English

Decagonal Sn clathrate on $d$-Al-Ni-Co

Materials Science 2023-01-16 v1

Abstract

Decagonal quasiperiodic ordering of Sn thin film on dd-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 up to a large film thickness of 10 nm grown at a 165±\pm10 K. 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. Due to the excellent lattice matching (to within 1%) between columns of Sn dodecahedra in the clathrate structure and pentagonal motifs at the dd-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 clathrate self-separation energy. The relaxed surface terminations of the R2_2T4_4 clathrate approximant are in self-similarity correspondence with the motifs observed in the STM images from monolayer to thickest Sn film.

Keywords

Cite

@article{arxiv.2212.09540,
  title  = {Decagonal Sn clathrate on $d$-Al-Ni-Co},
  author = {Vipin Kumar Singh and Eva Pospisilova and Marek Mihalkovič and Marian Krajčí and Pramod Bhakuni and Shuvam Sarkar and Katariina Pussi and D. L. Schlagel and T. A. Lograsso and Paul C. Canfield and Sudipta Roy Barman},
  journal= {arXiv preprint arXiv:2212.09540},
  year   = {2023}
}

Comments

Phys. Rev. B (in press) with 17 figures and 2 Tables in the main text. The supplementary material contains 9 figures, 3 Tables, one note, VASP CONTCAR files, and LEED video files

R2 v1 2026-06-28T07:42:25.819Z