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Register a new userA Surface Reconstruction with a Fractional Hole: $(sqrt{5}timessqrt{5}) R26.6^circ$ LaAlO$_3$ (001)
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The structure of the $(sqrt{5}timessqrt{5})R26.6^circ$ reconstruction of LaAlO$_3$ (001) has been determined using transmission electron diffraction combined with direct methods. The structure is relatively simple, consisting of a lanthanum oxide termination with one lanthanum cation vacancy per surface unit cell. The electronic structure is unusual since a fractional number of holes or atomic occupancies per surface unit cell are required to achieve charge neutrality. Density functional calculations indicate that the charge compensation mechanism occurs by means of highly delocalized holes. The surface contains no oxygen vacancies and with a better than 99% confidence level, the holes are not filled with hydrogen. The reconstruction can be understood in terms of expulsion of the more electropositive cation from the surface followed by an increased covalency between the remaining surface lanthanum atoms and adjacent oxygen atoms.
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We studied surface and electronic structures of barium stannate (BaSnO$_3$) thin-film by low energy electron diffraction (LEED), and angle-resolved photoemission spectroscopy (ARPES) techniques. BaSnO$_3$/Ba$_{0.96}$La$_{0.04}$SnO$_3$/SrTiO$_3$ (10 nm/100 nm/0.5 mm) samples were grown using pulsed-laser deposition (PLD) method and were emph{ex-situ} transferred from PLD chamber to ultra-high vacuum (UHV) chambers for annealing, LEED and ARPES studies. UHV annealing starting from 300$^{circ}$C up to 550$^{circ}$C, followed by LEED and ARPES measurements show 1$times$1 surfaces with non-dispersive energy-momentum bands. The 1$times$1 surface reconstructs into a $sqrt{2}$$times$$sqrt{2}R45^circ$ one at the annealing temperature of 700$^{circ}$C where the ARPES data shows clear dispersive bands with valence band maximum located around 3.3 eV below Fermi level. While the $sqrt{2}$$times$$sqrt{2}R45^circ$ surface reconstruction is stable under further UHV annealing, it is reversed to 1$times$1 surface by annealing the sample in 400 mTorr oxygen at 600$^{circ}$C. Another UHV annealing at 600$^{circ}$C followed by LEED and ARPES measurements, suggests that LEED $sqrt{2}$$times$$sqrt{2}R45^circ$ surface reconstruction and ARPES dispersive bands are reproduced. Our results provide a better picture of electronic structure of BaSnO$_3$ surface and are suggestive of role of oxygen vacancies in the reversible $sqrt{2}$$times$$sqrt{2}R45^circ$ surface reconstruction.
Combining high-resolution core-level spectroscopy (HRCLS), scanning tunneling microscopy (STM) and density-functional theory (DFT) calculations we reanalyze the Pd(100)-(SQRT(5) x SQRT(5) R27^o)-O surface oxide phase. We find that the prevalent structural model, a rumpled PdO(001) film suggested by previous low energy electron diffraction (LEED) work (M. Saidy et al., Surf. Sci. 494, L799 (2001)), is incompatible with all three employed methods. Instead, we suggest the two-dimensional film to consist of a strained PdO(101) layer on top of Pd(100). LEED intensity calculations show that this model is compatible with the experimental data of Saidy et al.
Surface photovoltage (SPV) spectroscopy, which is a versatile method to analyze the energetic distribution of electronic defect states at surfaces and interfaces of wide-bandgap semiconductor (hetero-)structures, is applied to comparatively investigate heterostructures made of 5-unit-cell-thick LaAlO$_3$ films grown either on TiO$_2$- or on SrO-terminated SrTiO$_3$. As shown in a number of experimental and theoretical investigations in the past, these two interfaces exhibit dramatically different properties with the first being conducting and the second insulating. Our present SPV investigation reveals clearly distinguishable interface defect state distributions for both configurations when interpreted within the framework of a classical semiconductor band scheme. Furthermore, bare SrTiO$_3$ crystals with TiO$_2$ or mixed SrO/TiO$_2$ terminations show similar SPV spectra and transients as do LaAlO$_3$-covered samples with the respective termination of the SrTiO$_3$ substrate. This is in accordance with a number of recent works that stress the decisive role of SrTiO$_3$ and the minor role of LaAlO$_3$ with respect to the electronic interface properties.
The surfaces of perovskite oxides affect their functional properties, and while a bulk-truncated (1$times$1) termination is generally assumed, its existence and stability is controversial. Here, such a surface is created by cleaving the prototypical SrTiO$_3$(001) in ultra-high vacuum, and its response to thermal annealing is observed. Atomically resolved nc-AFM shows that intrinsic point defects on the as-cleaved surface migrate at temperatures above 200,$^circ$C. At 400--500,$^circ$C, a disordered surface layer forms, albeit still with a (1$times$1) pattern in LEED. Purely TiO$_2$-terminated surfaces, prepared by wet-chemical treatment, are also disordered despite their (1$times$1) periodicity in LEED.
The epitaxial stabilization of a single layer or superlattice structures composed of complex oxide materials on polar (111) surfaces is severely burdened by reconstructions at the interface, that commonly arise to neutralize the polarity. We report on the synthesis of high quality LaNiO$_3$/mLaAlO$_3$ pseudo cubic (111) superlattices on polar (111)-oriented LaAlO$_3$, the proposed complex oxide candidate for a topological insulating behavior. Comprehensive X-Ray diffraction measurements, RHEED, and element specific resonant X-ray absorption spectroscopy affirm their high structural and chemical quality. The study offers an opportunity to fabricate interesting interface and topology controlled (111) oriented superlattices based on ortho-nickelates.
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