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A. Koitzsch

Publications and source records attributed to A. Koitzsch.

At least 19 recordsLinked to original sources

Nearest-neighbor Kitaev exchange blocked by charge order in electron doped $α$-RuCl$_{3}$

A quantum spin-liquid might be realized in $α$-RuCl$_{3}$, a honeycomb-lattice magnetic material with substantial spin-orbit coupling. Moreover, $α$-RuCl$_{3}$ is a Mott insulator, which implies the possibility that novel exotic phases occur upon doping. Here, we study the electronic structure of this material when intercalated with potassium by photoemission spectroscopy, electron energy loss spectroscopy, and density functional theory calculations. We obtain a stable stoichiometry at K$_{0.5}$RuCl$_3$. This gives rise to a peculiar charge disproportionation into formally Ru$^{2+}$ (4$d^6$) and Ru$^{3+}$ (4$d^5$). Every Ru 4$d^5$ site with one hole in the $t_{2g}$ shell is surrounded by nearest neighbors of 4$d^6$ character, where the $t_{2g}$ level is full and magnetically inert. Thus, each type of Ru sites forms a triangular lattice and nearest-neighbor interactions of the original honeycomb are blocked.

cond-mat.str-el

J$_{eff}$ description of the honeycomb Mott insulator $α$-RuCl$_3$

Novel ground states might be realized in honeycomb lattices with strong spin-orbit coupling. Here we study the electronic structure of $α$-RuCl$_3$, in which the Ru ions are in a d5 configuration and form a honeycomb lattice, by angle-resolved photoemission, x-ray photoemission and electron energy loss spectroscopy supported by density functional theory and multiplet calculations. We find that $α$-RuCl$_3$ is a Mott insulator with significant spin-orbit coupling, whose low energy electronic structure is naturally mapped onto Jeff states. This makes $α$-RuCl$_3$ a promising candidate for the realization of Kitaev physics. Relevant electronic parameters such as the Hubbard energy U, the crystal field splitting 10Dq and the charge transfer energy are evaluated. Furthermore, we observe significant Cl photodesorption with time, which must be taken into account when interpreting photoemission and other surface sensitive experiments.

cond-mat.str-el

Surface properties of SmB6 from x-ray photoelectron spectroscopy

We have investigated the properties of cleaved SmB$_6$ single crystals by x-ray photoelectron spectroscopy. At low temperatures and freshly cleaved samples a surface core level shift is observed which vanishes when the temperature is increased. A Sm valence between 2.5 - 2.6 is derived from the relative intensities of the Sm$^{2+}$ and Sm$^{3+}$ multiplets. The B/Sm intensity ratio obtained from the core levels is always larger than the stoichiometric value. Possible reasons for this deviation are discussed. The B $1s$ signal shows an unexpected complexity: an anomalous low energy component appears with increasing temperature and is assigned to the formation of a suboxide at the surface. While several interesting intrinsic and extrinsic properties of the SmB$_6$ surface are elucidated in this manuscript no clear indication of a trivial mechanism for the prominent surface conductivity is found.

cond-mat.str-el

Band dependent emergence of heavy quasiparticles in CeCoIn5

We investigate the low temperature (T $<$ 2 K) electronic structure of the heavy fermion superconductor CeCoIn5 (T$_c$ = 2.3 K) by angle-resolved photoemission spectroscopy (ARPES). The hybridization between conduction electrons and f-electrons, which ultimately leads to the emergence of heavy quasiparticles responsible for the various unusual properties of such materials, is directly monitored and shown to be strongly band dependent. In particular the most two-dimensional band is found to be the least hybridized one. A simplified multiband version of the Periodic Anderson Model (PAM) is used to describe the data, resulting in semi-quantitative agreement with previous bulk sensitive results from de-Haas-van-Alphen measurements.

cond-mat.supr-con

Investigation of the In-Gap Electronic Structure of LaAlO3 - SrTiO3 Heterointerfaces by Soft X-ray Spectroscopy

We investigated \LAO\ - \STO\ heterointerfaces grown either in oxygen rich or poor atmosphere by soft x-ray spectroscopy. Resonant photoemission across the Ti L$_{2,3}$ absorption edge of the valence band and Ti 2p core level spectroscopy directly monitor the impact of oxygen treatment upon the electronic structure. Two types of Ti$^{3+}$ related charge carriers are identified. One is located at the Fermi energy and related to the filling of the \STO\ conduction band. It appears for low oxygen pressure only. The other one is centered at E$_{B}$ $\approx$ 1 eV and independent of the oxygen pressure during growth. It is probably due to defects. The magnitude of both excitations is comparable. It is shown that low oxygen pressure is detrimental for the Ti - O bonding. Our results shed light on the nature of the charge carriers in the vicinity of the \LAO\ - \STO\ interface.

cond-mat.str-el

Fermi surface of Ba{1-x}KxFe2As2 as probed by angle-resolved photoemission

Here we apply high resolution angle-resolved photoemission spectroscopy (ARPES) using a wide excitation energy range to probe the electronic structure and the Fermi surface topology of the Ba1-xKxFe2As2 (Tc = 32 K) superconductor. We find significant deviations in the low energy band structure from that predicted in calculations. A set of Fermi surface sheets with unexpected topology is detected at the Brillouin zone boundary. At the X-symmetry point the Fermi surface is formed by a shallow electron-like pocket surrounded by four hole-like pockets elongated in G-X and G-Y directions.

cond-mat.supr-con

Momentum-resolved superconducting gap in the bulk of Ba$_{1-x}$K$_{x}$Fe$_2$As$_2$ from combined ARPES and $μ$SR measurements

Here we present a calculation of the temperature-dependent London penetration depth, $λ(T)$, in Ba$_{1-x}$K$_{x}$Fe$_2$As$_2$ (BKFA) on the basis of the electronic band structure [1,2] and momentum-dependent superconducting gap [3] extracted from angle-resolved photoemission spectroscopy (ARPES) data. The results are compared to the direct measurements of $λ(T)$ by muon spin rotation ($μ$SR) [4]. The value of $λ(T=0)$, calculated with \emph{no} adjustable parameters, equals 270 nm, while the directly measured one is 320 nm; the temperature dependence $λ(T)$ is also easily reproduced. Such agreement between the two completely different approaches allows us to conclude that ARPES studies of BKFA are bulk-representative. Our review of the available experimental studies of the superconducting gap in the new iron-based superconductors in general allows us to state that all hole-doped of them bear two nearly isotropic gaps with coupling constants $2Δ/k_{\rm B}T_{\rm c}=2.5\pm1.5$ and $7\pm2$.

cond-mat.supr-con

Momentum dependence of the superconducting gap in Ba$_{1-x}$K$_{x}$Fe$_2$As$_2$

The precise momentum dependence of the superconducting gap in the iron-arsenide superconductor with Tc = 32K (BKFA) was determined from angle-resolved photoemission spectroscopy (ARPES) via fitting the distribution of the quasiparticle density to a model. The model incorporates finite lifetime and experimental resolution effects, as well as accounts for peculiarities of BKFA electronic structure. We have found that the value of the superconducting gap is practically the same for the inner Gamma-barrel, X-pocket, and "blade"-pocket, and equals 9 meV, while the gap on the outer Gamma-barrel is estimated to be less than 4 meV, resulting in 2Delta/kT_c=6.8 for the large gap, and 2Delta/kT_c<3 for the small gap. A large (77 \pm 3%) non-superconducting component in the photoemission signal is observed below T_c. Details of gap extraction from ARPES data are discussed in Appendix.

cond-mat.supr-con

The electronic structure of CeCoIn5 from angle-resolved photoemission spectroscopy I: Comparison to LDA

We have investigated the low-energy electronic structure of the heavy fermion superconductor CeCoIn5 by angle-resolved photoemission and band structure calculations. We measured the Fermi surface and energy distribution maps along the high-symmetry directions at hn = 100 eV and T = 25 K. The compound has quasi two-dimensional Fermi surface sheets centered at the M-A line of the Brillouin zone. The band structure calculations have been carried out within the local density approximation where the 4f electrons have been treated either localized or itinerant. We discuss the comparison to the experimental data and the implications for the nature of the 4f electrons at the given temperature.

cond-mat.supr-con

The electronic structure of CeCoIn5 from angle-resolved photoemission spectroscopy II: Hybridization effects

We have investigated the low-energy electronic structure of the heavy fermion superconductor CeCoIn5 by angle-resolved photoemission. We focus on the dispersion and the peak width of the prominent quasi-two-dimensional Fermi surface sheet at the corner of the Brillouin zone as a function of temperature along certain k-directions with a photon energy of hn = 100 eV. We find slight changes of the Fermi vector and an anomalous broadening of the peak width when the Fermi energy is approached. Additionally we performed resonant ARPES experiments with hn = 121 eV. A flat f-derived band is observed with a distinct temperature dependence and a k-dependent spectral weight. These results, including both off- and on-resonant measurements, fit qualitatively to a two level mixing model derived from the Periodic Anderson Model.

cond-mat.supr-con

Valence band and core level photoemission spectros-copy of LaFeAsO$_{1-x}$F$_{x}$

We have investigated the electronic structure of LaFeAsO$_{1-x}$F$_{x}$ (x = 0; 0.1; 0.2) by angle-integrated photoemission spectroscopy and local density approximation (LDA) based band structure calculations. The valence band consists of a low energy peak at E = -0.25 eV and a broad structure around E = -5 eV in qualitative agreement with LDA. From the photon energy dependence of these peaks we conclude that the former derives almost exclusively from Fe 3d states. This constitutes experimental evidence for the strong iron character of the relevant states in a broad window around EF and confirms theoretical predictions.

cond-mat.supr-con

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

The distribution of valence electrons in metals usually follows the symmetry of an 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[1-3], and are often considered to be essential for superconductivity to exist[4]. Recent measurements[5-9] seem to show that the properties of the iron pnictides[10, 11] are in good agreement with band structure calculations that do not include additional ordering, implying no relation between density waves and superconductivity in those materials[12-15]. Here we report that the electronic structure of Ba1-xKxFe2As2 is in sharp disagreement with those band structure calculations[12-15], instead revealing a reconstruction characterized by a (pi,pi) wave vector. This electronic order coexists with superconductivity and persists up to room temperature.

cond-mat.supr-con

Electronic structure and nesting-driven enhancement of the RKKY interaction at the magnetic ordering propagation vector in Gd2PdSi3 and Tb2PdSi3

We present first-time measurements of the Fermi surface and low-energy electronic structure of intermetallic compounds Gd2PdSi3 and Tb2PdSi3 by means of angle-resolved photoelectron spectroscopy (ARPES). Both materials possess a flower-like Fermi surface consisting of an electron barrel at the G point surrounded by spindle-shaped electron pockets originating from the same band. The band bottom of both features lies at 0.5 eV below the Fermi level. From the experimentally measured band structure, we estimate the momentum-dependent RKKY coupling strength and demonstrate that it is peaked at the 1/2 GK wave vector. Comparison with neutron diffraction data from the same crystals shows perfect agreement of this vector with the propagation vector of the low-temperature in-plane magnetic order, thereby demonstrating the decisive role of the Fermi surface geometry in explaining the complex magnetically ordered ground state of ternary rare earth silicides.

cond-mat.str-el

On the electronic structure of electron doped LaOFeAs as seen by X-ray absorption spectroscopy

We investigated the recently found superconductor LaO_{1-x}F_xFeAs by X-ray absorption spectroscopy (XAS). From a comparison of the O K-edge with LDA calculations we find good agreement and are able to explain the structure and changes of the spectra with electron doping. An important result from this edge is a limitation of the Hubbard U to values not significantly larger than 1 eV. From experimental Fe L_2,3-edge spectra and charge transfer multiplet calculations we gain further information on important physical values such as hopping parameters, the charge transfer energy Delta, and the on-site Hubbard U. Furthermore we find the system to be very covalent with a large amount of ligand holes. A shift in the chemical potential is visible in the O K- and Fe L_2,3-edge spectra which emphasizes the importance of band effects in these compounds.

cond-mat.supr-con

Electron-electron correlation in graphite

The full three dimensional dispersion of the pi-bands, Fermi velocities and effective masses are measured with angle resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functional theory strongly underestimates the slope of the bands and the trigonal warping effect. Including electron-electron calculation on the level of the GW approximation, however, yields remarkable agreement in the vicinity of the Fermi level. This demonstrates the breakdown of the independent electron picture in semi-metallic graphite and points towards a pronounced role of electron correlation for the interpretation of transport experiments and double-resonant Raman scattering for a wide range of carbon based materials.

cond-mat.mtrl-sci

Anisotropic quasiparticle renormalization in Na0.73CoO2: role of inter-orbital interactions and magnetic correlations

We report an angular resolved photoemission study of Na0.73CoO2 where it is found that the renormalization of the quasiparticle (QP) dispersion changes dramatically upon a rotation from GM to GK. The comparison of the experimental data to the calculated band structure reveals that the QP-renormalization is most pronounced along the GK-direction, while it is significantly weaker along the GM-direction. We discuss the observed anisotropy in terms of multiorbital effects and point out the relevance of magnetic correlations for the band structure of Na0.73CoO2.

cond-mat.str-el

Disentangling surface and bulk photoemission using circularly polarized light

We show that in the angle resolved photoemission spectroscopy (ARPES) near-surface induced fields can be useful for disentangling the surface and bulk related emission. The jump of the dielectric function at the interface results in a nonzero term $\operatorname{div}\textbf{A}$ in the photoemission matrix element. The term happens to be significant approximately within the first unit cell and leads to the circular dichroism for the states localized therein. As an example we use ARPES spectra of an YBa$_2$Cu$_3$O$_{7-δ}$ crystal to distinguish between the overdoped surface related component and its bulk counterparts.

cond-mat.supr-con

Relation between the one-particle spectral function and dynamic spin susceptibility in superconducting Bi$_2$Sr$_2$CaCu$_2$O$_{8-δ}$

Angle resolved photoemission spectroscopy (ARPES) provides a detailed view of the renormalized band structure and, consequently, is a key to the self-energy and the single-particle Green's function. Here we summarize the ARPES data accumulated over the whole Brillouin zone for the optimally doped Bi$_2$Sr$_2$CaCu$_2$O$_{8-δ}$ into a parametric model of the Green's function, which we use for calculating the itinerant component of the dynamic spin susceptibility in absolute units with many-body effects taken into account. By comparison with inelastic neutron scattering (INS) data we show that the itinerant component of the spin response can account for the integral intensity of the experimental INS spectrum. Taking into account the bi-layer splitting, we explain the magnetic resonances in the acoustic (odd) and optic (even) INS channels.

cond-mat.supr-con