arXiv subjects

M. Hoinkis

Publications and source records attributed to M. Hoinkis.

12 recordsLinked to original sources

arXiv2007

Cluster Dynamical Mean-field calculations for TiOCl

Based on a combination of cluster dynamical mean field theory (DMFT) and density functional calculations, we calculated the angle-integrated spectral density in the layered $s=1/2$ quantum magnet TiOCl. The agreement with recent photoemission and oxygen K-edge X-ray absorption spectroscopy experiments is found to be good. Th e improvement achieved with this calculation with respect to previous single-site DMFT calculations is an indication of the correlated nature and low-dimensionality of TiOCl.

cond-mat.str-el↗

arXiv2007

Are the renormalized band widths in TTF-TCNQ of structural or electronic origin? - An angular dependent NEXAFS study

We have performed angle-dependent near-edge x-ray absorption fine structure measurements in the Auger electron yield mode on the correlated quasi-one-dimensional organic conductor TTF-TCNQ in order to determine the orientation of the molecules in the topmost surface layer. We find that the tilt angles of the molecules with respect to the one-dimensional axis are essentially the same as in the bulk. Thus we can rule out surface relaxation as the origin of the renormalized band widths which were inferred from the analysis of photoemission data within the one-dimensional Hubbard model. Thereby recent theoretical results are corroborated which invoke long-range Coulomb repulsion as alternative explanation to understand the spectral dispersions of TTF-TCNQ quantitatively within an extended Hubbard model.

cond-mat.str-el↗

arXiv2006

Muon-spin relaxation measurements on the dimerized spin-1/2 chains NaTiSi2O6 and TiOCl

We report muon spin relaxation (muSR) and magnetic susceptibility investigations of two Ti3+ chain compounds which each exhibit a spin gap at low temperature, NaTiSi2O6 and TiOCl. From these we conclude that the spin gap in NaTiSi2O6 is temperature independent, with a value of 2*Delta=660(50)K, arising from orbital ordering at Too = 210K; the associated structural fluctuations activate the muon spin relaxation rate up to temperatures above 270K. In TiOCl we find thermally activated spin fluctuations corresponding to a spin gap 2*Delta=420(40)K below Tc1=67K. We also compare the methods used to extract the spin gap and the concentration of free spins within the samples from muSR and magnetic susceptibility data.

cond-mat.str-el↗

arXiv2006

One-dimensional versus two-dimensional correlation effects in the oxyhalides TiOCl and TiOBr

We have performed a comparative study of the electronic structures of the spin-Peierls systems TiOCl and TiOBr by means of photoemission spectroscopy and density functional calculations. While the overall electronic structure of these isostructural compounds is qualitatively similar, the bromide appears to be less one-dimensional. We present a quantitative analysis of the experimental dispersions in terms of exchange constant J and hopping integral t as well as a discussion of the qualitative spectral features. From that we conclude that despite the one-dimensional physics triggering the ground state in both compounds a proper description of the normal state electronic structure has to take into account the anisotropic frustrated interchain interactions on the underlying triangular lattice.

cond-mat.str-el↗

arXiv2006

Pressure-induced insulator-to-metal transition in low-dimensional TiOCl

We studied the transmittance and reflectance of the low-dimensional Mott-Hubbard insulator TiOCl in the infrared and visible frequency range as a function of pressure. The strong suppression of the transmittance and the abrupt increase of the near-infrared reflectance above 12 GPa suggest a pressure-induced insulator-to-metal transition. The pressure-dependent frequency shifts of the orbital excitations, as well as the pressure dependences of the charge gap and the spectral weight of the optical conductivity above the phase transition are presented.

cond-mat.str-el↗

arXiv2006

Spin dynamics in the low-dimensional magnet TiOCl

We present detailed ESR investigations on single crystals of the low-dimensional quantum magnet TiOCl. The anisotropy of the g-factor indicates a stable orbital configuration below room temperature, and allows to estimate the energy of the first excited state as 0.3(1) eV ruling out a possible degeneracy of the orbital ground state. Moreover, we discuss the possible spin relaxation mechanisms in TiOCl and analyze the angular and temperature dependence of the linewidth up to 250 K in terms of anisotropic exchange interactions. Towards higher temperatures an exponential increase of the linewidth is observed, indicating an additional relaxation mechanism.

cond-mat.str-el↗

arXiv2006

Incommensurate structure of the spin-Peierls compound TiOCl

We report on a detailed single crystal x-ray diffraction study of the unconventional spin-Peierls compound TiOCl. The intermediate phase of TiOCl is characterized by an incommensurate modulation which is virtually identical to that recently found in the homologue compound TiOBr. The first order phase transition between the spin-Peierls ground state and the incommensurate phase reveals the same kind of thermal hysteresis in both, its crystal structure and magnetic susceptibility. A weak, but significant magnetic field effect is found for this phase transition with a field induced shift of the transition temperature of Delta Tc1= -0.13 K for an applied field of B=10 T along the chain direction. The field induced changes of the incommensurate crystal structure are compatible with a scenario of competing intra- and inter-chain interactions.

cond-mat.str-el↗

arXiv2005

Unusual quasi-one-dimensional electron dispersions in the spin-1/2 quantum magnet TiOCl

We have studied the electronic structure of the spin-1/2 quantum magnet TiOCl by polarization-dependent momentum-resolved photoelectron spectroscopy. From that, we confirm the quasi-one-dimensional nature of the electronic structure along the crystallographic b-axis and find no evidence for sizable phonon-induced orbital fluctuations as origin for the non-canonical phenomenology of the spin-Peierls transition in this compound. A comparison of the experimental data to our own LDA+U and Hubbard model calculations reveals a striking lack of understanding regarding the quasi-one-dimensional electron dispersions in the normal state of this compound.

cond-mat.str-el↗

arXiv2005

Spin-Polarized Standing Waves in the Fermi Surface of a Ferromagnetic Thin Film

The spin-selective electron reflection at a ferromagnetic-paramagnetic interface is investigated using Fe films on a W(110) substrate. Angle-resolved photoemission of the majority and minority Fermi surfaces of the Fe film is used to probe standing wave formation. Intense quantum well states resulting from interfacial reflection are observed exclusively for majority states. Such high spin polarization is explained by the Fermi surface topology of the connecting substrate, and we argue that Fe/W is a particularly suitable interface for that purpose.

cond-mat.other↗

arXiv2005

Spin-Peierls transition in TiOCl

Temperature-dependent x-ray diffraction of the low-dimensional spin 1/2 quantum magnet TiOCl shows that the phase transition at T_{c2} = 90 K corresponds to a lowering of the lattice symmetry. Below T_{c1} = 66 K a twofold superstructure develops, that indicates the formation of spin-singlet pairs via direct exchange between neighboring Ti atoms, while the role of superexchange is found to be negligible. TiOCl thus is identified as a spin-Peierls system of pure 1D chains of atoms. The first-order character of the transition at T_{c1} is explained by the competition between the structurally deformed state below T_{c2} and the spin-Peierls state below T_{c1}.

cond-mat.mtrl-sci↗

arXiv2005

Fermi Surface and Electron Correlation Effects of Ferromagnetic Iron

The electronic band structure of bulk ferromagnetic iron is explored by angle-resolved photoemission for electron correlation effects. Fermi surface cross-sections as well as band maps are contrasted with density functional calculations. The Fermi vectors and band parameters obtained from photoemission and their prediction from band theory are analyzed in detail. Generally good agreement is found for the Fermi surface. A bandwidth reduction for shallow bands of ~ 30 % is observed. Additional strong quasiparticle renormalization effects are found near the Fermi level, leading to a considerable mass enhancement. The role of electronic correlation effects and the electronic coupling to magnetic excitations is discussed in view of the experimental results.

cond-mat.str-el↗

arXiv2005

Heat capacity of the quantum magnet TiOCl

Measurements of the heat capacity C(T,H) of the one-dimensional quantum magnet TiOCl are presented for temperatures 2K < T < 300K and magnetic fields up to 5T. Distinct anomalies at 91K and 67K signal two subsequent phase transitions. The lower of these transitions clearly is of first order and seems to be related to the spin degrees of freedom. The transition at 92K probably involves the lattice and/or orbital moments. A detailed analysis of the data reveals that the entropy change through both transitions is surprisingly small (~ 0.1R), pointing to the existence strong fluctuations well into the non-ordered high-temperature phase. No significant magnetic field dependence was detected.

cond-mat.str-el↗