Crystal Structure and Ferromagnetism of the CeFeSi Intermetallic Compound.

We have determined the crystal structure and the magnetic state of the CeFeSi intermetallic compound. Our revised structural model (fully ordered tetragonal unit cell, 4/) agrees with the previous literature report, except for some minor quantitative differences. Magnetically, the CeFeSi undergoes a ferromagnetic transition at the temperature ≈ 94 K.

Revealing the Epitaxial Interface between AlFe and AlFe Enabling Atomic Al Interdiffusion.

Steel is the most commonly manufactured material in the world. Its performances can be improved by hot-dip coating with the low weight aluminum metal. The structure of the Al∥Fe interface, which is known to contain a buffer layer made of complex intermetallic compounds such as AlFe and AlFe, is crucial for the properties.

X-ray photoelectron diffraction study of the approximant AlCo(001) quasicrystal.

The intermetallic AlCo is defined as a structurally complex material and is considered a low-order quasicrystalline approximant. A single crystal of AlCo(001) was obtained by the Czochralski method. The sample was characterized by X-ray photoelectron spectroscopy (XPS), low-energy electron diffraction (LEED), and X-ray photoelectron diffraction (PED).

The role of three-dimensional bulk clusters in determining surface morphologies of intermetallic compounds: Quasicrystals to clathrates.

Nanostructured alloy surfaces present unique physical properties and chemical reactivities that are quite different from those of the close-packed low-index surfaces. This can be beneficial for the design of new catalysts and electronic and data-storage devices. However, the growth of such surface nanostructures is not straightforward at the atomic scale.

Pseudo-2-Fold Surface of the AlCo Catalyst: Structure, Stability, and Hydrogen Adsorption.

A few low-order approximants to decagonal quasicrystals have been shown to provide excellent activity and selectivity for the hydrogenation of alkenes and alkynes. It is the case for the AlCo compound, for which the catalytic properties of the pseudo-2-fold orientation have been revealed to be among the best. A combination of surface science studies, including surface X-ray diffraction, and calculations based on density functional theory is used here to derive an atomistic model for the pseudo-2-fold -AlCo surface, whose faceted and columnar structure is found very similar to the one of the 2-fold surface of the -Al-Ni-Co quasicrystal.

Crystalline and Electronic Structures of the AlVSn ( = 0.19) Intermetallic Compound.

A new ternary phase with a composition AlVSn ( = 0.19) has been found during investigation of the Al-V-Sn ternary system. Single-crystal X-ray diffraction measurements reveal that this ternary phase crystallizes with an orthorhombic structure with = 5.

Catalytic properties of AlTM complex intermetallics: influence of the transition metal and the surface orientation on butadiene hydrogenation.

Complex intermetallic compounds such as transition metal (TM) aluminides are promising alternatives to expensive Pd-based catalysts, in particular for the semi-hydrogenation of alkynes or alkadienes. Here, we compare the gas-phase butadiene hydrogenation performances of AlCo(100), -AlFe(010) and -AlRu(010) surfaces, whose bulk terminated structural models exhibit similar cluster-like arrangements. Moreover, the effect of the surface orientation is assessed through a comparison between AlCo(100) and AlCo(010).

Bonding network and stability of clusters: the case study of AlTM pseudo-tenfold surfaces.

Clusters, i.e. polyhedral geometric entities, are widely used to describe the structure of complex intermetallic compounds.

A new ternary compound with the BGaIr structure type in the Al-Au-Ir system.

Following the recent determination of the AlAuIr structure, a new ternary phase has been identified in the Al-Au-Ir phase diagram. It has a chemical composition Al(Au;Ir) with an apparently low gold content. Its crystal structure has been determined with single-crystal X-ray diffraction.

Quasi-ordered C60 molecular films grown on the pseudo-ten-fold (1 0 0) surface of the Al13Co4 quasicrystalline approximant.

The growth of C60 films on the pseudo-ten-fold (1 0 0) surface of the orthorhombic Al13Co4 quasicrystalline approximant was studied experimentally by scanning tunneling microscopy, low-energy electron diffraction and photoemission spectroscopy. The (1 0 0) surface terminates at bulk-planes presenting local atomic configurations with five-fold symmetry-similar to quasicrystalline surfaces. While the films deposited at room temperature were found disordered, high-temperature growth (up to 693 K) led to quasi-ordered molecular films templated on the substrate rectangular unit mesh.

The atomic structure of low-index surfaces of the intermetallic compound InPd.

The intermetallic compound InPd (CsCl type of crystal structure with a broad compositional range) is considered as a candidate catalyst for the steam reforming of methanol. Single crystals of this phase have been grown to study the structure of its three low-index surfaces under ultra-high vacuum conditions, using low energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). During surface preparation, preferential sputtering leads to a depletion of In within the top few layers for all three surfaces.

Al3AuIr: A New Compound in the Al-Au-Ir System.

A new ternary phase with a composition of Al3AuIr has been found in the Al-rich area of the Al-Au-Ir system. Differential thermal analysis indicates a melting point of 990 °C, and single-crystal X-ray diffraction measurements reveal that this ternary phase adopts a Ni2Al3 structure type (space group P3̅m1) with a = 4.2584(5) Å and c = 5.

Influence of leaching on surface composition, microstructure, and valence band of single grain icosahedral Al-Cu-Fe quasicrystal.

The use of quasicrystals as precursors to catalysts for the steam reforming of methanol is potentially one of the most important applications of these new materials. To develop application as a technology requires a detailed understanding of the microscopic behavior of the catalyst. Here, we report the effect of leaching treatments on the surface microstructure, chemical composition, and valence band of the icosahedral (i-) Al-Cu-Fe quasicrystal in an attempt to prepare a model catalyst.

Growth and structure of ultrathin alumina films on the (1 1 0) surface of γ-Al4Cu9 complex metallic alloy.

The first stages of oxidation of the (1 1 0) surface of a γ-Al(4)Cu(9) complex metallic alloy were investigated by combining x-ray photoemission spectroscopy, low energy electron diffraction and scanning tunnel microscopy studies. Oxidation at room temperature in the 2 × 10(-8) to 2 × 10(-7) mbar oxygen pressure range occurs in two steps: a fast regime is followed by a much slower one, leading to the formation of a thin aluminium oxide film showing no long range order. Cu-O bonds are never observed, due to fast oxygen induced aluminium segregation.

Quantitative adsorbate structure determination for quasicrystals using x-ray standing waves.

The quantitative structure determination of adsorbed species on quasicrystal surfaces has so far appeared to present insurmountable problems. The normal incidence standing x-ray wave field technique offers a simple solution, without extensive data sets or large computations. Its application to quasicrystals raises several conceptual difficulties that are related to the phase problem in x-ray diffraction.

Surface structures of In-Pd intermetallic compounds. II. A theoretical study.

The (110) surface of the InPd intermetallic compound and the In-Pd surface alloy properties are investigated in the framework of the density functional theory, within the projector augmented plane-wave method. Surface segregation is calculated to be energetically unfavorable at stoichiometric InPd(110) surfaces, while indium antisites are shown to segregate to the surface in off-stoichiometric InPd(110) systems. Concerning surface alloys obtained by burying In-doped Pd layers in Pd(111), we demonstrated that the most stable ones are those presenting atomic indium concentrations below 50 at.

Surface structures of In-Pd intermetallic compounds. I. Experimental study of In thin films on Pd(111) and alloy formation.

A combination of experimental methods was used to study the structure of In thin films deposited on the Pd(111) surface and the alloying behavior. X-ray photoelectron spectroscopy (XPS), low-energy electron diffraction (LEED), and scanning tunneling microscopy results indicate that surface alloying takes place at room temperature. Below 2 monolayer equivalents (MLEs), the LEED patterns show the formation of three rotational domains of InPd(110) of poor structural quality on top of the Pd(111) substrate.

Surfaces of Al-based complex metallic alloys: atomic structure, thin film growth and reactivity.

We present a review on recent work performed on periodic complex metallic alloy (CMA) surfaces. The electronic and crystallographic structures of clean pseudo-tenfold, pseudo-twofold, sixfold surfaces will be presented along with the recent findings on CMA of lower structural complexity, i.e.

Self-organized molecular films with long-range quasiperiodic order.

Self-organized molecular films with long-range quasiperiodic order have been grown by using the complex potential energy landscape of quasicrystalline surfaces as templates. The long-range order arises from a specific subset of quasilattice sites acting as preferred adsorption sites for the molecules, thus enforcing a quasiperiodic structure in the film. These adsorption sites exhibit a local 5-fold symmetry resulting from the cut by the surface plane through the cluster units identified in the bulk solid.

Structure of the twofold surface of the icosahedral Ag-In-Yb quasicrystal.

The structure of the twofold surface of the icosahedral (i-)Ag-In-Yb quasicrystal has been investigated using low energy electron diffraction (LEED) and scanning tunneling microscopy (STM). The LEED confirms that the surface exhibits quasicrystalline long range order with the twofold rotational symmetry expected from the bulk. STM images reveal a step-terrace structure with terrace size comparable to that of the other high symmetry surfaces of the same quasicrystal.

Oxygen adsorption on the Al₉Co₂(001) surface: first-principles and STM study.

Atomic oxygen adsorption on a pure aluminum terminated Al9Co2(001) surface is studied by first-principle calculations coupled with STM measurements. Relative adsorption energies of oxygen atoms have been calculated on different surface sites along with the associated STM images. The local electronic structure of the most favourable adsorption site is described.

Structural investigation of the (010) surface of the Al13 Fe4 catalyst.

We have investigated the structure of the Al(13)Fe(4)(010) surface using both experimental and ab initio computational methods. The results indicate that the topmost surface layers correspond to incomplete puckered (P) planes present in the bulk crystal structure. The main building block of the corrugated termination consists of two adjacent pentagons of Al atoms, each centered by a protruding Fe atom.