Communication: Surface stability and topological surface states of cleaved Bi2Se3: First-principles studies

Zhang, Yanning

doi:10.1063/1.4933298

Cited by 14 publications

(18 citation statements)

References 30 publications

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“…The simulations shown in Fig. 2, however, do not reveal a peak between 20 and 40 , implying that trajectory 3sb does not create a flux peak. Note that simulations using a full QL still do not reveal a peak corresponding to feature 3.…”

Section: E104-mentioning

confidence: 86%

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Detailed analysis of impact collision ion scattering spectroscopy of bismuth selenide

Zhou

Zhu

Yarmoff

2017

Journal of Vacuum Science &Amp; Technology A: Vacuum, Surfaces, and Films

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Impact collision ion scattering spectroscopy (ICISS), which is a variation of low energy ion scattering (LEIS) that employs large scattering angles, is performed on Bi 2 Se 3 surfaces prepared by ion bombardment and annealing. ICISS angular scans are collected experimentally and simulated numerically along the [120] and [ 1 20] azimuths, and the match of the positions of the flux peaks shows that the top three atomic layers are bulk-terminated. A newly observed feature is identified as a minimum in the multiple scattering background when the ion beam incidence is along a low index direction. Calculated scans as a function of scattering angle are employed to identify the behavior of flux peaks to show whether they originate from shadowing, blocking or both. This new method for analysis of large-angle LEIS data is shown to be useful for accurately investigating complex surface structures.

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Section: E104-mentioning

confidence: 86%

“…The TSS exist completely within the uppermost QL, 14,17 although there can be a contribution from the second uppermost QL for some surface structures. [18][19][20] Thus, a determination of the atomic structure of the outermost layers of Bi 2 Se 3 is crucial to understand and control its novel electronic properties.…”

Section: Previousmentioning

confidence: 99%

Detailed analysis of impact collision ion scattering spectroscopy of bismuth selenide

Zhou

Zhu

Yarmoff

2017

Journal of Vacuum Science &Amp; Technology A: Vacuum, Surfaces, and Films

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“…An interesting aspect of the Bi/Bi2Se3 system is the unique stability of a single deposited BL. Density functional theory (DFT) calculations show that the single BL-terminated structure has a lower surface energy than the bare Se-terminated surface [21,22] and there is a stronger bonding between a QL and a Bi BL than there is between QLs [23,24]. In support of this notion, Bi2Se3 surfaces terminated with a single Bi BL have been found to spontaneously form on in-situ [22] and ex-situ [25] cleaved samples.…”

Section: Introductionmentioning

confidence: 99%

The growth of bismuth on Bi2Se3 and the stability of the first bilayer

Zhu¹,

Zhou²,

Yarmoff³

2018

Thin Solid Films

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Bi(0001) films with thicknesses up to several bilayers (BLs) are grown on Se-terminated Bi2Se3(0001) surfaces, and low energy electron diffraction (LEED), low energy ion scattering (LEIS) and atomic force microscopy (AFM) are used to investigate the surface composition, topography and atomic structure. For a single deposited Bi BL, the lattice constant matches that of the substrate and the Bi atoms adjacent to the uppermost Se atoms are located at fcc-like sites.When a 2 nd Bi bilayer is deposited, it is incommensurate with the substrate. As the thickness of the deposited Bi film increases further, the lattice parameter evolves to that of bulk Bi(0001). After annealing a multiple BL film at 120°C, the first commensurate Bi BL remains intact, but the additional BLs aggregate to form thicker islands of Bi. These results show that a single Bi BL on Bi2Se3 is a particularly stable structure. After annealing to 490°C, all of the excess Bi desorbs and the Se-terminated Bi2Se3 surface is restored.

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“…The (111) surface termination in such systems is preferred as they naturally cleave between the subsequent QLs due to weak van der Waals interactions that hold QLs together (as opposed to strong chemical bonds within a QL). It has been demonstrated, however, that the cleaved

{Bi}_{2} {Te}_{3}

and

{Bi}_{2} {Se}_{3}

systems can exhibit various terminations depending on sample preparation method or storage conditions .…”

Section: Introductionmentioning

confidence: 99%

Topological electronic effects in exfoliated thin films of bismuth telluride

Hermanowicz

Radny

2017

Physica Status Solidi (b)

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An important aspect of band gap engineering in 2D thin films of topological insulators is determining their surface electronic properties at various atomic terminations. In this work, the electronic structure evolution of thin films of bismuth telluride (Bi2Te3) with varying surface termination is discussed based on density functional theory. The reported electronic effects include closure of the hybridization energy band gap and distinct spatial charge localization of topological surface states on two types of defected surfaces –Te and Bi‐terminated. The observed band gap value changes periodically every five monolayers following the quintuple‐based layered structure. The studied system shares, to a large extent, the main features with thin films of bismuth selenide (Bi2Se3), although with a stronger size effect.

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Communication: Surface stability and topological surface states of cleaved Bi2Se3: First-principles studies

Cited by 14 publications

References 30 publications

Detailed analysis of impact collision ion scattering spectroscopy of bismuth selenide

Detailed analysis of impact collision ion scattering spectroscopy of bismuth selenide

The growth of bismuth on Bi2Se3 and the stability of the first bilayer

Topological electronic effects in exfoliated thin films of bismuth telluride

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