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Bent band structures have been empirically described in ferroelectric materials to explain the functioning of recently developed ferroelectric tunneling junction and photovoltaic devices. This report presents experimental evidence for ferroelectric band bending, which was observed in the depth profiles of atomic orbitals of angle-resolved hard x-ray photoemission spectra of ferroelectric BaTiO3 thin films. The ferroelectric bent band structure is separated into three depth regions; the shallowest and deepest regions are slightly modulated by the screening effect at surface and interface, respectively, and the intermediate region exhibits the pure ferroelectric effect. In the pure ferroelectric bent band structure, we found that the binding energy of outer shell electrons shows a larger shift than that of inner shell electrons, and that the difference in energy shift is correlated with the atomic configuration of the soft phonon mode. These findings could lead to a simple understanding of the origin of electric polarization., Comment: 16 pages, 7 figures

A laboratory hard X-ray photoelectron spectroscopy (HXPS) system equipped with a monochromatic Cr K$\alpha$ ($h\nu = 5414.7$ eV) X-ray source was applied to an investigation of the core-level electronic structure of La$_{1-x}$Sr$_x$MnO$_3$. No appreciable high binding-energy shoulder in the O $1s$ HXPS spectra were observed while an enhanced low binding-energy shoulder structure in the Mn $2p_{3/2}$ HXPS spectra were observed, both of which are manifestation of high bulk sensitivity. Such high bulk sensitivity enabled us to track the Mn $2p_{3/2}$ shoulder structure in the full range of $x$, giving us a new insight into the binding-energy shift of the Mn $2p_{3/2}$ core level. Comparisons with the results using the conventional laboratory XPS ($h\nu = 1486.6$ eV) as well as those using a synchrotron radiation source ($h\nu = 7939.9$ eV) demonstrate that HXPS is a powerful and convenient tool to analyze the bulk electronic structure of a host of different compounds., Comment: 5 pages, 6 figures

Using circularly polarised radiation and a combination of bulk-sensitive hard X-ray photoelectron spectroscopy and X-ray-absorption spectroscopy (XAS) we studied the electronic and magnetic structure of epitaxial Mn$_{1.8}$Co$_{1.2}$Ga thin films. Spin resolved Bloch spectral functions, density of states as well as charge and magnetisation densities were investigated by a first-principles analysis of full potential, fully relativistic Korringa--Kohn--Rostoker calculations of the electronic structure. The valence states were experimentally investigated by using linear dichroism in the angular distribution and comparing the results to spin-resolved densities of states. The linear dichroism in the valence band enabled a symmetry analysis of the contributing states. The spectra were in good agreement with the theoretical partial density of states. The element-specific, spin-resolved, unoccupied densities of states for Co and Mn were analysed by using XAS and X-ray magnetic circular dichroism (XMCD) at the $L_{3,2}$ edges. The spectra were influenced by strong correlation effects. XMCD was used to extract the site resolved magnetic moments. The experimental values of $m_{\rm Mn}=0.7\:\mu_B$ and $m_{\rm Co}=1.05\:\mu_B$ agree very well with the calculated magnetic moments. Magnetic circular dichroism in angle-resolved photoelectron spectroscopy at the Mn and Co $2p$ core level exhibited a pronounced magnetic dichroism and confirmed the localised character of the Mn $d$ valence states.

Mn$_{3-x}$Co$_{x}$Ga epitaxial thin films were grown on MgO substrates by magnetron co-sputtering. Structures were tetragonal or cubic depending on Co content. Composition dependence of saturation magnetization and uniaxial magnetic anisotropy $K_u$ of the films were investigated. A high $K_u$ (1.2 MJ m$^{-3}$) was achieved for the Mn$_{2.6}$Co$_{0.3}$Ga$_{1.1}$ film with the magnetic moment 0.84$\mu_B$. Valence band spectra were obtained by hard X-ray photoelectron spectroscopy. Sharp peaks in the cubic case, which were absent in the tetragonal case, prove that a van Hove singularity causes a band Jahn-Teller effect with tetragonal distortion. Observations agree well with the first-principles calculations.

Epitaxial semiconducting NiYBi thin films were directly prepared on MgO(100) substrates by magnetron sputtering. The intensity ratio of the (200) and (400) diffraction peaks, I(200)/I(400) = 2.93, was close to the theoretical value (3.03). The electronic structure of NiYBi was calculated using WIEN2k and a narrow indirect band gap of width 210 meV was found. The valence band spectra of the films obtained by linear dichroism in hard X-ray photoelectron spectroscopy exhibit clear structures that are in good agreement with the calculated band structure of NiYBi.

Thin films of the proposed topological insulator PdLuBi - a Heusler compound with the C1b structure - were prepared on Ta-Mo-buffered MgO(100) substrates by co-sputtering from PdBi2 and Lu targets. Epitaxial growth of high-quality PdLuBi films was confirmed by X-ray spectrometry and reflection high-energy electron diffraction. The root-mean-square roughness of the films was as low as 1.45 nm, although the films were deposited at high temperature. The film composition is close to the ideal stoichiometric ratio. The valence band spectra of the PdLuBi films, observed by hard X-ray photoelectron spectroscopy, correspond perfectly to the ab-initio-calculated density of states.

The electronic band structure of thin films and superlattices made of Heusler compounds with NiTiSn and NiZr$_{0.5}$Hf$_{0.5}$Sn composition was studied by means of polarization dependent hard x-ray photoelectron spectroscopy. The linear dichroism allowed to distinguish the symmetry of the valence states of the different types of layered structures. The films exhibit a larger amount of {\it "in-gap"} states compared to bulk samples. It is shown that the films and superlattices grown with NiTiSn as starting layer exhibit an electronic structure close to bulk materials.

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 Co$_2$FeAl 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 Co$_2$FeAl Heusler compound, predicted to be a half-metallic ferromagnet, is revealed from the magnetic dichroism detected in the Fe $2p$ states.

This work reports on high resolution photoelectron spectroscopy for the valence band of Co2Mn(1-x)Fe(x)Si (x=0,0.5,1) excited by photons of about 8 keV energy. The measurements show a good agreement to calculations of the electronic structure using the LDA+U scheme. It is shown that the high energy spectra reveal the bulk electronic structure better compared to low energy XPS spectra. The high resolution measurements of the valence band close to the Fermi energy indicate the existence of the gap in the minority states for all three alloys., Comment: 14 pages, 5 figures, submitted to J. Phys. D: Appl. Phys

This work reports on the bulk properties of the quaternary Heusler alloy Co$_2$Mn$_{1-x}$Fe$_x$Si with the Fe concentration $x=$. All samples, which were prepared by arc melting, exhibit $L2_1$ long range order over the complete range of Fe concentration. Structural and magnetic properties of Co$_2$Mn$_{1-x}$Fe$_x$Si Heusler alloys were investigated by means of X-ray diffraction, high and low temperature magnetometry, M{\"o\ss}bauer spectroscopy, and differential scanning calorimetry. The electronic structure was explored by means of high energy photo emission spectroscopy at about 8 keV photon energy. This ensures true bulk sensitivity of the measurements. The magnetization of the Fe doped Heusler alloys is in agreement with the values of the magnetic moments expected for a Slater-Pauling like behavior of half-metallic ferromagnets. The experimental findings are discussed on the hand of self-consistent calculations of the electronic and magnetic structure. To achieve good agreement with experiment, the calculations indicate that on-site electron-electron correlation must be taken into account, even at low Fe concentration. The present investigation focuses on searching for the quaternary compound where the half-metallic behavior is stable against outside influences. Overall, the results suggest that the best candidate may be found at an iron concentration of about 50%., Comment: 26 pages, 9 figures Phys. Rev. B accepted