × 2 surface reconstruction observed in PdCrO2 films. These reconstructions have not been reported in prior studies of delafossites. Furthermore, our computational investigations demonstrate the BO2 surface’s relative stability compared to the A-terminated surface and the significant reduction in surface energy facilitated by the reconstruction of the A-terminated surface. These experimental and theoretical insights illuminate the complex surface dynamics in metallic delafossites, paving the way for future explorations of their distinctive properties in low-dimensional studies.

AB - The growing interest in the growth and study of thin films of low-dimensional metallic delafossites, with the general formula ABO2, is driven by their potential to exhibit electronic and magnetic characteristics that are not accessible in bulk systems. The layered structure of these compounds introduces unique surface states as well as electronic and structural reconstructions, making the investigation of their surface behavior pivotal to understanding their intrinsic electronic structure. In this work, we study the surface phenomena of epitaxially grown PtCoO2, PdCoO2, and PdCrO2 films, utilizing a combination of molecular-beam epitaxy and angle-resolved photoemission spectroscopy. Through precise control of surface termination and treatment, we discover a pronounced √3 x √3 surface reconstruction in PtCoO2 films and PdCoO2 films, alongside a 2 × 2 surface reconstruction observed in PdCrO2 films. These reconstructions have not been reported in prior studies of delafossites. Furthermore, our computational investigations demonstrate the BO2 surface’s relative stability compared to the A-terminated surface and the significant reduction in surface energy facilitated by the reconstruction of the A-terminated surface. These experimental and theoretical insights illuminate the complex surface dynamics in metallic delafossites, paving the way for future explorations of their distinctive properties in low-dimensional studies.

U2 - 10.1063/5.0217540

DO - 10.1063/5.0217540

M3 - Article

SN - 2166-532X

VL - 12

JO - APL Materials

JF - APL Materials

IS - 8

M1 - 081117

ER -

Surface reconstructions and electronic structure of metallic delafossite thin films

Abstract

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Projects

Unveiling the electronic structure of infinite-layer nickelate superconductors

ERC Starting Grant QUESTDO: H2020 ERC Starting Grant QUESTDO

Datasets

Dataset: Surface reconstructions and electronic structure of metallic delafossite thin films

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