Decagonal Sn clathrate on d-Al-Ni-Co

Singh, Vipin Kumar; Pospíšilová, Eva; Mihalkovič, Marek; Krajčí, Marian; Bhakuni, Pramod; Sarkar, Shuvam; Pussi, Katariina; Schlagel, D. L.; Lograsso, T. A.; Canfield, Paul C.; Roy Barman, Sudipta

doi:10.1103/physrevb.107.045410

Title: Decagonal Sn clathrate on d-Al-Ni-Co

Journal Article · Thu Jan 12 00:00:00 EST 2023 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.107.045410· OSTI ID:1915383

Singh, Vipin Kumar ^[1]; Pospíšilová, Eva ^[2]; Mihalkovič, Marek ^[2];

^[2]; Bhakuni, Pramod ^[1]; Sarkar, Shuvam ^[1];

^[3]; Schlagel, D. L. ^[4]; Lograsso, T. A. ^[4]; Canfield, Paul C. ^[4];

^[1]

UGC-DAE Consortium for Scientific Research (India)
Slovak Academy of Sciences (Slovakia)
Lappeenranta-Lahti University of Technology (LUT) (Finland)
Ames Lab., and Iowa State Univ., Ames, IA (United States)

Decagonal quasiperiodic ordering of Sn thin films on d-Al-Ni-Co is shown based on scanning tunneling microscopy (STM), low-energy electron diffraction, and density functional theory (DFT). Interestingly, the decagonal structural correlations are partially retained even up to a large film thickness of 10 nm grown at 165±10K. The nucleation centers called “Sn white flowers” identified by STM at submonolayer thickness are recognized as valid patches of the decagonal clathrate structure with low adsorption energies of these motifs. Due to the excellent lattice matching (to within 1%) between columns of Sn dodecahedra in the clathrate structure and pentagonal motifs at the d-Al-Ni-Co surface, the interfacial energy favors clathrate over the competing Sn crystalline forms. DFT study of the Sn/Al-Ni-Co composite model shows good mechanical stability, as shown by the work of separation of Sn from Al-Ni-Co slab that is comparable to the clathrate self-separation energy. Finally, the relaxed surface terminations of the R₂T₄ clathrate approximant are in self-similarity correspondence with the motifs observed in the STM images from monolayer to the thickest Sn film.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1915383

Report Number(s):: IS-J 10,986; TRN: US2312228

Journal Information:: Physical Review. B, Vol. 107, Issue 4; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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75 CONDENSED MATTER PHYSICS
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Title: Decagonal Sn clathrate on d-Al-Ni-Co

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