Quest for a pristine unreconstructed 
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 surface: An atomically resolved study via noncontact atomic force microscopy

Sokolović, Igor; Franceschi, Giada; Wang, Zhi‐Chang; Xu, Jian; Pavelec, Jiří; Riva, Michele; Schmid, Michael; Diebold, Ulrike; Setvín, Martin

doi:10.1103/physrevb.103.l241406

Cited by 16 publications

(16 citation statements)

References 61 publications

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“…It is worth noting, however, that a recent work employing non‐contact atomic force microscopy pointed out that surface reconstructions on STO sometimes cannot be detected by techniques such as photoemission or LEED. [ 45 ]…”

Section: Resultsmentioning

confidence: 99%

“…It is worth noting, however, that a recent work employing non-contact atomic force microscopy pointed out that surface reconstructions on STO sometimes cannot be detected by techniques such as photoemission or LEED. [45] Figure 1d show the Fermi surfaces measured in the k z -k x plane (for k y = 0, marked by the dashed line in Figure 1a), around Γ 00 (at k x = 0) and Γ 10 (at k x ≈1.6 Å −1 ), obtained with circularly polarized (C + ) light. For the conversion from h𝜈 to k z an inner potential V 0 = 14.5 eV was used.…”

Section: Flat Srtio 3 Surfacementioning

confidence: 99%

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Universal Structural Influence on the 2D Electron Gas at SrTiO₃ Surfaces

et al. 2021

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The 2-dimensional electron gas (2DEG) found at the surface of SrTiO 3 and related interfaces has attracted significant attention as a promising basis for oxide electronics. In order to utilize its full potential, the response of this 2DEG to structural changes and surface modification must be understood in detail. Here, a study of the detailed electronic structure evolution of the 2DEG as a function of sample temperature and surface step density is presented. By comparing the experimental results with ab initio calculations, it is shown that local structure relaxations cause a metal-insulator transition of the system around 135 K. This study presents a new and simple way of tuning the 2DEG via surface vicinality and identifies how the operation of prospective devices will respond to changes in temperature.

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Section: Resultsmentioning

confidence: 99%

Section: Flat Srtio 3 Surfacementioning

confidence: 99%

Universal Structural Influence on the 2D Electron Gas at SrTiO₃ Surfaces

et al. 2021

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“…While LEED is generally referred to as a surface sensitive technique, it was recently shown on SrTiO 3 surfaces that a (1 × 1) pattern cannot warrant a pristine surface with a bulk‐truncated (1 × 1) termination. [ 34 ] In fact, LEED also probes the subsurface region about three monolayers deep. While smaller imperfections at the very surface may not necessarily be detected, a (1 × 1) LEED pattern fitting to ZGO indicates that the low annealing temperatures are sufficient to achieve crystallinity in the same information depth that is probed by ARPES.…”

Section: Resultsmentioning

confidence: 99%

Experimental and Theoretical Investigation of the Surface Electronic Structure of ZnGa₂O₄(100) Single‐Crystals

Reichmann

Dąbrowski

Becker

et al. 2021

Physica Status Solidi (b)

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Among the ultra-wide band gap transparent semiconducting oxides (TSOs), β-Ga 2 O 3 has attracted a lot of interest because its pseudo-direct band gap of 4.85 eV yields a high breakdown voltage and provides transparency in the UV-range. [1][2][3][4][5] These properties are accompanied by a good thermal stability, allowing the growth of bulk β-Ga 2 O 3 single crystals from the melt. [6,7] Accordingly, β-Ga 2 O 3 is seen as a potential candidate for high-power electronic devices and deep-UV optoelectronic devices. [8,9] The drawbacks are its mechanical, optical, and thermal anisotropies, due to the monoclinic crystal structure, which make the fabrication of substrates and devices a challenging task. [10] For applications, a material with a band gap as wide as that of β-Ga 2 O 3 , but of higher symmetry, would therefore be highly desirable. Recently, Galazka et al. reported bulk, melt-grown ZnGa 2 O 4 (ZGO) single-crystals of high structural quality, from which differently oriented insulating and semiconducting wafers could be prepared. [11,12] ZGO crystallizes in a cubic spinel structure (Fd3m space group), as illustrated with a ball and stick model in Figure 1. Spinel refers to a class of compounds with a chemical formula AB 2 X 4 , in which A is a divalent cation like Zn, B is a trivalent cation like Ga, and X is a divalent anion like O. In the normal spinel structure of ZGO, Zn occupies the tetrahedral sites, while Ga occupies the octahedral sites. During growth from the melt, at high temperatures, the occupation of octahedral, and tetrahedral sites is random. [11] A long cool down stabilizes the normal spinel structure, while antisite defects are introduced by shorter cool down times. Antisite defects lead to n-type conductivity with free electron concentrations in the order of 10 18 -10 19 cm À3 . Upon post-growth annealing at 800-1400 C for 10 h or 700 C for 40 h in oxidizing atmosphere ZGO crystals can turn into an insulating state. [11][12][13] Thanks to its cubic spinel structure, ZGO has isotropic thermal and optical properties. The optical band gap of ZGO was found to be 4.6 eV wide, close to that of β-Ga 2 O 3 and no preferred cleavage plane was observed. [11,12] These promising characteristics resulted in extensive research activities on the fundamental physical properties of the

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“…Figure 2(b) shows an unreconstructed SrO-terminated region on a cleaved SrTiO 3 (001) surface [49,50]. This termination consists of Sr and O atoms, organized in a (1 × 1) square pattern, with a characteristic concentration of 0.14 ± 0.02 monolayers of point defects in the form of Sr vacancies.…”

Section: Experimental and Simulated Afm Imagesmentioning

confidence: 99%

Automated real-space lattice extraction for atomic force microscopy images

Corrias

Papa²,

Sokolović³

et al. 2023

Mach. Learn.: Sci. Technol.

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Analyzing atomically resolved images is a time-consuming process requiring solid experience and substantial human intervention. In addition, the acquired images contain a large amount of information such as crystal structure, presence and distribution of defects, and formation of domains, which need to be resolved to understand a material's surface structure. Therefore, machine learning techniques have been applied in scanning probe and electron microscopies during the last years, aiming for automatized and efficient image analysis. This work introduces a free and open source tool (AiSurf: Automated Identification of Surface Images) developed to inspect atomically resolved images via Scale-Invariant Feature Transform (SIFT) and Clustering Algorithms (CA). AiSurf extracts primitive lattice vectors, unit cells, and structural distortions from the original image, with no pre-assumption on the lattice and minimal user intervention. The method is applied to various atomically resolved non-contact atomic force microscopy (AFM) images of selected surfaces with different levels of complexity: anatase TiO2(101), oxygen deficient rutile TiO2(110) with and without CO adsorbates, SrTiO3(001) with Sr vacancies and graphene with C vacancies. The code delivers excellent results and is tested against atom misclassification and artifacts, thereby facilitating the interpretation of scanning probe microscopy images.

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Quest for a pristine unreconstructed SrTiO3(001) surface: An atomically resolved study via noncontact atomic force microscopy

Cited by 16 publications

References 61 publications

Universal Structural Influence on the 2D Electron Gas at SrTiO₃ Surfaces

Universal Structural Influence on the 2D Electron Gas at SrTiO₃ Surfaces

Experimental and Theoretical Investigation of the Surface Electronic Structure of ZnGa₂O₄(100) Single‐Crystals

Automated real-space lattice extraction for atomic force microscopy images

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Quest for a pristine unreconstructed SrTiO3(001) surface: An atomically resolved study via noncontact atomic force microscopy

Cited by 16 publications

References 61 publications

Universal Structural Influence on the 2D Electron Gas at SrTiO3 Surfaces

Universal Structural Influence on the 2D Electron Gas at SrTiO3 Surfaces

Experimental and Theoretical Investigation of the Surface Electronic Structure of ZnGa2O4(100) Single‐Crystals

Automated real-space lattice extraction for atomic force microscopy images

Contact Info

Product

Resources

About

Universal Structural Influence on the 2D Electron Gas at SrTiO₃ Surfaces

Universal Structural Influence on the 2D Electron Gas at SrTiO₃ Surfaces

Experimental and Theoretical Investigation of the Surface Electronic Structure of ZnGa₂O₄(100) Single‐Crystals