Theory versus experiment for a family of single-layer compounds with a similar atomic arrangement: (Tl,X)/Si(111)3×3(X=Pb,Sn,Bi,Sb,Te,Se)

A. V. Matetskiy, I. A. Kibirev, A. N. Mihalyuk, S. V. Eremeev, D. V. Gruznev, L. V. Bondarenko, A. Y. Tupchaya, A. V. Zotov, and A. A. Saranin
Phys. Rev. B 96, 085409 – Published 7 August 2017

Abstract

Two-dimensional compounds made of one monolayer of Tl and one-third monolayer of Pb, Bi, Te, or Se (but not of Sn or Sb) on Si(111) have been found to have a similar atomic arrangement which can be visualized as a 3×3-periodic honeycomb network of chained Tl trimers with atoms of the second adsorbate occupying the centers of the honeycomb units. Structural and electronic properties of the compounds have been examined in detail theoretically using density functional theory (DFT) calculations and experimentally using low-energy electron diffraction (LEED), scanning tunneling microscopy (STM), and angle-resolved photoelectron spectroscopy (ARPES) observations. It has been found that though structural parameters of the compounds are very similar for all species, the only common feature of their band structure is a considerable spin-splitting of the surface-state bands, while other basic electronic properties vary greatly with a change of species. The Tl-Pb compound is strongly metallic with two metallic surface-state bands; the Tl-Bi compound is also metallic but with a single metallic band; the Tl-Te and Tl-Se compounds appear to be insulators.

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  • Received 28 April 2017
  • Revised 22 June 2017

DOI:https://doi.org/10.1103/PhysRevB.96.085409

©2017 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

A. V. Matetskiy1, I. A. Kibirev1,2, A. N. Mihalyuk1,2, S. V. Eremeev3,4, D. V. Gruznev1, L. V. Bondarenko1, A. Y. Tupchaya1, A. V. Zotov1,2, and A. A. Saranin1,2

  • 1Institute of Automation and Control Processes FEB RAS, 690041 Vladivostok, Russia
  • 2School of Natural Sciences, Far Eastern Federal University, 690091 Vladivostok, Russia
  • 3Institute of Strength Physics and Materials Science, 634021 Tomsk, Russia
  • 4Department of Physics, Tomsk State University, 634050 Tomsk, Russia

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Issue

Vol. 96, Iss. 8 — 15 August 2017

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