M. Knupfer

Bio: M. Knupfer is an academic researcher from Leibniz Institute for Solid State and Materials Research. The author has contributed to research in topics: Electronic structure & Angle-resolved photoemission spectroscopy. The author has an hindex of 39, co-authored 203 publications receiving 4881 citations. Previous affiliations of M. Knupfer include Université de Namur & Chemnitz University of Technology.

(pi, pi) electronic order in iron arsenide superconductors.

Abstract: The distribution of valence electrons in metals usually follows the symmetry of the underlying ionic lattice. Modulations of this distribution often occur when those electrons are not stable with respect to a new electronic order, such as spin or charge density waves. Electron density waves have been observed in many families of superconductors, and are often considered to be essential for superconductivity to exist. Recent measurements seem to show that the properties of the iron pnictides are in good agreement with band structure calculations that do not include additional ordering, implying no relation between density waves and superconductivity in these materials. Here we report that the electronic structure of Ba(1-x)K(x)Fe(2)As(2) is in sharp disagreement with those band structure calculations, and instead reveals a reconstruction characterized by a (pi, pi) wavevector. This electronic order coexists with superconductivity and persists up to room temperature (300 K).

Fluorination of copper phthalocyanines: Electronic structure and interface properties

Abstract: We compare the electronic structure of differently fluorinated copper phthalocyanines (CuPC, CuPCF4, and CuPCF16) using x-ray photoemission spectroscopy and valence-band ultraviolet photoemission spectroscopy. Whereas the ionization potential (IP) is increased by more than 1 eV as a function of the degree of fluorination, further electronic properties such as the optical gap or the composition of the highest occupied molecular orbital and lowest unoccupied molecular orbital remain nearly unchanged. This fact renders these compounds an ideal tool for the investigation of the influence of the IP on the interface properties. At the interface to gold, besides interface dipoles we observe both downward and upward band bending. These phenomena depend clearly on the IP of the phthalocyanines.

Observation of a universal donor-dependent vibrational mode in graphene

Abstract: It has been suggested that it might be possible to induce superconductivity in graphene by increasing the electron–phonon coupling through doping. A systematic ARPES study conducted by Fedorov et al. finds that all donor atoms induce an unexpected vibrational mode, with the strongest generated by calcium.

Novel catalysts, room temperature, and the importance of oxygen for the synthesis of single-walled carbon nanotubes.

Abstract: In this letter, we show for the first time the use of metal oxides as catalysts in the synthesis of single-walled carbon nanotubes (SWCNTs) using laser ablation. Further, SWCNTs have been synthesized at low temperature (down to room temperature), where their nucleation cannot be explained via fullerene nucleation. The data point to a nucleation mechanism previously not identified, that places a stable oxidized ring as the root cause for the growth of SWCNTs.

Electronic excitations: density-functional versus many-body Green's-function approaches

Abstract: Electronic excitations lie at the origin of most of the commonly measured spectra. However, the first-principles computation of excited states requires a larger effort than ground-state calculations, which can be very efficiently carried out within density-functional theory. On the other hand, two theoretical and computational tools have come to prominence for the description of electronic excitations. One of them, many-body perturbation theory, is based on a set of Green’s-function equations, starting with a one-electron propagator and considering the electron-hole Green’s function for the response. Key ingredients are the electron’s self-energy S and the electron-hole interaction. A good approximation for S is obtained with Hedin’s GW approach, using density-functional theory as a zero-order solution. First-principles GW calculations for real systems have been successfully carried out since the 1980s. Similarly, the electron-hole interaction is well described by the Bethe-Salpeter equation, via a functional derivative of S. An alternative approach to calculating electronic excitations is the time-dependent density-functional theory (TDDFT), which offers the important practical advantage of a dependence on density rather than on multivariable Green’s functions. This approach leads to a screening equation similar to the Bethe-Salpeter one, but with a two-point, rather than a four-point, interaction kernel. At present, the simple adiabatic local-density approximation has given promising results for finite systems, but has significant deficiencies in the description of absorption spectra in solids, leading to wrong excitation energies, the absence of bound excitonic states, and appreciable distortions of the spectral line shapes. The search for improved TDDFT potentials and kernels is hence a subject of increasing interest. It can be addressed within the framework of many-body perturbation theory: in fact, both the Green’s functions and the TDDFT approaches profit from mutual insight. This review compares the theoretical and practical aspects of the two approaches and their specific numerical implementations, and presents an overview of accomplishments and work in progress.

Angle-resolved photoemission studies of the cuprate superconductors

Abstract: The last decade witnessed significant progress in angle-resolved photoemission spectroscopy (ARPES) and its applications. Today, ARPES experiments with 2-meV energy resolution and $0.2\ifmmode^\circ\else\textdegree\fi{}$ angular resolution are a reality even for photoemission on solids. These technological advances and the improved sample quality have enabled ARPES to emerge as a leading tool in the investigation of the high-${T}_{c}$ superconductors. This paper reviews the most recent ARPES results on the cuprate superconductors and their insulating parent and sister compounds, with the purpose of providing an updated summary of the extensive literature. The low-energy excitations are discussed with emphasis on some of the most relevant issues, such as the Fermi surface and remnant Fermi surface, the superconducting gap, the pseudogap and $d$-wave-like dispersion, evidence of electronic inhomogeneity and nanoscale phase separation, the emergence of coherent quasiparticles through the superconducting transition, and many-body effects in the one-particle spectral function due to the interaction of the charge with magnetic and/or lattice degrees of freedom. Given the dynamic nature of the field, we chose to focus mainly on reviewing the experimental data, as on the experimental side a general consensus has been reached, whereas interpretations and related theoretical models can vary significantly. The first part of the paper introduces photoemission spectroscopy in the context of strongly interacting systems, along with an update on the state-of-the-art instrumentation. The second part provides an overview of the scientific issues relevant to the investigation of the low-energy electronic structure by ARPES. The rest of the paper is devoted to the experimental results from the cuprates, and the discussion is organized along conceptual lines: normal-state electronic structure, interlayer interaction, superconducting gap, coherent superconducting peak, pseudogap, electron self-energy, and collective modes. Within each topic, ARPES data from the various copper oxides are presented.

On the theory of superconductivity

Abstract: IN two previous notes1, Prof. Max Born and I have shown that one can obtain a theory of superconductivity by taking account of the fact that the interaction of the electrons with the ionic lattice is appreciable only near the boundaries of Brillouin zones, and particularly strong near the corners of these. This leads to the criterion that the metal should be superconductive if a set of corners of a Brillouin zone is lying very near the Fermi surface, considered as a sphere, which limits the region in the momentum space completely filled with electrons.

Doped Graphene Sheets As Anode Materials with Superhigh Rate and Large Capacity for Lithium Ion Batteries

Abstract: [Wu, Zhong-Shuai; Ren, Wencai; Xu, Li; Li, Feng; Cheng, Hui-Ming] Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China.;Ren, WC (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Peoples R China;wcren@imr.ac.cn cheng@imr.ac.cn

The puzzle of high temperature superconductivity in layered iron pnictides and chalcogenides

Abstract: The response of the worldwide scientific community to the discovery in 2008 of superconductivity at T c = 26 K in the Fe-based compound LaFeAsO1−x F x has been very enthusiastic. In short order, ot...