The Mn site in Mn-doped Ga-As nanowires: an EXAFS study

We present an EXAFS study of the Mn atomic environment in Mn-doped GaAs nanowires. Mn doping has been obtained either via the diffusion of the Mn used as seed for the nanowire growth or by providing Mn during the growth of Au-induced wires. As a general finding, we observe that Mn forms chemical bonds with As but is not incorporated in a substitutional site. In Mn-induced GaAs wires, Mn is mostly found bonded to As in a rather disordered environment and with a stretched bond length, reminiscent of that exhibited by MnAs phases. In Au-seeded nanowires, along with stretched Mn-As coordination we have found the presence of Mn in a Mn-Au intermetallic compound.Comment: This is an author-created, un-copyedited version of an article accepted for publication in Semiconductor Science and Technology. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The definitive publisher-authenticated version is available online at doi:10.1088/0268-1242/27/8/08500

Ab initio analysis of the x-ray absorption spectrum of the myoglobin-carbon monoxide complex: Structure and vibrations

We present a comparison between Fe K-edge x-ray absorption spectra of carbonmonoxy-myoglobin and its simulation based on density-functional theory determination of the structure and vibrations and spectral simulation with multiple-scattering theory. An excellent comparison is obtained for the main part of the molecular structure without any structural fitting parameters. The geometry of the CO ligand is reliably determined using a synergic approach to data analysis. The methodology underlying this approach is expected to be especially useful in similar situations in which high-resolution data for structure and vibrations are available.Comment: 13 pages, 3 figure

New Perspectives on Catalytic Hydrogen Production by the Reforming, Partial Oxidation and Decomposition of Methane and Biogas

The article provides a short review on catalyst-based processes for the production of hydrogen starting from methane, both of fossil origin and from sustainable processes. The three main paths of steam- and dry-reforming, partial oxidation and thermo-catalytic decomposition are briefly introduced and compared, above all with reference to the latest publications available and to new catalysts which obey the criteria of lower environmental impact and minimize the content of critical raw materials. The novel strategies based on chemical looping with CO2 utilization, membrane separation, electrical-assisted (plasma and microwave) processes, multistage reactors and catalyst patterning are also illustrated as the most promising perspective for CH4 reforming, especially on small and medium scale. Although these strategies should only be considered at a limited level of technological readiness, research on these topics, including catalyst development and process optimization, represents the crucial challenge for the scientific community

Structural and paramagnetic properties of dilute Ga1-xMnxN

Systematic investigations of the structural and magnetic properties of single crystal (Ga,Mn)N films grown by metal organic vapor phase epitaxy are presented. High resolution transmission electron microscopy, synchrotron x-ray diffraction, and extended x-ray absorption fine structure studies do not reveal any crystallographic phase separation and indicate that Mn occupies Ga-substitutional sites in the Mn concentration range up to 1%. The magnetic properties as a function of temperature, magnetic field and its orientation with respect to the c-axis of the wurtzite structure can be quantitatively described by the paramagnetic theory of an ensemble of non-interacting Mn$^{3+}$ ions in the relevant crystal field, a conclusion consistent with the x-ray absorption near edge structure analysis. A negligible contribution of Mn in the 2+ charge state points to a low concentration of residual donors in the studied films. Studies on modulation doped p-type (Ga,Mn)N/(Ga,Al)N:Mg heterostructures do not reproduce the high temperature robust ferromagnetism reported recently for this system.Comment: 15 pages, 14 figure

Report on the activity of the GILDA-CRG beamline 2009-2013

Index Technical description of the beamline..................................................................................................3 Introduction ....................................................................................................................................3 Optics..............................................................................................................................................3 The XAS end station........................................................................................................................6 Standard data collection setup.....................................................................................................6 Surface XAS apparata.................................................................................................................8 Recent sample environment and Instrumentation developments................................................9 The x-ray diffraction (XRD) end-station.......................................................................................13 Beamline control...........................................................................................................................14 Administrative aspects........................................................................................................................16 Organisation..................................................................................................................................16 Beamline Staff Situation................................................................................................................17 Statistical data on Users and scientific production.............................................................................21 Future perspectives and plans for upgrade.........................................................................................25 Aim of the project.........................................................................................................................25 Design...........................................................................................................................................26 Timetable......................................................................................................................................31 Overview of the overall scientific activity.........................................................................................33 Selection of five publications........................................................................................................33 Highlights of the scientific activity................................................................................................34 Local order in semiconductors..................................................................................................34 Nanotechnology.......................................................................................................................44 Cements and porous systems....................................................................................................48 Chemistry.................................................................................................................................56 Earth Science............................................................................................................................61 Environment.............................................................................................................................67 Cultural Heritage.......................................................................................................................72 Health, medicine and life science .............................................................................................77 Acknowledgements...........................................................................................................................84 References.........................................................................................................................................85 Generic References.......................................................................................................................85 GILDA 2009-2013 Publications....................................................................................................8

Interfacial magnetic structure in Fe/NiO(001)

Using nuclear resonant scattering of synchrotron radiation and density functional theory calculations we haveresolved the magnetic properties of the different Fe phases present at the Fe/NiO(001) interface, an epitaxialferromagnetic/antiferromagnetic system. We have detected the presence of an interfacial antiferromagneticFeO-like phase with a significantly increased magnetic moment compared to the case of a sharp interface.Already a few atomic layers above the interface, the Fe atoms have a bulk-like metallic character and the reversalof their magnetization is strongly influenced by the antiferromagnetic layer

Unveiling the atomic position of C in Mn5Ge3 Cx thin films

Heavily carbon-doped Mn5Ge3 is a unique compound for spintronics applications as it meets all the requirements for spin injection and detection in group-IV semiconductors. Despite the great improvement of the magnetic properties induced by C incorporation into Mn5Ge3 compounds, very little information is available on its structural properties and the genuine role played by C atoms. In this paper, we have used a combination of advanced techniques to extensively characterize the structural and magnetic properties of Mn5Ge3Cx films grown on Ge(111) by solid phase epitaxy as a function of C concentration. The increase of the Curie temperature induced by C doping up to 435 K is accompanied by a decrease of the out-of-plane c-lattice parameter. The Mn and C chemical environments and positions in the Mn5Ge3 lattice have been thoroughly investigated using x-ray absorption spectroscopy techniques (x-ray absorption near-edge structures and extended x-ray absorption fine structures) and scanning transmission electronic microscopy (STEM) combined to electron energy loss spectroscopy for the chemical analysis. The results have been systematically compared to a variety of structures that were identified as favorable in terms of formation energy by ab initio calculations. For x≤0.5, the C atoms are mainly located in the octahedral voids formed by Mn atoms, which is confirmed by simulations and seen for the first time in real space by STEM. However, the latter reveals an inhomogeneous C incorporation, which is qualitatively correlated to the broad magnetic transition temperature. A higher C concentration leads to the formation of manganese carbide clusters that we identified as Mn23C6. Interestingly, other types of defects, such as interstitial Ge atoms, vacancies of Mn, and their association into line defects have been detected. They take part in the strain relaxation process and are likely to be intimately related to the growth process. This paper provides a complete picture of the structure of Mn5Ge3Cx in thin films grown by solid phase epitaxy, which is essential for optimizing their magnetic properties