arXiv subjects

R. K. Kremer

Publications and source records attributed to R. K. Kremer.

At least 37 records · Page 2Linked to original sources

arXiv2012

Evidence of a bond-nematic phase in LiCuVO4

Polarized and unpolarized neutron scattering experiments on the frustrated ferromagnetic spin-1/2 chain LiCuVO4 show that the phase transition at HQ of 8 Tesla is driven by quadrupolar fluctuations and that dipolar correlations are short-range with moments parallel to the applied magnetic field in the high-field phase. Heat-capacity measurements evidence a phase transition into this high-field phase, with an anomaly clearly different from that at low magnetic fields. Our experimental data are consistent with a picture where the ground state above HQ has a next-nearest neighbour bond-nematic order along the chains with a fluid-like coherence between weakly coupled chains.

cond-mat.str-el↗

arXiv2012

CuBr2-A New Multiferroic Material with High Critical Temperature

A new multiferroic material, CuBr2, is reported for the first time. CuBr2 has not only a high transition temperature (close to liquid nitrogen temperature) but also low dielectric loss and strong magnetoelectric coupling. These findings reveal the importance of anion effects in the search for the high temperature multiferroics materials among these low-dimensional spin systems.

cond-mat.str-el↗

arXiv2011

Vibrational and Thermal Properties of ZnX (X=Se, Te): Density Functional Theory (LDA and GGA) versus Experiment

We calculated the phonon dispersion relations of ZnX (X=Se, Te) employing ab initio techniques. These relations have been used to evaluate the temperature dependence of the respective specific heats of crystals with varied isotopic compositions. These results have been compared with mea- surements performed on crystals down to 2 K. The calculated and measured data are generally in excellent agreement with each other. Trends in the phonon dispersion relations and the correspond- ing densities of states for the zinc chalcogenide series of zincblende-type materials are discussed.

cond-mat.mtrl-sci↗

arXiv2011

Evolution of transport properties of BaFe2-xRuxAs2 in a wide range of isovalent Ru substitution

The effects of isovalent Ru substitution at the Fe sites of BaFe2-xRuxAs2 are investigated by measuring resistivity and Hall coefficient on high-quality single crystals in a wide range of doping (0 < x < 1.4). Ru substitution weakens the antiferromagnetic (AFM) order, inducing superconductivity for relatively high doping level of 0.4 < x < 0.9. Near the AFM phase boundary, the transport properties show non-Fermi-liquid-like behaviors with a linear-temperature dependence of resistivity and a strong temperature dependence of Hall coefficient with a sign change. Upon higher doping, however, both of them recover conventional Fermi-liquid behaviors. Strong doping dependence of Hall coefficient together with a small magnetoresistance suggest that the anomalous transport properties can be explained in terms of anisotropic charge carrier scattering due to interband AFM fluctuations rather than a conventional multi-band scenario.

cond-mat.supr-con↗

arXiv2011

Quasi-one-dimensional antiferromagnetism and multiferroicity in CuCrO$_4$

The bulk magnetic properties of the new quasi-one-dimensional Heisenberg antiferromagnet, CuCrO$_4$, were characterized by magnetic susceptibility, heat capacity, optical spectroscopy, EPR and dielectric capacitance measurements and density functional evaluations of the intra- and interchain spin exchange interactions. We found type-II multiferroicity below the Néel temperature of 8.2(5) K, arising from competing antiferromagnetic nearest-neighbor ($J_{\rm nn}$) and next-nearest-neighbor ($J_{\rm nnn}$) intra-chain spin exchange interactions. Experimental and theoretical results indicate that the ratio $J_{\rm nn}/J_{\rm nnn}$ is close to 2, putting CuCrO$_4$ in the vicinity of the Majumdar-Ghosh point.

cond-mat.str-el↗

arXiv2011

Analogies of structural instabilities in EuTiO3 and SrTiO3

Specific heat measurements and theoretical calculations reveal an intimate analogy between EuTiO3 and SrTiO3. For EuTiO3 a hitherto unknown specific heat anomaly is discovered at TA=282(1)K which is analogous to the well known specific heat anomaly of SrTiO3 at TA=105K caused by an antiferrodistortive transition. Since the zone center soft phonon mode observed in both systems can be modeled with the same parameters we ascribe the new 282(1)K instability of EuTiO3 to an antiferrodistortive phase transition. The higher transition temperature of EuTiO3 as compared to SrTiO3 results from spin phonon coupling.

cond-mat.str-el↗

arXiv2011

Spin-Peierls transition in TiPO$_4$

We investigated the magnetic and structural properties of the quasi-one dimensional 3$d^1$-quantum chain system TiPO$_4$ ($J \sim$ 965 K) by magnetic susceptibility, heat capacity, ESR, x-ray diffraction, NMR measurements, and by density functional calculations. TiPO$_4$ undergoes two magnetostructural phase transitions, one at 111 K and the other at 74 K. Below 74 K, NMR detects two different $^{31}$P signals and the magnetic susceptibility vanishes, while DFT calculations evidence a bond alternation of the Ti...Ti distances within each chain. Thus, the 74 K phase transition is a spin-Peierls transition which evolves from an incommensurate phase existing between 111 K and 74 K.

cond-mat.str-el↗

arXiv2011

Ferroelectricity from spin supercurrents in LiCuVO4

We have studied the magnetic structure of the ferroelectric frustrated spin-1/2 chain material LiCuVO4 in applied electric and magnetic fields using polarized neutrons. A symmetry and mean-field analysis of the data rules out the presence of static Dzyaloshinskii-Moriya interaction, while exchange striction is shown to be negligible by our specific-heat measurements. The experimentally observed magnetoelectric coupling is in excellent agreement with the predictions of a purely electronic mechanism based on spin supercurrents.

cond-mat.str-el↗

arXiv2011

Reply to: Comment by S.-L. Drechsler et al. (arXiv:1006.5070v2)

In a comment on arXiv:1006.5070v2, Drechsler et al. claim that the frustrated ferromagnetic spin-1/2 chain LiCuVO4 should be described by a strong rather than weak ferromagnetic nearest-neighbor interaction, in contradiction with their previous work. Their comment is based on DMRG and ED calculations of the magnetization curve and the magnetic excitations. We show that their parameters are at odds with the magnetic susceptibility and the magnetic excitation spectrum, once intensities are taken into account, and that the magnetization curve cannot discriminate between largely different parameter sets within experimental uncertainties. We further show that their new exact diagonalization results support the validity of the RPA-approach, and strongly reinforce our conclusion on the existence of a four-spinon continuum in LiCuVO4, see Enderle et al., Phys. Rev. Lett. 104 (2010) 237207.

cond-mat.str-el↗

arXiv2011

Electronic and phononic properties of the chalcopyrite CuGaS2

The availability of ab initio electronic calculations and the concomitant techniques for deriving the corresponding lattice dynamics have been profusely used for calculating thermodynamic and vibrational properties of semiconductors, as well as their dependence on isotopic masses. The latter have been compared with experimental data for elemental and binary semiconductors with different isotopic compositions. Here we present theoretical and experimental data for several vibronic and thermodynamic properties of CuGa2, a canonical ternary semiconductor of the chalcopyrite family. Among these properties are the lattice parameters, the phonon dispersion relations and densities of states (projected on the Cu, Ga, and S constituents), the specific heat and the volume thermal expansion coefficient. The calculations were performed with the ABINIT and VASP codes within the LDA approximation for exchange and correlation and the results are compared with data obtained on samples with the natural isotope composition for Cu, Ga and S, as well as for isotope enriched samples.

cond-mat.mtrl-sci↗

arXiv2010

Reply to: Comment by S.-L. Drechsler et al. (arXiv:1006.5070v1)

In a comment on arXiv:1006.5070v1, Drechsler et al. present new band-structure calculations suggesting that the frustrated ferromagnetic spin-1/2 chain LiCuVO4 should be described by a strong rather than weak ferromagnetic nearest-neighbor interaction, in contradiction with their previous calculations. In our reply, we show that their new results are at odds with the observed magnetic structure, that their analysis of the static susceptibility neglects important contributions, and that their criticism of the spin-wave analysis of the bound-state dispersion is unfounded. We further show that their new exact diagonalization results reinforce our conclusion on the existence of a four-spinon continuum in LiCuVO4, see Enderle et al., Phys. Rev. Lett. 104 (2010) 237207.

cond-mat.str-el↗

arXiv2010

Electronic and phononic properties of cinnabar: ab initio calculations and some experimental results

We report ab initio calculations of the electronic band structure, the corresponding optical spectra, and the phonon dispersion relations of trigonal alpha-HgS (cinnabar). The calculated dielectric functions are compared with unpublished optical measurements by Zallen and coworkers. The phonon dispersion relations are used to calculate the temperature and isotopic mass dependence of the specific heat which has been compared with experimental data obtained on samples with the natural isotope abundances of the elements Hg and S (natural minerals and vapor phase grown samples) and on samples prepared from isotope enriched elements by vapor phase transport. Comparison of the calculated vibrational frequencies with Raman and ir data is also presented. Contrary to the case of cubic beta-HgS (metacinnabar), the spin-orbit splitting of the top valence bands at the Gamma-point of the Brillouin zone (Delta_0) is positive, because of a smaller admixture of 5d core electrons of Hg. Calculations of the lattice parameters, and the pressure dependence of Delta_0 and the corresponding direct gap E_0~2eV are also presented. The lowest absorption edge is confirmed to be indirect.

cond-mat.mtrl-sci↗

arXiv2010

Specific heat of Ba0.68K0.32Fe2As2: evidence for multiband strong-coupling superconductivity

The specific heat of high-purity $\rm Ba_{0.68}K_{0.32}Fe_2As_2$ single crystals with the highest reported superconducting $T_c$ = 38.5 K was studied. The electronic specific heat, $C_p$, below $T_c$ shows two gap features, with $Δ_1 \approx 11$ meV and $Δ_2 \approx 3.5$ meV obtained from an $α$-model analysis. The reduced gap value, $2Δ^{\rm max} / k_B T_c \approx 6.6$, the magnitude of the specific heat jump, $ΔC_p(T_c)/T_c$, and its slope below $T_c$ exhibit strong-coupling character. We also show that an Eliashberg model with two hole and two electron bands gives the correct values of $T_c$, the superconducting gaps, and the temperature dependence of the free-energy difference.

cond-mat.supr-con↗

arXiv2010

Magnetic structure of the edge-sharing copper oxide chain compound NaCu2O2

Single-crystal neutron diffraction has been used to determine the incommensurate magnetic structure of NaCu2O2, a compound built up of chains of edge-sharing CuO4 plaquettes. Magnetic structures compatible with the lattice symmetry were identified by a group-theoretical analysis, and their magnetic structure factors were compared to the experimentally observed Bragg intensities. In conjunction with other experimental data, this analysis yields an elliptical helix structure in which both the helicity and the polarization plane alternate among copper-oxide chains. This magnetic ground state is discussed in the context of the recently reported multiferroic properties of other copper-oxide chain compounds.

cond-mat.str-el↗

arXiv2010

Electron-hole asymmetry in Co- and Mn-doped SrFe2As2

Phase diagram of electron and hole-doped SrFe2As2 single crystals is investigated using Co and Mn substitution at the Fe-sites. We found that the spin-density-wave state is suppressed by both dopants, but the superconducting phase appears only for Co (electron)-doping, not for Mn (hole)-doping. Absence of the superconductivity by Mn-doping is in sharp contrast to the hole-doped system with K-substitution at the Sr sites. Distinct structural change, in particular the increase of the Fe-As distance by Mn-doping is important to have a magnetic and semiconducting ground state as confirmed by first principles calculations. The absence of electron-hole symmetry in the Fe-site-doped SrFe2As2 suggests that the occurrence of high-Tc superconductivity is sensitive to the structural modification rather than the charge doping.

cond-mat.supr-con↗

arXiv2010

Nonlinear Hall effect and multichannel conduction in LaTiO3/SrTiO3 superlattices

We report magneto-transport properties of heterointerfaces between the Mott insulator LaTiO3 and the band insulator SrTiO3 in a delta-doping geometry. At low temperatures, we have found a strong nonlinearity in the magnetic field dependence of the Hall resistivity, which can be effectively controlled by varying the temperature and the electric field. We attribute this effect to multichannel conduction of interfacial charges generated by an electronic reconstruction. In particular, the formation of a highly mobile conduction channel revealed by our data is explained by the greatly increased dielectric permeability of SrTiO3 at low temperatures, and its electric-field dependence reflects the spatial distribution of the quasi-two-dimensional electron gas.

cond-mat.str-el↗

arXiv2009

Electronic, vibrational, and thermodynamic properties of ZnS (zincblende and rocksalt structure)

We have measured the specific heat of zincblende ZnS for several isotopic compositions and over a broad temperature range (3 to 1100 K). We have compared these results with calculations based on ab initio electronic band structures, performed using both LDA and GGA exchange- correlation functionals. We have compared the lattice dynamics obtained in this manner with experimental data and have calculated the one-phonon and two-phonon densities of states. We have also calculated mode Grueneisen parameters at a number of high symmetry points of the Brillouin zone. The electronic part of our calculations has been used to investigate the effect of the 3d core electrons of zinc on the spin-orbit splitting of the top valence bands. The effect of these core electrons on the band structure of the rock salt modification of ZnS is also discussed.

cond-mat.mtrl-sci↗

arXiv2009

Exciton doublet in the Mott-Hubbard LiCuVO$_4$ insulator identified by spectral ellipsometry

Spectroscopic ellipsometry was used to study the dielectric function of LiCuVO$_{4}$, a compound comprised of chains of edge-sharing CuO$_4$ plaquettes, in the spectral range (0.75 - 6.5) eV at temperatures (7-300) K. For photon polarization along the chains, the data reveal a weak but well-resolved two-peak structure centered at 2.15 and 2.95 eV whose spectral weight is strongly enhanced upon cooling near the magnetic ordering temperature. We identify these features as an exciton doublet in the Mott-Hubbard gap that emerges as a consequence of the Coulomb interaction between electrons on nearest and next-nearest neighbor sites along the chains. Our results and methodology can be used to address the role of the long-range Coulomb repulsion for compounds with doped copper-oxide chains and planes.

cond-mat.str-el↗