Atomic and Electronic Structure of a Rashba pp-nn Junction at the BiTeI Surface

The non-centrosymmetric semiconductor BiTeI exhibits two distinct surface terminations that support spin-split Rashba surface states. Their ambipolarity can be exploited for creating spin-polarized $p$-$n$ junctions at the boundaries between domains with different surface terminations. We use scanning tunneling microscopy/spectroscopy (STM/STS) to locate such junctions and investigate their atomic and electronic properties. The Te- and I-terminated surfaces are identified owing to their distinct chemical reactivity, and an apparent height mismatch of electronic origin. The Rashba surface states are revealed in the STS spectra by the onset of a van Hove singularity at the band edge. Eventually, an electronic depletion is found on interfacial Te atoms, consistent with the formation of a space charge area in typical $p$-$n$ junctions.Comment: 5 pages, 4 figure

Ce-L3-XAS study of the temperature dependence of the 4f occupancy in the Kondo system Ce2Rh3Al9

We have used temperature dependent x-ray absorption at the Ce-L3 edge to investigate the recently discovered Kondo compound Ce2Rh3Al9. The systematic changes of the spectral lineshape with decreasing temperature are analyzed and found to be related to a change in the $4f$ occupation number, n_f, as the system undergoes a transition into a Kondo state. The temperature dependence of $n_f$ indicates a characteristic temperature of 150K, which is clearly related with the high temperature anomaly observed in the magnetic susceptibility of the same system. The further anomaly observed in the resistivity of this system at low temperature (ca. 20K) has no effect on n_f and is thus not of Kondo origin.Comment: 7 pages, three figures, submitted to PR

The asymmetric single-impurity Anderson model - the modified perturbation theory

We investigate the single-impurity Anderson model by means of the recently introduced modified perturbation theory. This approximation scheme yields reasonable results away from the symmetric case. The agreement with exactly known results for the symmetric case is checked, and results for the non-symmetric case are presented. With decreasing conduction band occupation, the breakdown of the screening of the local moment is observed. In the crossover regime between Kondo limit and mixed-valence regime, an enhanced zero-temperature susceptibility is found.Comment: 7 pages, 7 figures, to appear in Physica

Giant alkali-metal-induced lattice relaxation as the driving force of the insulating phase of alkali-metal/Si(111):B

Ab initio density-functional theory calculations, photoemission spectroscopy (PES), scanning tunneling microscopy, and spectroscopy (STM, STS) have been used to solve the 2√3 x 2√3R30 surface reconstruction observed previously by LEED on 0.5 ML K/Si:B. A large K-induced vertical lattice relaxation occurring only for 3/4 of Si adatoms is shown to quantitatively explain both the chemical shift of 1.14 eV and the ratio 1/3 measured on the two distinct B 1s core levels. A gap is observed between valence and conduction surface bands by ARPES and STS which is shown to have mainly a Si-B character. Finally, the calculated STM images agree with our experimental results. This work solves the controversy about the origin of the insulating ground state of alkali-metal/Si(111):B semiconducting interfaces which were believed previously to be related to many-body effectsThis work has received the financial support of the French ANR SURMOTT program (ANR-09-BLAN- 0210-01) and the Spanish MICIIN under Project No. FIS2010-1604

Self-ordered nanoporous lattice formed by chlorine atoms on Au(111)

A self-ordered nanoporous lattice formed by individual chlorine atoms on the Au(111) surface has been studied with low-temperature scanning tunneling microscopy, low-energy electron diffraction, and density functional theory calculations. We have found out that room-temperature adsorption of 0.09–0.30 monolayers of chlorine on Au(111) followed by cooling below 110 K results in the spontaneous formation of a nanoporous quasihexagonal structure with a periodicity of 25–38 Å depending on the initial chlorine coverage. The driving force of the superstructure formation is attributed to the substrate-mediated elastic interaction

Low-temperature coherence in the periodic Anderson model: Predictions for photoemission of heavy Fermions

We present numerically exact predictions of the periodic and single-impurity Anderson models to address photoemission experiments on heavy Fermion systems. Unlike the single impurity model the lattice model is able to account for the enhanced intensity, dispersion, and apparent weak temperature dependence of the Kondo resonant peak seen in recent controversial photoemission experiments. We present a consistent interpretation of these results as a crossover from the impurity regime to an effective Hubbard model regime described by Nozieres.Comment: 4 pages, 3 figure

Anomalous spectral weight in photoemission spectra of the hole doped Haldane chain Y2-xSrxBaNiO5

In this paper, we present photoemission experiments on the hole doped Haldane chain compound $Y_{2-x}Sr_xBaNiO_5$. By using the photon energy dependence of the photoemission cross section, we identified the symmetry of the first ionisation states (d type). Hole doping in this system leads to a significant increase in the spectral weight at the top of the valence band without any change in the vicinity of the Fermi energy. This behavior, not observed in other charge transfer oxides at low doping level, could result from the inhomogeneous character of the doped system and from a Ni 3d-O 2p hybridization enhancement due to the shortening of the relevant Ni-O distance in the localized hole-doped regions.Comment: 5 pages, 4 figure

Band Calculations for Ce Compounds with AuCu3_{3}-type Crystal Structure on the basis of Dynamical Mean Field Theory I. CePd3_{3} and CeRh3_{3}

Band calculations for Ce compounds with the AuCu$_{3}$-type crystal structure were carried out on the basis of dynamical mean field theory (DMFT). The auxiliary impurity problem was solved by a method named NCA$f^{2}$vc (noncrossing approximation including the $f^{2}$ state as a vertex correction). The calculations take into account the crystal-field splitting, the spin-orbit interaction, and the correct exchange process of the $f^{1} \rightarrow f^{0},f^{2}$ virtual excitation. These are necessary features in the quantitative band theory for Ce compounds and in the calculation of their excitation spectra. The results of applying the calculation to CePd$_{3}$ and CeRh$_{3}$ are presented as the first in a series of papers. The experimental results of the photoemission spectrum (PES), the inverse PES, the angle-resolved PES, and the magnetic excitation spectra were reasonably reproduced by the first-principles DMFT band calculation. At low temperatures, the Fermi surface (FS) structure of CePd$_{3}$ is similar to that of the band obtained by the local density approximation. It gradually changes into a form that is similar to the FS of LaPd$_{3}$ as the temperature increases, since the $4f$ band shifts to the high-energy side and the lifetime broadening becomes large.}Comment: 12 pasges, 13 figure

High-resolution Ce 3d-edge resonant photoemission study of CeNi_2

Resonant photoemission (RPES) at the Ce 3d -> 4f threshold has been performed for alpha-like compound CeNi_2 with extremely high energy resolution (full width at half maximum < 0.2 eV) to obtain bulk-sensitive 4f spectral weight. The on-resonance spectrum shows a sharp resolution-limited peak near the Fermi energy which can be assigned to the tail of the Kondo resonance. However, the spin-orbit side band around 0.3 eV binding energy corresponding to the f_{7/2} peak is washed out, in contrast to the RPES spectrum at the Ce 3d -> 4f RPES threshold. This is interpreted as due to the different surface sensitivity, and the bulk-sensitive Ce 3d -> 4f RPES spectra are found to be consistent with other electron spectroscopy and low energy properties for alpha-like Ce-transition metal compounds, thus resolves controversy on the interpretation of Ce compound photoemission. The 4f spectral weight over the whole valence band can also be fitted fairly well with the Gunnarsson-Schoenhammer calculation of the single impurity Anderson model, although the detailed features show some dependence on the hybridization band shape and (possibly) Ce 5d emissions.Comment: 4 pages, 3 figur

Electronic structure investigation of CeB6 by means of soft X-ray scattering

The electronic structure of the heavy fermion compound CeB6 is probed by resonant inelastic soft X-ray scattering using photon energies across the Ce 3d and 4d absorption edges. The hybridization between the localized 4f orbitals and the delocalized valence-band states is studied by identifying the different spectral contributions from inelastic Raman scattering and normal fluorescence. Pronounced energy-loss structures are observed below the elastic peak at both the 3d and 4d thresholds. The origin and character of the inelastic scattering structures are discussed in terms of charge-transfer excitations in connection to the dipole allowed transitions with 4f character. Calculations within the single impurity Anderson model with full multiplet effects are found to yield consistent spectral functions to the experimental data.Comment: 9 pages, 4 figures, 1 table, http://link.aps.org/doi/10.1103/PhysRevB.63.07510