Siham Ouardi

Thermoelectric properties and electronic structure of substituted Heusler compounds: NiTi0.3-xScxZr0.35Hf0.35Sn

The effect of Ti substitution by Sc on the thermoelectric properties of the Heusler compounds NiTi0.3−xScxZr0.35Hf0.35Sn (where 0<x≤0.05) was studied. The thermoelectric properties were investigated by measuring the electrical conductivity, Seebeck coefficient, and thermal conductivity. A reduction of the thermal conductivity by a factor of 2 was obtained by substitution of Ti by Sc. The pure compound NiTi0.3Zr0.35Hf0.35Sn showed n-type conductivity with a Seebeck coefficient of −288 μV/K at 350 K, while under Sc substitution the system switched to p-type behavior. A maximum Seebeck coefficient of +230 μV/K (350 K) was obtained by 4% Sc substitution, which is the highest value for p-type thermoelectric compounds based on Heusler alloys. The electronic structure was studied by photoelectron spectroscopy excited by hard x-ray synchrotron radiation. Massive in gap states are observed for the parent compound. This proves that the electronic states close to the Fermi energy play a key role on the behavior of t...

Hard x-ray photoelectron spectroscopy of buried Heusler compounds

This work reports on high energy photoelectron spectroscopy from the valence band of buried Heusler thin films (Co2MnSi and Co2FeAl0.5Si0.5) excited by photons of about 6?keV energy. The measurements were performed on thin films covered by MgO and SiOx with different thicknesses from 1 to 20?nm of the insulating layer and additional AlOx or Ru protective layers. It is shown that the insulating layer does not affect the high energy spectra of the Heusler compound close to the Fermi energy. The high resolution measurements of the valence band close to the Fermi energy indicate a very large electron mean free path of the electrons through the insulating layer. The spectra of the buried thin films agree well with previous measurements from bulk samples. The valence band spectra of the two different Heusler compounds exhibit clear differences in the low lying s bands as well as close to the Fermi energy.

Realization of spin gapless semiconductors: the Heusler compound Mn2CoAl.

Recent studies have reported an interesting class of semiconductor materials that bridge the gap between semiconductors and half-metallic ferromagnets. These materials, called spin gapless semiconductors, exhibit a band gap in one of the spin channels and a zero band gap in the other and thus allow for tunable spin transport. Here, we report the first experimental verification of the spin gapless magnetic semiconductor Mn(2)CoAl, an inverse Heusler compound with a Curie temperature of 720 K and a magnetic moment of 2 μ(B). Below 300 K, the compound exhibits nearly temperature-independent conductivity, very low, temperature-independent carrier concentration, and a vanishing Seebeck coefficient. The anomalous Hall effect is comparatively low, which is explained by the symmetry properties of the Berry curvature. Mn(2) CoAl is not only suitable material for room temperature semiconductor spintronics, the robust spin polarization of the spin gapless semiconductors makes it very promising material for spintronics in general.

Electronic properties of Co2MnSi thin films studied by hard x-ray photoelectron spectroscopy

This work reports on the electronic properties of thin films of the Heusler compound Co2MnSi studied by means of hard x-ray photoelectron spectroscopy (HAXPES). The results of photoelectron spectroscopy from multilayered thin films excited by photons of 2?8?keV are presented. The measurements were performed on (substrate/buffer layer/Co2MnSi(z)/capping layer) multilayers with a thickness z ranging from 0 to 50?nm. It is shown that high energy spectroscopy is a valuable tool for non-destructive depth profiling. The experimentally determined values of the inelastic electron mean free path in Co2MnSi increase from about 19.5 to 67?? on increasing the kinetic energy from about 1.9 to 6.8?keV. The influence of the thermal treatment of Co2MnSi thin films on the electronic properties was also explored. The structure of the thin films is significantly improved by heat treatment as revealed by x-ray diffraction. It was found that the electronic structure of annealed samples as measured by photoelectron spectroscopy is similar to that of a well-ordered bulk reference sample. The samples without heat treatment show strong deviations from the electronic structure of bulk material. The differences between the disordered and the ordered films are also observed in core level spectra. Chemical shifts of about 100?meV are observed at the Mn 2p states. The stronger localization of the Mn d states in the ordered samples is obvious from the multiplet satellite of the Mn 2p3/2 state.

Hard x-ray photoelectron spectroscopy of chalcopyrite solar cell components

Hard x-ray photoelectron spectroscopy is used to examine the partial density of states of Cu(In,Ga)Se2 (CIGSe), a semiconducting component of solar cells. The investigated, thin Cu(In,Ga)Se2 films were produced by multi-stage co-evaporation. Details of the measured core level and valence band spectra are compared to the calculated density of states. The semiconducting type electronic structure of Cu(In,Ga)Se2 is clearly resolved in the hard x-ray photoelectron spectra.

Charge carrier concentration optimization of thermoelectric p-type half-Heusler compounds

The carrier concentration in the p-type half-Heusler compound Ti0.3Zr0.35Hf0.35CoSb1−xSnx was optimized, which is a fundamental approach to enhance the performance of thermoelectric materials. The optimum carrier concentration is reached with a substitution level x = 0.15 of Sn, which yields the maximum power factor, 2.69 × 10−3 W m−1 K−2, and the maximum ZT = 0.8. This is an enhancement of about 40% in the power factor and the figure of merit compared to samples with x = 0.2. To achieve low thermal conductivities in half-Heusler compounds, intrinsic phase separation is an important key point. The present work addresses the influence of different preparation procedures on the quality and reproducibility of the samples, leading to the development of a reliable fabrication method.

A nondestructive analysis of the B diffusion in Ta–CoFeB–MgO–CoFeB–Ta magnetic tunnel junctions by hard x-ray photoemission

This work reports on hard x-ray photoelectron spectroscopy (HAXPES) of CoFeB based tunnel junctions. Aim is to explain the role of the boron diffusion for the observed improvement of the tunneling magnetoresistance ratio with increasing annealing temperature. The high bulk sensitivity of HAXPES was used as a nondestructive technique to analyze CoFeB–MgO–CoFeB magnetic tunnel junctions. The investigated samples were processed at different annealing temperatures from 523 to 923 K. Hard x-ray core level spectroscopy reveals an enforced diffusion of boron from the CoFeB into the adjacent Ta layer with increasing annealing temperature. The dependence of the tunneling magnetoresistance on the annealing temperature is explained by the combined effects of an improved crystalline structure together with a change in the spin polarization at the Fermi energy caused by the removal of boron from the CoFeB layer and Ta diffusion at high annealing temperature.

Magnetic dichroism in angle-resolved hard x-ray photoemission from buried layers

This work reports the measurement of magnetic dichroism in angular-resolved photoemission from in-plane magnetized buried thin films. The high bulk sensitivity of hard x-ray photoelectron spectroscopy (HAXPES) in combination with circularly polarized radiation enables the investigation of the magnetic properties of buried layers. HAXPES experiments with an excitation energy of 8 keV were performed on exchange-biased magnetic layers covered by thin oxide films. Two types of structures were investigated with the IrMn exchange-biasing layer either above or below the ferromagnetic layer: one with a CoFe layer on top and another with a Co2FeAl layer buried beneath the IrMn layer. A pronounced magnetic dichroism is found in the Co and Fe 2p states of both materials. The localization of the magnetic moments at the Fe site conditioning the peculiar characteristics of the Co2FeAl Heusler compound, predicted to be a half-metallic ferromagnet, is revealed from the magnetic dichroism detected in the Fe 2p states.

Transport and optical properties of the gapless Heusler compound PtYSb

This work presents a systematic study on the optical and transport properties of the Heusler compound PtYSb. The optical properties were investigated in a wide spectral range from 10 meV to 6.5 eV and compared to ab-initio calculations. For photon energies below 2.5 eV, the optical absorption increases linearly with photon energy. This is related with the conical shape of the electronic structure in the vicinity of the Fermi energy. The optical spectra reveal a maximum band gap of about 60 meV. Furthermore, the temperature dependence of thermal conductivity, electrical resistivity, Seebeck coefficient and Hall mobility were investigated. PtYSb exhibits very good thermoelectric properties with a high figure of merit ZT of 0.2 and a Hall mobility μh of 300 cm2/Vs at 350 K, which is the highest value obtained for Heusler compounds up to now. The carrier concentration ranges from 5 × 1018 at low temperature to 1019 cm−3 at 400 K.

Electronic structure of Pt based topological Heusler compounds with C1b structure and “zero band gap”

Besides of their well-known wide range of properties it was recently shown that many of the heavy Heusler semiconductors with 1:1:1 composition and C1b structure exhibit a zero band gap behavior and are topological insulators induced by their inverted band structure. In the present study, the electronic structure of the Heusler compounds PtYSb and PtLaBi was investigated by bulk sensitive hard x-ray photoelectron spectroscopy. The measured valence band spectra are clearly resolved and in well agreement to the first-principles calculations of the electronic structure of the compounds. The experimental results give clear evidence for the zero band gap state.