Lifetime of d-holes at Cu surfaces: Theory and experiment

We have investigated the hole dynamics at copper surfaces by high-resolution angle-resolved photoemission experiments and many-body quasiparticle GW calculations. Large deviations from a free-electron-like picture are observed both in the magnitude and the energy dependence of the lifetimes, with a clear indication that holes exhibit longer lifetimes than electrons with the same excitation energy. Our calculations show that the small overlap of d- and sp-states below the Fermi level is responsible for the observed enhancement. Although there is qualitative good agreement of our theoretical predictions and the measured lifetimes, there still exist some discrepancies pointing to the need of a better description of the actual band structure of the solid.Comment: 15 pages, 7 figures, 1 table, to appear in Phys. Rev.

Orbital and spin correlations in Ca2−x_{2-x}Srx_xRuO4_4: A mean field study

The alloy Ca$_{2-x}$Sr$_x$RuO$_4$ exhibits a complex phase diagram with peculiar magnetic metallic phases. In this paper some aspects of this alloy are discussed based on a mean field theory for an effective Kugel-Khomskii model of localized orbital and spin degrees of freedom. This model results from an orbital selective Mott transition which in the three-band system localized two orbitals while leaving the third one itinerant. Special attention is given to the region around a structure quantum phase transition at $x \approx 0.5$ where the crystal lattice changes from tetragonal to orthorhombic symmetry while leaving the system metallic. This transition yields, a change from ferromagnetic to antiferromagnetic spin correlations. The complete mean field phase diagram for this transition is given including orbital and spin order. The anisotropy of spin susceptibility, a consequence of spin-orbit coupling and orbital correlation, is a tell-tale sign of one of these phases. In the predominantly antiferromagnetic phase we describe a metamagnetic transition in a magnetic field and show that coupling of the itinerant band to the localized degrees of freedom yields an anomalous longitudinal magnetoresistance transition. Both phenomena are connected with the evolution of the ferromagnetic and antiferromagnetic domains in the external magnetic field and agree qualitatively with the experimental findings.Comment: 12 pages, accepted for publication in EPJ

Hole dynamics in noble metals

We present a detailed analysis of hole dynamics in noble metals (Cu and Au), by means of first-principles many-body calculations. While holes in a free-electron gas are known to live shorter than electrons with the same excitation energy, our results indicate that d-holes in noble metals exhibit longer inelastic lifetimes than excited sp-electrons, in agreement with experiment. The density of states available for d-hole decay is larger than that for the decay of excited electrons; however, the small overlap between d- and sp-states below the Fermi level increases the d-hole lifetime. The impact of d-hole dynamics on electron-hole correlation effects, which are of relevance in the analysis of time-resolved two-photon photoemission experiments, is also addressed.Comment: 4 pages, 2 figures, to appear in Phys. Rev. Let

Ethical considerations in on-ground applications of the ecosystem services concept

The ecosystem services (ES) concept is one of the main avenues for conveying society's dependence on natural ecosystems. On-ground applications of the concept are now widespread and diverse and include its use as a communication tool, for policy guidance and priority setting, and for designing economic instruments for conservation. Each application raises ethical considerations beyond traditional controversies related to the monetary valuation of nature. We review ethical considerations across major on-ground applications and group them into the following categories: anthropocentric framing, economic metaphor, monetary valuation, commodification, sociocultural impact, changes in motivations, and equity implications. Different applications of the ES concept raise different suites of ethical issues, and we propose methods to address the issues most relevant to each application. We conclude that the ES concept should be considered as only one among various alternative approaches to valuing nature and that reliance on economic metaphors can exclude other motivations for protecting ecosystems

Symmetry-Breaking Phase Transition without Peierls Mechanism in Conducting Monoatomic Chains

The one-dimensional (1D) model system Au/Ge(001), consisting of linear chains of single atoms on a surface, is scrutinized for lattice instabilities predicted in the Peierls paradigm. By scanning tunneling microscopy and electron diffraction we reveal a second-order phase transition at 585 K. It leads to charge ordering with transversal and vertical displacements and complex interchain correlations. However, the structural phase transition is not accompanied by the electronic signatures of a charge density wave, thus precluding a Peierls instability as origin. Instead, this symmetry-breaking transition exhibits three-dimensional critical behavior. This reflects a dichotomy between the decoupled 1D electron system and the structural elements that interact via the substrate. Such substrate-mediated coupling between the wires thus appears to have been underestimated also in related chain systems.Comment: 5 pages, 4 figures, accepted at Physical Review Letters 09/201

Phenomenological theory of the 3 Kelvin phase in Sr2RuO4

We model the 3K-phase of Sr2RuO4 with Ru-metal inclusion as interface state with locally enhanced transition temperatures. The resulting 3K-phase must have a different pairing symmetry than the bulk phase of Sr2RuO4, because the symmetry at the interface is lower than in the bulk. It is invariant under time reversal and a second transition, in general, above the onset of bulk superconductivity is expected where time reversal symmetry is broken. The nucleation of the 3K-phase exhibits a ``capillary effect'' which can lead to frustration phenomena for the superconducting states on different Ru-inclusions. Furthermore, the phase structure of the pair wave function gives rise to zero-energy quasiparticle states which would be visible in quasiparticle tunneling spectra. Additional characteristic properties are associated with the upper critical field Hc2. The 3K-phase has a weaker anisotropy of Hc2 between the inplane and z-axis orientation than the bulk superconducting phase. This is connected with the more isotropic nature Ru-metal which yields a stronger orbital depairing effect for the inplane magnetic field than in the strongly layered Sr$_2RuO4. An anomalous temperature dependence for the z-axis critical field is found due to the coupling of the magnetic field to the order parameter texture at the interface. Various other experiments are discussed and new measurements are suggested.Comment: 10 pages, 5 figure

Magnetic Phase Diagram of Ca2-xSrxRuO4 Governed by Structural Distortions

We constructed, by the first-principles calculations, a magnetic phase diagram of Sr$_{2}$RuO$_4$ in the space spanned by structural distortions. Our phase diagram can qualitatively explain the experimental one for Ca$_{2-x}$Sr$_x$RuO$_4$. We found that the rotation and the tilting of RuO$_6$ octahedron are responsible for the ferro- and antiferro-magnetism, respectively, while the flattening of RuO$_6$ is the key factor to stabilize those magnetic ground states. Our results imply that the magnetic and the structural instabilities in Sr$_2$RuO$_4$ are closely correlated cooperatively rather than competitively.Comment: 3 figures; accepted by PRB as rapid communicatio

Dynamics of Excited Electrons in Copper: Role of Auger Electrons

Within a theoretical model based on the Boltzmann equation, we analyze in detail the structure of the unusual peak recently observed in the relaxation time in Cu. In particular, we discuss the role of Auger electrons in the electron dynamics and its dependence on the d-hole lifetime, the optical transition matrix elements and the laser pulse duration. We find that the Auger contribution to the distribution is very sensitive to both the d-hole lifetime tau_h and the laser pulse duration tau_l and can be expressed as a monotonic function of tau_l/tau_h. We have found that for a given tau_h, the Auger contribution is significantly smaller for a short pulse duration than for a longer one. We show that the relaxation time at the peak depends linearly on the d-hole lifetime, but interestingly not on the amount of Auger electrons generated. We provide a simple expression for the relaxation time of excited electrons which shows that its shape can be understood by a phase space argument and its amplitude is governed by the d-hole lifetime. We also find that the height of the peak depends on both the ratio of the optical transition matrix elements R=|M_{d \to sp}|^2/|M_{sp \to sp}|^2 and the laser pulse duration. Assuming a reasonable value for the ratio, namely R = 2, and a d-hole lifetime of tau_h=35 fs, we obtain for the calculated height of the peak Delta tau_{th}=14 fs, in fair agreement with Delta tau_{exp} \approx 17 fs measured for polycrystalline Cu.Comment: 6 pages, 6 figure

Atomic-scale images of charge ordering in a mixed-valence manganite

Transition-metal perovskite oxides exhibit a wide range of extraordinary but imperfectly understood phenomena. Charge, spin, orbital, and lattice degrees of freedom all undergo order-disorder transitions in regimes not far from where the best-known of these phenomena, namely high-temperature superconductivity of the copper oxides, and the 'colossal' magnetoresistance of the manganese oxides, occur. Mostly diffraction techniques, sensitive either to the spin or the ionic core, have been used to measure the order. Unfortunately, because they are only weakly sensitive to valence electrons and yield superposition of signals from distinct mesoscopic phases, they cannot directly image mesoscopic phase coexistence and charge ordering, two key features of the manganites. Here we describe the first experiment to image charge ordering and phase separation in real space with atomic-scale resolution in a transition metal oxide. Our scanning tunneling microscopy (STM) data show that charge order is correlated with structural order, as well as with whether the material is locally metallic or insulating, thus giving an atomic-scale basis for descriptions of the manganites as mixtures of electronically and structurally distinct phases.Comment: 8 pages, 4 figures, 19 reference

Photoemission and x-ray absorption study of MgC_(1-x)Ni_3

We investigated electronic structure of MgC_(1-x)Ni_3 with photoemission and x-ray absorption spectroscopy. Both results show that overall band structure is in reasonable agreement with band structure calculations including the existence of von Hove singularity (vHs)near E_F. However, we find that the sharp vHs peak theoretically predicted near the E_F is substantially suppressed. As for the Ni core level and absorption spectrum, there exist the satellites of Ni 2p which have a little larger energy separation and reduced intensity compared to the case of Ni-metal. These facts indicate that correlation effects among Ni 3d electrons may be important to understand various physical properties.Comment: 12 pages, 4 figure