New iron-based Heusler compounds Fe2YZ: Comparison with theoretical predictions of the crystal structure and magnetic properties

The present work reports on the new soft ferromagnetic Heusler phases Fe2NiGe, Fe2CuGa, and Fe2CuAl, which in previous theoretical studies have been predicted to exist in a tetragonal regular Heusler structure. Together with the known phases Fe2CoGe and Fe2NiGa these materials have been synthesized and characterized by powder XRD, 57 Fe M\"ossbauer spectroscopy, SQUID and EDX measurements. In particular M\"ossbauer spectroscopy was used to monitor the degree of local atomic order/disorder and to estimate magnetic moments at the Fe sites from the hyperfine fields. It is shown that in contrast to the previous predictions all the materials except Fe2NiGa basically adopt the inverse cubic Heusler (X-) structure with differing degrees of disorder. The disorder is more enhanced in case of Fe2NiGa, which was predicted as an inverse Heusler phase. The experimental data are compared with results from ab-inito electronic structure calculations on LDA level incorporating the effects of atomic disorder by using the coherent potential approximation (CPA). A good agreement between calculated and experimental magnetic moments is found for the cubic inverse Heusler phases. Model calculations on various atomic configurations demonstrate that antisite disorder tends to enhance the stability of the X-structure. Given the fundamental scientific and technological importance of tetragonal Heusler phases the present results call for further investigations to unravel the factors stabilizing tetragonal Heusler materials

Anomalous transport properties of the halfmetallic ferromagnets Co2TiSi, Co2TiGe, and Co2TiSn

In this work the theoretical and experimental investigations of Co2TiZ (Z = Si, Ge, or Sn) compounds are reported. Half-metallic ferromagnetism is predicted for all three compounds with only two bands crossing the Fermi energy in the majority channel. The magnetic moments fulfill the Slater-Pauling rule and the Curie temperatures are well above room temperature. All compounds show a metallic like resistivity for low temperatures up to their Curie temperature, above the resistivity changes to semiconducting like behavior. A large negative magnetoresistance of 55% is observed for Co2TiSn at room temperature in an applied magnetic field of 4T which is comparable to the large negative magnetoresistances of the manganites. The Seebeck coefficients are negative for all three compounds and reach their maximum values at their respective Curie temperatures and stay almost constant up to 950 K. The highest value achieved is -52muV/K m for Co2TiSn which is large for a metal. The combination of half-metallicity and the constant large Seebeck coefficient over a wide temperature range makes these compounds interesting materials for thermoelectric applications and further spincaloric investigations.Comment: 4 pages 4 figure

Amélioration de la qualité microbiologique des eaux de surface dans un bassin versant, dans une zone densément peuplée : scénario des coûts et effets

Colloque avec actes et comité de lecture. Internationale.International audienc

Tuning of crystal structure and magnetic properties by exceptionally large epitaxial strains

Huge deformations of the crystal lattice can be achieved in materials with inherent structural instability by epitaxial straining. By coherent growth on seven different substrates the in-plane lattice constants of 50 nm thick Fe70Pd30 films are continuously varied. The maximum epitaxial strain reaches 8,3 % relative to the fcc lattice. The in-plane lattice strain results in a remarkable tetragonal distortion ranging from c/abct = 1.09 to 1.39, covering most of the Bain transformation path from fcc to bcc crystal structure. This has dramatic consequences for the magnetic key properties. Magnetometry and X-ray circular dichroism (XMCD) measurements show that Curie temperature, orbital magnetic moment, and magnetocrystalline anisotropy are tuned over broad ranges.Comment: manuscript, 3 figures, auxiliary materia

Formation of a ZnS Zn S,O bilayer buffer on CuInS2 thin film solar cell absorbers by chemical bath deposition

The application of Zn compounds as buffer layers was recently extended to wide gap CuInS2 CIS based thin film solar cells. Using a new chemical deposition route for the buffer preparation aiming at the deposition of a single layer, nominal ZnS buffer without the need for any toxic reactants such as, e.g. hydrazine, has helped to achieve a similar efficiency as respective CdS buffered reference devices. In order to shed light on the differences of other Zn compound buffers deposited in conventional chemical baths CBD compared to the buffer layers deposited by this alternative CBD process, the composition of the deposited buffers was investigated by x ray excited Auger electron and x ray photoelectron spectroscopy to potentially clarify their superiority in terms of device performance. We have found that in the early stages of this alternative CBD process a thin ZnS layer is formed on the CIS, whereas in the second half of the CBD the growth rate is greatly increased and Zn S,O with a ZnS ZnS ZnO ratio of approx. 80 is deposited. Thus, a ZnS Zn S,O bi layer buffer is deposited on the CIS thin film solar cell absorbers by the alternative chemical deposition route used in this investigation. No major changes of these findings after a postannealing of the buffer CIS sample series and re characterization could be identified

Intermixing at the heterointerface between ZnS Zn S,O bilayer buffer and CuInS2 thin film solar cell absorber

The application of Zn compounds as buffer layers was recently extended to wide gap CuInS2 CIS based thin film solar cells. Using a new chemical deposition route for the buffer preparation aiming at the deposition of a single layer, nominal ZnS buffer without the need for any toxic reactants such as, e.g. hydrazine has helped to achieve a similar efficiency as respective CdS buffered reference devices. After identifying the deposited Zn compound, as ZnS Zn S,O bi layer buffer in former investigations [M. Bär, A. Ennaoui, J. Klaer, T. Kropp, R. S ez Araoz, N. Allsop, I. Lauermann, H. W. Schock, and M.C. Lux Steiner, Formation of a ZnS Zn S,O bilayer buffer on CuInS2 thin film solar cell absorbers by chemical bath deposition , J. Appl. Phys., accepted.], this time the focus lies on potential diffusion intermixing processes at the buffer absorber interface possibly, clarifying the effect of the heat treatment, which drastically enhances the device performance of respective final solar cells. The interface formation was investigated by x ray photoelectron and x ray excited Auger electron spectroscopy. In addition, photoelectron spectroscopy PES measurements were also conducted using tuneable monochromatized synchrotron radiation in order to gain depth resolved information. The buffer side of the buffer absorber heterointerface were investigated by means of the characterization of Zn S,O ZnS CIS structures where the ZnS Zn S,O bi layer buffer was deposited successively by different deposition times. In order to make the in terms of PES information depth deeply buried absorber side of the buffer absorber heterointerface accessible for characterization, in these cases the buffer layer was etched away by dilute HClaq. We found that while out leached Cu from the absorber layer forms together with the educts in the chemical bath a Zn 1 Z ,Cu2Z S like interlayer between buffer and absorber, Zn is incorporated in the uppermost region of the absorber. Both effects are strongly enhanced by postannealing the Zn S,O ZnS CIS samples. However, it was determined that the major fraction of the Cu and Zn can be found quite close to the heterointerface in the buffer and absorber layer, respectively. Due to this limited in the range of one monolayer spatial extent, these diffusion mechanisms were rather interpreted as a CBD induced and heat treatment promoted Cu Zn ion exchange at the buffer absorber interface. Possible impacts of this intermixing on the performance of the final solar cell devices will also be discusse