(Tl, Au)/Si(1 1 1)${\sqrt7 \times \sqrt7}$ 2D compound: an ordered array of identical Au clusters embedded in Tl matrix

Mihalyuk, A.N.; Hsing, Cheng‐Rong; Wei, C. M.; Eremeev, S. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Грузнев, Д. В.; Зотов, А. В.; Саранин, А. А.

doi:10.1088/1361-648x/aa9e2d

Cited by 4 publications

(15 citation statements)

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“…Figure (a) shows STM image of the typical (Tl, Au)/Si(111) sample surface. The surface shows up as hexagonal arrays of round protrusions which were found to correspond to the cherry Tl atoms . One can see that about 20% of the cherry atom sites are vacant, that yields a mean distance between these surface defects of ∼30 Å.…”

Section: Resultsmentioning

confidence: 97%

“…To set the stage, let us briefly summarize the available information on the formation procedure, composition, atomic arrangement, and electronic band structure of the (Tl, Au)/Si(111) 2D compound . The compound was found to form when ∼1.5 ML (monolayer) of Au is deposited onto the Tl/Si(111) surface which contains about 1.5 ML of Tl and comprises a mixture of the single-layer Si(111)1 × 1-Tl phase with 1.0 ML of Tl , and the double-layer Si(111)6 × 6-Tl phase with 2.4 ML of Tl, − the sample being held at room temperature (RT) during Au deposition.…”

Section: Resultsmentioning

confidence: 99%

“…(a) Structural model and (b) calculated electron band structure of the (Tl, Au)/Si(111) surface calculated in the SBZ (after ref ). Correspondence of the circles of various size and color in (a) to the various atomic species (Tl, Au, and Si) residing in various layers are given by the legend presented in the low panel.…”

Section: Resultsmentioning

confidence: 99%

“…(a) Fermi map the (Tl, Au)/Si(111) surface (after ref ). (b) Fermi rings for a free-electron 2D gas superposed with an extended SBZ.…”

Section: Resultsmentioning

confidence: 99%

“…The current interest in this research field is strongly focused on the atomic layers built of heavy elements with a strong spin–orbit coupling (SOC). In such 2D systems, the space-inversion symmetry is broken due to structural inversion asymmetry of the layer-substrate interface, and the SOC leads to the lifted spin degeneracy and occurrence of the spin-split surface-state bands, as predicted by the Rashba–Bychkov model. , Indeed, considerable (even “giant”) Rashba-type spin splitting has been experimentally detected in many systems, e.g., in the one-atomic layers of Tl − and Bi ,− on Si(111), in Pb , and Au − layers on Ge(111), as well as in numerous 2D compounds containing a metal with a strong SOC and another suitable metal on Si(111) and Ge(111), , in particular in the recently found (Tl, Au)/Si(111) compound …”

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confidence: 99%

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Weak Antilocalization at the Atomic-Scale Limit of Metal Film Thickness

et al. 2018

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Creation of the 2D metallic layers with the thickness as small as a few atomic layers and investigation of their properties are interesting and challenging tasks of the modern condensed-matter physics. One of the possible ways to grow such layers resides in the synthesis of the so-called metal-induced reconstructions on silicon (i.e., silicon substrates covered with ordered metal films of monolayer or submonolayer thickness). The 2D Au–Tl compound on Si(111) surface having periodicity belongs to the family of the reconstructions incorporating heavy-metal atoms with a strong spin–orbit coupling (SOC). In such systems, strong SOC results in the spin-splitting of surface-state bands due to the Rashba effect, the occurrence of which was experimentally proved. Another remarkable consequence of a strong SOC that manifests itself in the transport properties is a weak antilocalization (WAL) effect, which has never been explored in the metal layers of atomic thickness. In the present study, the transport and magnetotransport properties of the 2D Au–Tl compound on Si(111) surface were investigated at low temperatures down to ∼2.0 K. The compound was proved to show behavior of the 2D nearly free electron gas system with metallic conduction, as indicated by Ioffe–Regel criterion. It demonstrates the WAL effect which is interpreted in the framework of Hikami–Larkin–Nagaoka theory, and possible mechanisms of the electron decoherence are discussed. Bearing in mind that besides the (Au, Tl)/Si(111) system, there are many other ordered atomic-layer metal films on silicon differing by composition, structure, strength of SOC, and spin texture, which provide a promising area for prospective investigations of the WAL effect at the atomic-scale limit when the film thickness is less than the electron wavelength.

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Section: Resultsmentioning

confidence: 97%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

“…(a) Fermi map the (Tl, Au)/Si(111) surface (after ref ). (b) Fermi rings for a free-electron 2D gas superposed with an extended SBZ.…”

Section: Resultsmentioning

confidence: 99%

mentioning

confidence: 99%

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Weak Antilocalization at the Atomic-Scale Limit of Metal Film Thickness

et al. 2018

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Improved LDA-1/2 method for band structure calculations in covalent semiconductors

Xue

Yuan

Fonseca

et al. 2018

Computational Materials Science

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DFT-1/2 and shell DFT-1/2 methods: electronic structure calculation for semiconductors at LDA complexity

Mao

Yan

Xue

et al. 2022

J. Phys.: Condens. Matter

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It is known that the Kohn-Sham eigenvalues do not characterize experimental excitation energies directly, and the band gap of a semiconductor is typically underestimated by local density approximation (LDA) of density functional theory (DFT). An embarrassing situation is that one usually uses LDA+U for strongly correlated materials with rectified band gaps, but for non-strongly-correlated semiconductors one has to resort to expensive methods like hybrid functionals or GW. In spite of the state-of-the-art meta-GGA functionals like TB09 and SCAN, methods with LDA-level complexity to rectify the semiconductor band gaps are in high demand. DFT-1/2 stands as a feasible approach and has been more widely used in recent years. In this work we give a detailed derivation of the Slater half occupation technique, and review the assumptions made by DFT-1/2 in semiconductor band structure calculations. In particular, the self-energy potential approach is verified through mathematical derivations. The aims, features and principles of shell DFT-1/2 for covalent semiconductors are also accounted for in great detail. Other developments of DFT-1/2 including conduction band correction, DFT+A-1/2, empirical formula for the self-energy potential cutoff radius, etc., are further reviewed. The relations of DFT-1/2 to hybrid functional, sX-LDA, GW, self-interaction correction, scissor’s operator as well as DFT+U are explained. Applications, issues and limitations of DFT-1/2 are comprehensively included in this review.

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(Tl, Au)/Si(1 1 1)${\sqrt7 \times \sqrt7}$ 2D compound: an ordered array of identical Au clusters embedded in Tl matrix

Cited by 4 publications

References 28 publications

Weak Antilocalization at the Atomic-Scale Limit of Metal Film Thickness

Weak Antilocalization at the Atomic-Scale Limit of Metal Film Thickness

Improved LDA-1/2 method for band structure calculations in covalent semiconductors

DFT-1/2 and shell DFT-1/2 methods: electronic structure calculation for semiconductors at LDA complexity

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