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Daniel Jost

Publications and source records attributed to Daniel Jost.

29 records · Page 2Linked to original sources

A Broken Translational Symmetry State in an Infinite-Layer Nickelate

A defining signature of strongly correlated electronic systems is the existence of competing phases with similar ground state energies, resulting in a rich phase diagram. While in the recently discovered nickelate superconductors, a high antiferromagnetic exchange energy has been reported, which implies the existence of strong electronic correlations, signatures of competing phases have not yet been observed. Here, we uncover a charge order (CO) in infinite-layer nickelates La1-xSrxNiO2 using resonant x-ray scattering across the Ni L-edge. In the parent compound, the CO arranges along the Ni-O bond direction with an incommensurate wave vector (0.344+/-0.002, 0) r.l.u., distinct from the stripe order in other nickelates which propagates along a direction 45 degree to the Ni-O bond. The CO resonance profile indicates that CO originates from the Ni 3d states and induces a parasitic charge modulation of La electrons. Upon doping, the CO diminishes and the ordering wave vector shifts toward a commensurate value of 1/3 r.l.u., indicating that the CO likely arises from strong correlation effects and not from Fermi surface nesting.

cond-mat.supr-con↗

Morphogenesis and self-organization of persistent filaments confined within flexible biopolymeric shells

We systematically explore the self-assembly of semi-flexible polymers in deformable spherical confinement across a wide regime of chain stiffness, contour lengths and packing fractions by means of coarse-grained molecular dynamics simulations. Compliant, DNA-like filaments are found to undergo a continuous crossover from two distinct surface-ordered quadrupolar states, both characterized by tetrahedral patterns of topological defects, to either longitudinal or latitudinal bipolar structures with increasing polymer concentrations. These transitions, along with the intermediary arrangements that they involve, may be attributed to the combination of an orientational wetting phenomenon with subtle density- and contour-length-dependent variations in the elastic anisotropies of the corresponding liquid crystal phases. Conversely, the organization of rigid, microtubule-like polymers evidences a progressive breakdown of continuum elasticity theory as chain dimensions become comparable to the equilibrium radius of the encapsulating membrane. In this case, we observe a gradual shift from prolate, tactoid-like morphologies to oblate, erythrocyte-like structures with increasing contour lengths, which is shown to arise from the interplay between nematic ordering, polymer and membrane buckling. We further provide numerical evidence of a number of yet-unidentified, self-organized states in such confined systems of stiff achiral filaments, including spontaneous spiral smectic assemblies, faceted polyhedral and twisted bundle-like arrangements. Our results are quantified through the introduction of several order parameters and an unsupervised learning scheme for the localization of surface topological defects, and are in excellent agreement with field-theoretical predictions as well as classical elastic theories of thin rods and spherical shells.

cond-mat.soft↗

Tendencies of enhanced electronic nematicity in the Hubbard model and a comparison with Raman scattering on high-temperature superconductors

The pseudogap regime of the cuprate high-temperature superconductors is characterized by a variety of competing orders, the nature of which are still widely debated. Recent experiments have provided evidence for electron nematic order, in which the electron fluid breaks rotational symmetry while preserving translational invariance. Raman spectroscopy, with its ability to symmetry resolve low energy excitations, is a unique tool that can be used to assess nematic fluctuations and nematic ordering tendencies. Here, we compare results from determinant quantum Monte Carlo simulations of the Hubbard model to experimental results from Raman spectroscopy in $\text{La}_{2-x}\text{Sr}_{x}\text{CuO}_{4}$, which show a prominent increase in the $B_{1g}$ response around 10% hole doping as the temperature decreases, indicative of a rise in nematic fluctuations at low energy. Our results support a picture of nematic fluctuations with $B_{1g}$ symmetry occurring in underdoped cuprates, which may arise from melted stripes at elevated temperatures.

cond-mat.supr-con↗

Raman Study of Cooper Pairing Instabilities in (Li$_{1-x}$Fe$_x$)OHFeSe

We studied the electronic Raman spectra of (Li$_{1-x}$Fe$_x$)OHFeSe as a function of light polarization and temperature. In the B$_{1g}$ spectra alone we observe the redistribution of spectral weight expected for a superconductor and two well-resolved peaks below T$_c$. The nearly resolution-limited peak at 110 cm$^{-1}$ (13.6 meV) is identified as a collective mode. The peak at 190 cm$^{-1}$ (23.6 meV) is presumably another collective mode since the line is symmetric and its energy is significantly below the gap energy observed by single-particle spectroscopies. Given the experimental band structure of (Li$_{1-x}$Fe$_x$)OHFeSe, the most plausible explanations include conventional spin-fluctuation pairing between the electron bands and the incipient hole band and pairing between the hybridized electron bands. The absence of gap features in A$_{1g}$ and B$_{2g}$ symmetry favors the second case. Thus, in spite of various differences between the pnictides and chalcogenides, this Letter demonstrates the proximity of pairing states and the importance of band structure effects in the Fe-based compounds.

cond-mat.supr-con↗

Subdominant $d$-wave interaction in superconducting CaKFe$_4$As$_2$?

We report inelastic light scattering results on the stoichiometric and fully ordered superconductor CaKFe$_4$As$_2$ as a function of temperature and light polarization. In the energy range between 10 and 315 cm$^{-1}$ (1.24 and 39.1 meV) we observe the particle-hole continuum above and below the superconducting transition temperature $T_c$ and 7 of the 8 Raman active phonons. The main focus is placed on the analysis of the electronic excitations. Below $T_c$ all three symmetries projected with in-plane polarizations display a redistribution of spectral weight characteristic for superconductivity. The energies of the pair-breaking peaks in $A_{1g}$ and $B_{2g}$ symmetry are in approximate agreement with the results from photoemission studies. In $B_{1g}$ symmetry the difference between normal and superconducting state is most pronounced, and the feature is shifted downwards with respect to those in $A_{1g}$ and $B_{2g}$ symmetry. The maximum peaking at 134 cm$^{-1}$ (16.6 meV) has a substructure on the high-energy side. We interpret the peak at 134 cm$^{-1}$ in terms of a collective Bardasis-Schrieffer (BS) mode and the substructure as a remainder of the pair-breaking feature on the electron bands. There is a very weak peak at 50 cm$^{-1}$ (6.2 meV) which is tentatively assigned to another BS mode.

cond-mat.supr-con↗

Microscopic pairing fingerprint of the iron-based superconductor ${\rm Ba_{1-x}K_xFe_2As_2}$

Resolving the microscopic pairing mechanism and its experimental identification in unconventional superconductors is among the most vexing problems of contemporary condensed matter physics. We show that Raman spectroscopy provides an avenue for this quest by probing the structure of the pairing interaction at play in an unconventional superconductor. As we study the spectra of the prototypical Fe-based superconductor ${\rm Ba_{1-x}K_xFe_2As_2}$ for $0.22\le x \le 0.70$ in all symmetry channels, Raman spectroscopy allows us to distill the leading $s$-wave state. In addition, the spectra collected in the $B_{1g}$ symmetry channel reveal the existence of two collective modes which are indicative of the presence of two competing, yet sub-dominant, pairing tendencies of $d_{x^2-y^2}$ symmetry type. A comprehensive functional Renormalization Group (fRG) and random-phase approximation (RPA) study on this compound confirms the presence of the two sub-leading channels, and consistently matches the experimental doping dependence of the related modes. The synopsis of experimental evidence and theoretical modelling supports a spin-fluctuation mediated superconducting pairing mechanism.

cond-mat.supr-con↗

Nematic fluctuations and the magneto-structural phase transition in ${\rm Ba(Fe_{1-x}Co_x)_2As_2}$

An inelastic light (Raman) scattering study of nematicity and critical fluctuations in ${\rm Ba(Fe_{1-x}Co_x)_2As_2}$ ($0\le x \le 0.051$) is presented. It is shown that the response from fluctuations appears only in $B_{1g}$ (${x^2-y^2}$) symmetry. The scattering amplitude increases towards the structural transition at $T_s$ but vanishes only below the magnetic ordering transition at $T_{\rm SDW} < T_s$, suggesting a magnetic origin of the fluctuations. The theoretical analysis explains the selection rules and the temperature dependence of the fluctuation response. These results make magnetism the favorite candidate for driving the series of transitions.%Below $T_{\rm SDW}$ the gap of the magnetically ordered phase opens up.

cond-mat.str-el↗

Application of reactive transport modelling to growth and transport of microorganisms in the capillary fringe

A multicomponent multiphase reactive transport simulator has been developed to facilitate the investigation of a large variety of phenomena in porous media including component transport, diffusion, microbiological growth and decay, cell attachment and detachment and phase exchange. The coupled problem is solved using operator splitting. This approach allows a flexible adaptation of the solution strategy to the concrete problem. Moreover, the individual submodels were optimised to be able to describe behaviour of Escherichia coli (HB101 K12 pGLO) in the capillary fringe in the presence or absence of dissolved organic carbon and oxygen under steady-state and flow conditions. Steady-state and flow through experiments in a Hele-Shaw cell, filled with quartz sand, were conducted to study eutrophic bacterial growth and transport in both saturated and unsaturated porous media. As E. coli cells can form the green fluorescent protein (GFP), the cell densities, calculated by evaluation of measured fluorescence intensities (in situ detection) were compared with the cell densities computed by numerical simulation. The comparison showed the laboratory experiments can be well described by our mathematical model.

cs.CE↗

Numerical simulation of growth of Escherichia coli in unsaturated porous media

A model for the aerobic and anaerobic growth of Escherichia coli (HB101 K12 pGLO) depending on the concentration of oxygen and DOC as substrate has been developed based on laboratory batch experiments. Using inverse modelling to obtain optimal sets of parameters, it could be shown that a model based on a modified double Contois kinetic can predict cell densities, organic carbon utilisation, oxygen transfer and utilisation rates for a large number of experiments under aerobic and anaerobic conditions with a single unique set of parameters. The model was extended to describe growth of E. coli in unsaturated porous media, combining diffusion, phase exchange and microbiological growth. Experiments in a Hele-Shaw cell, filled with quartz sand, were conducted to study bacterial growth in the capillary fringe above a saturated porous medium. Cell density profiles in the Hele-Shaw cell were predicted with the growth model and the parameters from the batch experiments without any further calibration. They showed a very good qualitative and quantitative agreement with cell densities determined from samples taken from the Hele-Shaw cell by re-suspension and subsequent counting. Thus it could be shown, that it is possible to successfully transfer growth parameters from batch experiments to porous media for both aerobic and anaerobic conditions.

q-bio.CB↗

Bifurcation in epigenetics: implications in development, proliferation and diseases

Cells often exhibit different and stable phenotypes from the same DNA sequence. Robustness and plasticity of such cellular states are controlled by diverse transcriptional and epigenetic mechanisms, among them the modification of biochemical marks on chromatin. Here, we develop a stochastic model that describes the dynamics of epigenetic marks along a given DNA region. Through mathematical analysis, we show the emergence of bistable and persistent epigenetic states from the cooperative recruitment of modifying enzymes. We also find that the dynamical system exhibits a critical point and displays, in presence of asymmetries in recruitment, a bifurcation diagram with hysteresis. These results have deep implications for our understanding of epigenetic regulation. In particular, our study allows to reconcile within the same formalism the robust maintenance of epigenetic identity observed in differentiated cells, the epigenetic plasticity of pluripotent cells during differentiation and the effects of epigenetic misregulation in diseases. Moreover, it suggests a possible mechanism for developmental transitions where the system is shifted close to the critical point to benefit from high susceptibility to developmental cues.

q-bio.MN↗

Bubble statistics and positioning in superhelically stressed DNA

We present a general framework to study the thermodynamic denaturation of double-stranded DNA under superhelical stress. We report calculations of position- and size-dependent opening probabilities for bubbles along the sequence. Our results are obtained from transfer-matrix solutions of the Zimm-Bragg model for unconstrained DNA and of a self-consistent linearization of the Benham model for superhelical DNA. The numerical efficiency of our method allows for the analysis of entire genomes and of random sequences of corresponding length ($10^6-10^9$ base pairs). We show that, at physiological conditions, opening in superhelical DNA is strongly cooperative with average bubble sizes of $10^2-10^3$ base pairs (bp), and orders of magnitude higher than in unconstrained DNA. In heterogeneous sequences, the average degree of base-pair opening is self-averaging, while bubble localization and statistics are dominated by sequence disorder. Compared to random sequences with identical GC-content, genomic DNA has a significantly increased probability to open large bubbles under superhelical stress. These bubbles are frequently located directly upstream of transcription start sites.

q-bio.BM↗