arXiv subjects

Ralph Claessen

Publications and source records attributed to Ralph Claessen.

46 records · Page 3Linked to original sources

arXiv2017

Double Band Inversion in $ α$-Sn: Appearance of Topological Surface States and the Role of Orbital Composition

The electronic structure of \graySn(001) thin films strained compressively in-plane was studied both experimentally and theoretically. A new topological surface state (TSS) located entirely within the gapless projected bulk bands is revealed by \textit{ab initio}-based tight-binding calculations as well as directly accessed by soft X-ray angle-resolved photoemission. The topological character of this state, which is a surface resonance, is confirmed by unravelling the band inversion and by calculating the topological invariants. In agreement with experiment, electronic structure calculations show the maximum density of states in the subsurface region, while the already established TSS near the Fermi level is strongly localized at the surface. Such varied behavior is explained by the differences in orbital composition between the specific TSS and its associated bulk states, respectively. This provides an orbital protection mechanism for topological states against mixing with the background of bulk bands.

cond-mat.str-el↗

arXiv2016

Spin Chains and Electron Transfer at Stepped Silicon Surfaces

High-index surfaces of silicon with adsorbed gold can reconstruct to form highly ordered linear step arrays. These steps take the form of a narrow strip of graphitic silicon. In some cases - specifically, for Si(553)-Au and Si(557)-Au - a large fraction of the silicon atoms at the exposed edge of this strip are known to be spin-polarized and charge-ordered along the edge. The periodicity of this charge ordering is always commensurate with the structural periodicity along the step edge and hence leads to highly ordered arrays of local magnetic moments that can be regarded as "spin chains". Here, we demonstrate theoretically as well as experimentally that the closely related Si(775)-Au surface has - despite its very similar overall structure - zero spin polarization at its step edge. Using a combination of density-functional theory and scanning tunneling microscopy, we propose an electron-counting model that accounts for these differences. The model also predicts that unintentional defects and intentional dopants can create local spin moments at Si(hhk)-Au step edges. We analyze in detail one of these predictions and verify it experimentally. This finding opens the door to using techniques of surface chemistry and atom manipulation to create and control silicon spin chains.

cond-mat.str-el↗

arXiv2016

Two-dimensional crossover and strong coupling of plasmon excitations in arrays of one-dimensional atomic wires

The collective electronic excitations of arrays of Au chains on regularly stepped Si(553) and Si(775) surfaces were studied using electron loss spectroscopy with simultaneous high energy and momentum resolution (ELS-LEED) in combination with low energy electron diffraction (SPA-LEED) and tunneling microscopy. Both surfaces contain a double chain of gold atoms per terrace. Although one-dimensional metallicity and plasmon dispersion is observed only along the wires, two-dimensional effects are important, since plasmon dispersion explicitly depends both on the structural motif of the wires and the terrace width. The electron density on each terrace turns out to be modulated, as seen by tunneling spectroscopy (STS). The effective wire width of 7.5\,Å for Si(553)-Au -- 10.2\,Å for Si(775)-Au -- , determined from plasmon dispersion is in good agreement with STS data. Clear evidence for coupling between wires is seen beyond nearest neighbor coupling.

cond-mat.mes-hall↗

arXiv2015

Triangular Spin-Orbit-Coupled Lattice with Strong Coulomb Correlations: Sn Atoms on a SiC(0001) Substrate

Two-dimensional (2D) atom lattices provide model setups for Coulomb correlations inducing competing ground states, partly with topological character. Hexagonal SiC(0001) is an intriguing wide-gap substrate, spectroscopically separated from the overlayer and hence reduced screening. We report the first study of an artificial high-Z atom lattice on SiC(0001) by Sn adatoms, based on combined experimental realization and theoretical modeling. Density-functional theory of our $\sqrt{3}$-structure model closely reproduces the scanning tunneling microscopy. Instead of metallic behavior, photoemission data show a deeply gapped state (~2 eV gap). Based on our calculations including dynamic mean-field theory, we argue that this reflects a pronounced Mott insulating scenario. We also find indications that the system is susceptible to antiferromagnetic superstructures. Such spin-orbit-coupled correlated heavy atom lattices on SiC(0001) thus form a novel testbed for peculiar quantum states of matter, with potential bearing for spin liquids and topological Mott insulators.

cond-mat.str-el↗

arXiv2013

Absence of metallicity in K-doped picene: Importance of electronic correlations

Potassium-doped picene (K$_x$picene) has recently been reported to be a superconductor at $x=3$ with critical temperatures up to 18 K. Here we study the electronic structure of K-doped picene films by photoelectron spectroscopy and {\it ab initio} density functional theory combined with dynamical mean-field theory (DFT+DMFT). Experimentally we observe that, except for spurious spectral weight due to the lack of a homogeneous chemical potential at low K-concentrations ($x \approx 1$), the spectra always display a finite energy gap. This result is supported by our DFT+DMFT calculations which provide clear evidence that K$_x$picene is a Mott insulator for integer doping concentrations $x=1$, 2, and 3. We discuss various scenarios to understand the discrepancies with previous reports of superconductivity and metallic behavior.

cond-mat.str-el↗

arXiv2012

Three-Dimensional Spin Rotations at the Fermi Surface of a Strongly Spin-Orbit Coupled Surface System

The spin texture of the metallic two-dimensional electron system (root3 x root3)-Au/Ge(111) is revealed by fully three-dimensional spin-resolved photoemission, as well as by density functional calculations. The large hexagonal Fermi surface, generated by the Au atoms, shows a significant splitting due to spin-orbit interactions. The planar components of the spin exhibit helical character, accompanied by a strong out-of-plane spin component with alternating signs along the six Fermi surface sections. Moreover, in-plane spin rotations towards a radial direction are observed close to the hexagon corners. Such a threefold-symmetric spin pattern is not described by the conventional Rashba model. Instead, it reveals an interplay with Dresselhaus-like spin-orbit effects as a result of the crystalline anisotropies.

cond-mat.str-el↗

arXiv2011

Magnetic-Order Induced Spectral-Weight Redistribution in a Triangular Surface System

The Sn-induced $\sqrt3 \times \sqrt3$ surface reconstruction on Si(111) has been investigated by material-specific many-body calculations and by angle-resolved photoelectron spectroscopy (ARPES). This triangular surface system in the low adatom coverage regime is governed by rather localized dangling bond orbitals with enhanced electronic correlations and it is prone to exhibit magnetic frustration. We find a rather good overall agreement of the spectral function and its temperature-dependence between theory and experiment. Changes in the ARPES band topology in comparison to the density functional calculations can be explained as a spectral weight redistribution with respect to an additional symmetry which is not due to any geometrical change. This new symmetry corresponds to a magnetic order, which is found to be more complex than the canonical $120^{\circ}$ anti-ferromagnetic order on a triangular lattice with nearest-neighbor coupling only.

cond-mat.str-el↗

arXiv2011

Unoccupied electronic structure of TiOCl studied by x-ray absorption near-edge spectroscopy

We study the unoccupied electronic structure of the spin-1/2 quantum magnet TiOCl by x-ray absorption near-edge spectroscopy (XANES) at the Ti L and O K edges. Data is acquired both in total electron and fluorescence yield mode (TEY and FY, respectively). While only the latter allows to access the unconventional low-temperature spin-Peierls (SP) phase of TiOCl the signal is found to suffer from significant self-absorption in this case. Nevertheless, we conclude from FY data that effects of the SP distortion on the electronic structure are absent within experimental accuracy. The similarity of room-temperature FY and TEY data, the latter not being obscured by self-absorption, allows us to use TEY spectra for comparison with simulations. These are performed by cluster calculations in D$_{4h}$ and D$_{2h}$ symmetries using two different codes. We extract values of the crystal-field splitting (CFS) and parametrize our results in often found notations by Slater, Racah and Butler. In all cases, good agreement with published values from other studies is found.

cond-mat.str-el↗

arXiv2011

Two-Spinon and Orbital Excitations of the Spin-Peierls System TiOCl

We combine high-resolution resonant inelastic x-ray scattering with cluster calculations utilizing a recently derived effective magnetic scattering operator to analyze the polarization, excitation energy, and momentum dependent excitation spectrum of the low-dimensional quantum magnet TiOCl in the range expected for orbital and magnetic excitations (0 - 2.5 eV). Ti 3d orbital excitations yield complete information on the temperature-dependent crystal-field splitting. In the spin-Peierls phase we observe a dispersive two-spinon excitation and estimate the inter- and intra-dimer magnetic exchange coupling from a comparison to cluster calculations.

cond-mat.str-el↗

arXiv2002

Phenomenological Modeling of Photoemission Spectra in Strongly Correlated Electron Systems

A phenomenological approach is presented that allows one to model, and thereby interpret, photoemission spectra of strongly correlated electron systems. A simple analytical formula for the self-energy is proposed. This self-energy describes both coherent and incoherent parts of the spectrum (quasiparticle and Hubbard peaks, respectively). Free parameters in the expression are determined by fitting the density of states to experimental photoemission data. An explicit fitting is presented for the La$_{1-x}$Sr$_x$TiO$_3$ system with $0.08 \le x \le 0.38$. In general, our phenomenological approach provides information on the effective mass, the Hubbard interaction, and the spectral weight distribution in different parts of the spectrum. Limitations of this approach are also discussed.

cond-mat.str-el↗