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Seidl, A.; Görling, A.; Vogl, P.; Majewski, J. A.; Levy, M. Generalized Kohn-Sham schemes and the band-gap problem. Phys. Rev. B 1996, 53, 3764–3774. E. W. A. Young, J. C. Rivière and L. S. Welch, Investigation by X-ray photoelectron spectroscopy of the transient oxidation of NiAl, Appl. Surf. Sci., 1987, 28(1), 71–84 CrossRef CAS. Fig. 5 LEED patterns acquired from the Ni 3Al(111) surface after O 2 dosage of 162 L at T = 720 K (left), 134 L at T = 740 K (middle) and 166 L at T = 800 K (right). While the LEED pattern of the oxide formed at 740 K corresponds to the reported (7 × 7) single layer oxide and the one of the surface oxide grown at 800 K refers to the well known (√67 × √67)R12.2° double layer oxide, the LEED pattern of the low temperature double layer oxide shown in the left panel is so far unknown in the literature. Red arrows in the center panel indicate the position of the substrate diffraction spots relating to the next neighbor distance of 2.52 Å and the unit cell length of the Ni 3Al(111) substrate which is twice as long. The white arrow indicates the (1,0) spot position of the hexagonal oxygen lattice of the single oxide layer moiré phase with a O–O distance of 2.94 Å. Comparison with the LEED pattern of the low temperature double layer oxide in the left panel evidences the absence of substrate related diffraction spots while the pronounced (1,0) oxide spots still appear (see white arrow). The additional spots indicate a (4√3 × 4√3)R30° unit cell when relating to the (1,0) oxide spots. All LEED patterns were acquired at an electron beam energy of 60 eV. Although the oxidation of Ni 3Al(111) has been investigated since more than 30 years, still no consistent picture exists on how the surface oxide formation actually takes place and which kinetic and thermodynamic restrictions favor the growth of the different surface oxide phases. Thus, we followed the formation of surface oxides on Ni 3Al(111) upon the oxidation at temperatures between 690 K and 800 K by AES, LEED and in situ STM. We found that at temperatures above 750 K the well known (√67 × √67)R12.2° bilayer oxide phase is formed in addition to the single layer oxide with the (7 × 7) moiré unit cell. At sufficiently high temperatures (above 790 K) the (√67 × √67)R12.2° bilayer oxide phase appears as the only surface oxide on Ni 3Al(111). Surprisingly, when lowering the temperature below 740 K during oxygen exposure, again another bilayer surface oxide grows ontop of the temporarily formed (7 × 7) single layer oxide. This novel bilayer oxide phase has not been reported so far in the literature. When dosing oxygen within a very narrow temperature window of 720 K ± 10 K, the low temperature double layer oxide grows as the major surface phase with a (4√3 × 4√3)R30° unit cell when referring to the hexagonal oxygen lattice of the surface oxide phase. As will be shown in this study, we can relate the bilayer oxide phase to α-Al 2O 3 with the hexagonal oxygen lattice aligned with respect to the Ni 3Al(111) lattice. The structural properties and the growth kinetics of the various surface phases will be discussed and related to the availability of surface Al atoms. It will be shown that the mass transport required for the buildup of the different surface oxides and the triggering nucleation events dictate which one of the various surface oxides grows on Ni 3Al(111). Experimental The experiments were performed in a combined ultrahigh vacuum (UHV) system that consists of two vacuum chambers. One of the chambers hosts a high temperature scanning tunneling microscope (STM – SPECS Aarhus 150 HT-NAP), while the other offers surface preparation by ion etching and annealing together with Low Energy Electron Diffraction (LEED – Omicron Spectaleed) and Auger Electron Spectroscopy (AES – Staib DESA 100) as surface analysis techniques. Both chambers are connected and a transfer arm system can transport the sample from one chamber to the other. The sample temperature was measured in the STM- and the LEED/AES chamber by a Ni/NiCr thermocouple element which was connected to the side of the Ni 3Al(111) single crystal. The thermocouple temperature reading was calibrated with the help of an IR-pyrometer (emissivity = 0.48). Oxygen exposure was performed either in the LEED/AES – or the STM chamber and both pressure gauges were calibrated with respect to each other. D. R. E. Lide, CRC Handbook of Chemistry and Physics, CRC Press, Boca Raton, London, New York, 88th edn, 2008 Search PubMed.

Feng, B. J.; Zhang, J.; Zhong, Q.; Li, W. B.; Li, S.; Li, H.; Cheng, P.; Meng, S.; Chen, L.; Wu, K. H. Experimental realization of two-dimensional boron sheets. Nat. Chem. 2016, 8, 563–568. Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Zhang, Y.; Dubonos, S. V.; Grigorieva, I. V.; Firsov, A. A. Electric field effect in atomically thin carbon films. Science 2004, 306, 666–669. Kohn, W.; Sham, L. J. Self-consistent equations including exchange and correlation effects. Phys. Rev. 1965, 140, A1133. Please note price shown is for the AL111AS Electric Strike which comes with the short faceplate and is unmonitored. If the long faceplate or monitored option is required please select this from the options list. A. M. Venezia and C. M. Loxton, Low pressure oxidation of Ni 3Al alloys at elevated temperatures as studied by X-ray photoelectron spectroscopy and Auger spectroscopy, Surf. Sci., 1988, 194(1), 136–148 CrossRef CAS.Yuhara, J.; Fujii, Y.; Nishino, K.; Isobe, N.; Nakatake, M.; Xian, L.; Rubio, A.; Le Lay, G. Large area planar stanene epitaxially grown on Ag(111). 2D Mater. 2018, 5, 025002. H. Isern and G. R. Castro, The initial interaction of oxygen with a NiAl(110) single crystal: A LEED and AES study, Surf. Sci., 1989, 211–212, 865–871 CrossRef. On the other hand, in the Al/Al 3Nb/SiO 2/Si system in which Al 3Nb film is interposed instead of Nb film, reflection lines from the Al(111) and Al 3Nb(112) planes are observed, and this pattern is maintained until after annealing at 500 °C as shown in Fig. 1(b). It can be seen that the intensity of the reflection line form the Al(111) plane increases after annealing at 570 °C and decreases after annealing at 600 °C, but both lines of Al and Al 3Nb are also seen after annealing at 600 °C. It is revealed that no new reaction product was obtained even at this annealing temperature.

Zhang, Y. B.; Tan, Y. W.; Stormer, H. L.; Kim, P. Experimental observation of the quantum Hall effect and Berry’s phase in graphene. Nature 2005, 438, 201–204. M. Schmid, G. Kresse, A. Buchsbaum, E. Napetschnig, S. Gritschneder, M. Reichling and P. Varga, Nanotemplate with Holes: Ultrathin Alumina on Ni 3Al(111), Phys. Rev. Lett., 2007, 99(19), 196104 CrossRef CAS PubMed. E. Vesselli, A. Baraldi, S. Lizzit and G. Comelli, Large Interlayer Relaxation at a Metal-Oxide Interface: The Case of a Supported Ultrathin Alumina Film, Phys. Rev. Lett., 2010, 105(4), 046102 CrossRef PubMed.

In the right panel of Fig. 4 all displayed spectra are scaled to the same intensity of the Ni(LMM) transition and it is clearly visible that the O(KLL) peak of the low temperature oxide surface phase is significantly larger than the one obtained from the single layer surface oxide phase formed at 740 K. In fact, the scaled O(KLL)/Ni(LMM) intensity ratio exceeds the one of the (7 × 7) single layer oxide phase by a factor of 1.89. I.e. the oxide phase formed at 720 K contains about twice as much oxygen atoms than the single layer oxide. R. V. Mom, M. J. Rost, J. W. M. Frenken and I. M. N. Groot, Tuning the Properties of Molybdenum Oxide on Al 2O 3/NiAl(110): Metal versus Oxide Deposition, J. Phys. Chem. C, 2016, 120(35), 19737–19743 CrossRef CAS.

We have obtained single phase monolayer germanene on aluminum (111) thin films grown on a germanium (111) template by atomic segregation epitaxy, a preparation method differing from molecular beam epitaxy used in previous works. This 2 × 2 reconstructed germanene phase matching an Al(111)3 × 3 supercell has been prepared in large areas upon annealing at 430 °C. Detailed studies have been carried out using scanning tunneling microscopy (STM), low-energy electron diffraction, Auger electron spectroscopy, and synchrotron radiation photoemission spectroscopy. First-principles calculations based on the density function theory along with atomic-scale STM images reveal the atomic structure with one protruding Ge atom per 2 × 2 germanene supercell and a characteristic dispersing band originating from the germanene sheet slightly coupled to the first layer Al atoms underneath. Instead, upon annealing at lower temperatures, multi-phase regions comprise twisted germanene domains in correspondence with an Al(111)√7 ×√7 R ± 19.1° superstructure as obtained in previous studies. J. A. Olmos-Asar, E. Vesselli, A. Baldereschi and M. Peressi, Self-seeded nucleation of Cu nanoclusters on Al 2O 3/Ni 3Al(111): an ab initio investigation, Phys. Chem. Chem. Phys., 2014, 16(42), 23134–23142 RSC. Tersoff, J.; Hamann, D. R. Theory of the scanning tunneling microscope. Phys. Rev. B 1985, 31, 805–813.

G. F. Cotterill, H. Niehus and D. J. O'Connor, An Stm Study of the Initial Stages of Oxidation of Ni 3Al(110), Surf. Rev. Lett., 1996, 03(03), 1355–1363 CrossRef CAS. Muzychenko, D. A.; Oreshkin, A. I.; Oreshkin, S. I.; Ustavschikov, S. S.; Putilov, A. V.; Aladyshkin, A. Y. The surface structures growth’s features caused by Ge adsorption on the Au(111) surface. JETP Lett. 2017, 106, 217–222. Perdew, J. P.; Wang, Y. Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation. Phys. Rev. B 1986, 33, 8800–8802. Li, F. P.; Wei, W.; Lv, X. S.; Huang, B. B.; Dai, Y. Evolution of the linear band dispersion of monolayer and bilayer germanene on Cu(111). Phys. Chem. Chem. Phys. 2017, 19, 22844–22851.

Gou, J.; Zhong, Q.; Sheng, S. X.; Li, W. B.; Cheng, P.; Li, H.; Chen, L.; Wu, K. H. Strained monolayer germanene with 1×1 lattice on Sb(111). 2D Mater. 2016, 3, 045005. U. Bardi, A. Atrei and G. Rovida, Initial stages of oxidation of the Ni 3Al alloy: a study by X-ray photoelectron spectroscopy and low energy He + scattering, Surf. Sci., 1990, 239(1), L511–L516 CrossRef CAS. J. Stöhr, L. I. Johansson, S. Brennan, M. Hecht and J. N. Miller, Surface extended-x-ray-absorption-fine-structure study of oxygen interaction with Al(111) surfaces, Phys. Rev. B: Condens. Matter Mater. Phys., 1980, 22(8), 4052–4065 CrossRef. V. Maurice, G. Despert, S. Zanna, P. Josso, M. P. Bacos and P. Marcus, The growth of protective ultra-thin alumina layers on γ-TiAl(111) intermetallic single-crystal surfaces, Surf. Sci., 2005, 596(1), 61–73 CrossRef CAS.

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As shown in Fig. 8, the energy to turn the (7 × 7) metastable single layer oxide into the (√67 × √67)R12.2° bilayer oxide is even higher ( E X2& E B3) if the process takes place by dis- and reassembling of the respective oxide phases. As a result, the (7 × 7) single layer is not converted into the (√67 × √67)R12.2° bilayer oxide during O 2 dosing. This fact ensures that the entire Ni 3Al(111) surface can be covered with the (7 × 7) single layer oxide phase. Liu, C. C.; Feng, W. X.; Yao, Y. G. Quantum spin hall effect in silicene and two-dimensional germanium. Phys. Rev. Lett. 2011, 107, 076802. Fig. 8 Qualitative potential diagram of the formation energies per oxygen atom and the related barriers for the formation of the three different surface oxide phases: 1: (4√3 ×4√3)R30° – low temperature double layer oxide, 2: (7 × 7) – single layer oxide and 3: (√67 × √67)R12.2° – high temperature double layer oxide.