arXiv subjects

M. Merz

Publications and source records attributed to M. Merz.

At least 19 recordsLinked to original sources

arXiv2026

Interplay of Charge and Magnetic Orders in SmNiC$_2$ Mediated by Electron-Phonon Interaction

We investigate the interplay between charge density wave (CDW) instabilities and ferromagnetism in SmNiC$_2$ using diffuse and inelastic x-ray scattering together with Raman spectroscopy. We identify a soft acoustic phonon driving the incommensurate CDW (I-CDW) and uncover a second Kohn anomaly at the wave vector of the commensurate CDW (C-CDW) stabilized in other $R$NiC$_2$ members ($R=$ rare earth). The marked softening of both phonons and their contrasting evolution with temperature reveal a competition between the two ordering tendencies. Alongside pronounced anomalies in the temperature dependence of the zone center and soft phonons, we observe the collective amplitude mode of the CDW, which collapses abruptly as ferromagnetism sets in. Surprisingly, the Kohn anomalies persist in the ferromagnetic state despite the degradation of Fermi-surface nesting conditions. Our experimental findings, supported by ab initio calculations, highlight the central role of the electron-phonon interaction in driving the CDW formation and tuning the balance between competing charge and magnetic orders.

cond-mat.str-el↗

arXiv2025

Orbital magnetization in the Nb-substituted Kagome metal CsV$_3$Sb$_5$

This study uses angle-resolved photoemission spectroscopy to examine the low-temperature electronic structure of Cs(V$_{0.95}$Nb$_{0.05}$)$_3$Sb$_5$, demonstrating that partially substituting V atoms with isoelectronic Nb atoms results in \blue{an increase of the band width} and enhanced gap opening at the Dirac-like crossings due to the resulting chemical pressure. This increases the magnetic circular dichroism signal in the angular distribution (MCDAD) compared to CsV$_3$Sb$_5$, enabling detailed analysis of magnetic circular dichroism in several bands near the Fermi level. These results \blue{substantiate} the predicted coupling of orbital magnetic moments to three van Hove singularities near the Fermi level at M points. Previous studies have observed that Nb doping \blue{lowers the charge density transition temperature} and increases the critical temperature for superconductivity. This article demonstrates that Nb doping concomitantly increases the magnetic circular dichroism signal attributed to orbital moments.

cond-mat.mtrl-sci↗

arXiv2025

Hybridization of lattice and charge order excitations in a superconducting cuprate

The ubiquitous tendency of superconducting cuprates to form charge density waves (CDWs) has reignited interest in the nature of their electron-phonon interaction and its role in shaping their phase diagrams. While pronounced dispersion anomalies were reported in several phonon branches, their precise connection to charge order and superconductivity remains unresolved. Here, using high-resolution inelastic x-ray scattering under low temperature and high magnetic field, we uncover a striking phonon renormalization in YBa$_2$Cu$_3$O$_{6+x}$. It appears along a reciprocal space trajectory connecting the wave vectors of a short-range 2D-CDW, emerging above the superconducting transition, and a long-range 3D-CDW, appearing only when superconductivity is strongly suppressed. The spectral changes are strongest around the wave vector of the 3D-CDW despite the fact that it is absent in our experimental conditions. Our findings challenge conventional phonon self-energy renormalization models, instead support a scenario in which low-energy phonons hybridize with dispersive CDW excitations and provide insights into the interplay between lattice vibrations and electronic correlations in high-temperature superconductors.

cond-mat.supr-con↗

arXiv2024

Chemical pressure tuning of competing orders in $\textrm{Ba}_{1-x}\textrm{Ca}_{x}\textrm{Ni}_{2}\textrm{As}_{2}$

$\mathrm{Ba}\mathrm{Ni}_{2}\mathrm{As}_{2}$, a structural-analogue to the iron-based parent compound $\mathrm{Ba}\mathrm{Fe}_{2}\mathrm{As}_{2}$, offers a unique platform to study the interplay between superconductivity, charge density waves and, possibly, electronic nematicity. Here, we report on the growth and characterization of $\mathrm{Ba}_{1-x}\mathrm{Ca}_{x}\mathrm{Ni}_{2}\mathrm{As}_{2}$ single crystals with $0 \leq x \leq 0.1$, using a combination of x-ray diffraction, diffuse x-ray scattering, heat capacity, and electronic transport measurements. Our results demonstrate that calcium substitution affects the structural, electronic and thermodynamic properties of $\mathrm{Ba}\mathrm{Ni}_{2}\mathrm{As}_{2}$ in a way that is strongly reminiscent of moderate hydrostatic pressures albeit with marked differences. In particular Ca-substitution efficiently suppresses both the triclinic structural transition and the associated commensurate charge density wave formation, while increasing the superconducting transition temperature. We found that the substitution range in which the crystals remain homogeneous is limited as for concentrations $x \geq 0.04$ intense diffuse x-ray scattering indicates the formation of stacking faults, which, despite the preserved integrity of the NiAs layers, prevents investigation up to concentrations at which the chemical pressure would completely suppress the structural instability.

cond-mat.supr-con↗

arXiv2023

Doping-Induced Electronic and Structural Phase Transition in the Bulk Weyl Semimetal Mo1-xWxTe2

A comprehensive study of the electronic and structural phase transition from 1T` to Td in the bulk Weyl semimetal Mo1-xWxTe2 at different doping concentrations has been carried out using time-of-flight momentum microscopy (including circular and linear dichroism), X-ray photoelectron spectroscopy (XPS), X-ray photoelectron diffraction (XPD), X-ray diffraction (XRD), angle-resolved Raman spectroscopy, transport measurements, density functional theory (DFT) and Kikuchi pattern calculations. High-resolution angle-resolved photoemission spectroscopy (ARPES) at 20 K reveals surface electronic states, which are indicative of topological Fermi arcs. Their dispersion agrees with the position of Weyl points predicted by DFT calculations based on the experimental crystal structure of our samples determined by XRD. Raman spectroscopy confirms the inversion symmetry breaking for the Td -phase, which is a necessary condition for the emergence of topological states. Transport measurements show that increasing the doping concentration from 2 to 9% leads to an increase in the temperature of the phase transition from 1T` to Td from 230 K to 270 K. Magnetoresistance and longitudinal elastoresistance show significantly increased values in the Td -phase due to stimulated inter-pocket electron backscattering. The results demonstrate the close relationship between electronic properties and elastic deformations in MoTe2.

cond-mat.mtrl-sci↗

arXiv2022

Soft-phonon and charge-density-wave formation in nematic BaNi$_2$As$_2$

We use diffuse and inelastic x-ray scattering to study the formation of an incommensurate charge-density-wave (I-CDW) in BaNi$_2$As$_2$, a candidate system for charge-driven electronic nematicity. Intense diffuse scattering is observed around the modulation vector of the I-CDW, $Q_{I-CDW}$. It is already visible at room temperature and collapses into superstructure reflections in the long-range ordered state where a small orthorhombic distortion occurs. A clear dip in the dispersion of a low-energy transverse optical phonon mode is observed around $Q_{I-CDW}$. The phonon continuously softens upon cooling, ultimately driving the transition to the I-CDW state. The transverse character of the soft-phonon branch elucidates the complex pattern of the I-CDW satellites observed in the current and earlier studies and settles the debated unidirectional nature of the I-CDW. The phonon instability and its reciprocal space position is well captured by our ${ab}$ ${initio}$ calculations. These however indicate that neither Fermi surface nesting, nor enhanced momentum-dependent electron-phonon coupling can account for the I-CDW formation, demonstrating its unconventional nature.% and suggest alternative origins of the I-CDW.

cond-mat.str-el↗

arXiv2022

Elastoresistivity in the incommensurate charge density wave phase of BaNi$_{\textrm{2}}$(As$_{\textrm{1-x}}$P$_{\textrm{x}}$)$_{\textrm{2}}$

Electronic nematicity, the breaking of the crystal lattice rotational symmetry by the electronic fluid, is a fascinating quantum state of matter. Recently, BaNi$_2$As$_2$ has emerged as a promising candidate for a novel type of nematicity triggered by charge fluctuations. In this work, we scrutinize the electronic nematicity of BaNi$_2$(As$_{1-x}$P$_x$)$_2$ with $0 \leq x \leq 0.10$ using electronic transport measurements under strain. We report a large $B_{1g}$ elastoresistance coefficient that is maximized at a temperature slightly higher than the first-order triclinic transition, and that corresponds to the recently discovered tetragonal-to-orthorhombic transition. The reported elastoresistance does not follow the typical Curie-Weiss form observed in iron-based superconductors but has a much sharper temperature dependence with a finite elastoresistance onsetting only together with a strong enhancement of the incommensurate charge density wave of the material. Consequently, the $B_{1g}$ elastoresistance and the associated orthorhombic distortion appears here as a property of this incommensurate charge density wave. Finally, we report and track the hysteretic behavior seen in the resistance versus strain sweeps and interpret its origin as the pinning of orthorhombic domains. Our results revise the understanding of the interplay between nematicity, charge density waves and structural distortions in this material.

cond-mat.str-el↗

arXiv2021

Interpreting Deep Learning Models with Marginal Attribution by Conditioning on Quantiles

A vastly growing literature on explaining deep learning models has emerged. This paper contributes to that literature by introducing a global gradient-based model-agnostic method, which we call Marginal Attribution by Conditioning on Quantiles (MACQ). Our approach is based on analyzing the marginal attribution of predictions (outputs) to individual features (inputs). Specificalllly, we consider variable importance by mixing (global) output levels and, thus, explain how features marginally contribute across different regions of the prediction space. Hence, MACQ can be seen as a marginal attribution counterpart to approaches such as accumulated local effects (ALE), which study the sensitivities of outputs by perturbing inputs. Furthermore, MACQ allows us to separate marginal attribution of individual features from interaction effect, and visually illustrate the 3-way relationship between marginal attribution, output level, and feature value.

stat.ML↗

arXiv2020

Phonon density of states in lanthanide-based nanocrystals

We report a combined inelastic neutron and X-ray scattering study of the phonon density of states of the nano- and microcrystalline lanthanide-based materials NaY$_{0.8}$Yb$_{0.18}$Er$_{0.02}$F$_4$ and NaGd$_{0.8}$Yb$_{0.18}$Er$_{0.02}$F$_4$. While large (20 nm) nanocrystals display the same vibrational spectra as their microcrystalline counterparts, we find an enhanced phonon density of states at low energies, $E \leq 15\,\rm{meV}$, in ultra-small (5 nm) NaGd$_{0.8}$Yb$_{0.18}$Er$_{0.02}$F$_4$ nanocrystals which we assign to an increased relative spectral weight of surface phonon modes. Based on our observations for ultra-small nanocrystals, we rationalize that an increase of the phonon density of states in large nanocrystals due to surface phonons is too small to be observed in the current measurements. The experimental approach described in this report constitutes the first step toward the rationalization of size effects on the modification of the absolute upconversion quantum yield of upconverting nanocrystals.

cond-mat.mes-hall↗

arXiv2020

Lattice-Shifted Nematic Quantum Critical Point in FeSe$_{1-x}$S$_x$

We report the evolution of nematic fluctuations in FeSe$_{1-x}$S$_x$ single crystals as a function of Sulfur content $x$ across the nematic quantum critical point (QCP) $x_c\sim$ 0.17 via Raman scattering. The Raman spectra in the $B_{1g}$ nematic channel consist of two components, but only the low energy one displays clear fingerprints of critical behavior and is attributed to itinerant carriers. Curie-Weiss analysis of the associated nematic susceptibility indicates a substantial effect of nemato-elastic coupling which shifts the location of the nematic QCP. We argue that this lattice-induced shift likely explains the absence of any enhancement of the superconducting transition temperature at the QCP. The presence of two components in the nematic fluctuations spectrum is attributed to the dual aspect of electronic degrees of freedom in Hund's metals, with both itinerant carriers and local moments contributing to the nematic susceptibility.

cond-mat.supr-con↗

arXiv2020

Electronic correlations in the van der Waals ferromagnet Fe$_3$GeTe$_2$ revealed by its charge dynamics

The layered van der Waals ferromagnetic Fe$_3$GeTe$_2$ harbours an unconventional interplay between topology and magnetism, leading to a large anomalous Hall conductivity at low temperatures. Here, we investigate the temperature dependence of its charge dynamics and reveal that upon entering the ferromagnetic state at $T_C \sim 200$ K and further lowering the temperature there is the onset of a gradual spectral weight reshuffling from the mid-infrared range towards far- as well as near-infrared frequencies. This two-fold spectral weight transfer indicates the important role of the Hund's coupling as primary source for electronic correlations and signals an incoherent-coherent crossover at low temperatures. Our findings also convey the electronic environment, based on nodal-line topological states, favouring the large anomalous Hall conductivity.

cond-mat.str-el↗

arXiv2020

Dominant in-plane symmetric elastoresistance in CsFe2As2

We study the elastoresistance of the highly correlated material CsFe2As2 in all symmetry channels. Neutralizing its thermal expansion by means of a piezoelectric-based strain cell is demonstrated to be essential. The elastoresistance response in the in-plane symmetric channel is found to be large, while the response in the symmetry-breaking channels is weaker and provides no evidence for a divergent nematic susceptibility. Rather, our results can be interpreted naturally within the framework of a coherence-incoherence crossover, where the low-temperature coherent state is sensitively tuned by the in-plane atomic distances.

cond-mat.str-el↗

arXiv2020

Vortex-lattice melting and paramagnetic depairing in the nematic superconductor FeSe

The full H-T phase diagram in the nematic superconductor FeSe is mapped out using specific-heat and thermal-expansion measurements down to 0.7 K and up to 30 T for both field directions. A clear thermodynamic signal of an underlying vortex-melting transition is found in both datasets and could be followed down to low temperatures. The existence of significant Gaussian thermal superconducting fluctuations is demonstrated by a scaling analysis, which also yields the mean-field upper critical field Hc2(T). For both field orientations, Hc2(T) shows Pauli-limiting behavior. Whereas the temperature dependence of the vortex-melting line is well described by the model of Houghton et al., Phys. Rev. B 40, 6763 (1989) down to the lowest temperatures for H $\perp$ FeSe layers, the vortex-melting line exhibits an unusual behavior for fields parallel to the planes, where the Pauli limitation is much stronger. Here, the vortex-melting anomaly is only observed down to T*= 2-3 K, and then merges with the Hc2(T) line as predicted by Adachi and Ikeda, Phys. Rev. B 68 184510 (2003). Below T*, Hc2(T) also exhibits a slight upturn possibly related to the occurence of a Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state.

cond-mat.supr-con↗

arXiv2019

Raman scattering study of lattice and magnetic excitations in CrAs

We report on the lattice and spin dynamics in the monopnictide CrAs using polarized Raman scattering. This system exhibits a first-order magneto-structural phase transition at T_N~ 265 K, below which the magnetic moments of Cr form an incommensurate double helical magnetic structure while the unit cell volume abruptly expands. Across the transition, the frequencies of the fully symmetric Ag phonons strongly renormalize, which along with the results of first-principle calculations suggest the presence of a sizeable coupling of the phonons to the magnetic degrees of freedom in this compound. In addition, we observe two broad modes around 350 and 1700 cm-1 in the magnetic phase, which we associate with two-magnon Raman scattering. This work provides one of the few examples of magnetic Raman scattering from a non-collinear magnet.

cond-mat.mtrl-sci↗

arXiv2019

Competing Electronic Phases near the Onset of Superconductivity in Hole-doped SrFe2As2

An intriguingly complex phase diagram of Na-doped SrFe2As2 is uncovered using high-resolution thermal-expansion, magnetization and heat-capacity measurements. The detailed temperature dependence of the orthorhombic distortion and the anisotropy of the uniform magnetic susceptibility provide evidence for nine distinct electronic phases near the transition region between stripe antiferromagnetism and unconventional superconductivity. In particular, we report the finding of a new magnetic phase which competes surprisingly strongly with superconductivity. From theoretical studies we propose that this phase is a double-Q phase consisting of a mixture of symmetry-distinct commensurate magnetic orders with a peculiar temperature-dependent magnetic moment reorientation.

cond-mat.supr-con↗

arXiv2018

Soft phonons reveal the nematic correlation length in Ba(Fe$_{0.94}$Co$_{0.06}$)$_2$As$_2$

Nematicity is ubiquitous in electronic phases of high-$T_c$ superconductors, particularly in the Fe-based systems. While several experiments have probed nematic fluctuations, they have been restricted to uniform or momentum averaged fluctuations. Here, we investigate the behavior of finite-momentum nematic fluctuations by utilizing the anomalous softening of acoustic phonon modes in optimally doped Ba(Fe$_{0.94}$Co$_{0.06}$)$_2$As$_2$. We determine the nematic correlation length and find that it sharply changes its $T$-dependence at $T_c$, revealing a strong connection between nematicity and superconductivity.

cond-mat.supr-con↗

arXiv2018

Robustness of the charge-ordered phases in IrTe$_2$ against photoexcitation

We present a time-resolved angle-resolved photoelectron spectroscopy study of IrTe$_2$, which undergoes two first-order structural and charge-ordered phase transitions on cooling below 270 K and below 180 K. The possibility of inducing a phase transition by photoexcitation with near-infrared femtosecond pulses is investigated in the charge-ordered phases. We observe changes of the spectral function occuring within a few hundreds of femtoseconds and persisting up to several picoseconds, which we interpret as a partial photoinduced phase transition (PIPT). The necessary time for photoinducing these spectral changes increases with increasing photoexcitation density and reaches timescales longer than the rise time of the transient electronic temperature. We conclude that the PIPT is driven by a transient increase of the lattice temperature following the energy transfer from the electrons. However, the photoinduced changes of the spectral function are small, which indicates that the low temperature phase is particularly robust against photoexcitation. We suggest that the system might be trapped in an out-of-equilibrium state, for which only a partial structural transition is achieved.

cond-mat.str-el↗

arXiv2016

Finite-momentum nematic fluctuations soften phonons in the superconducting state of Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$

Nematic order is ubiquitous in liquid crystals and is characterized by a rotational symmetry breaking in an otherwise uniform liquid. Recently a similar phenomenon has been observed in some electronic phases of quantum materials related to high temperature superconductivity, particularly in the Fe-based superconductors. While several experiments have probed nematic fluctuations, they have been primarily restricted to the uniform nematic susceptibility, i.e. q = 0 fluctuations. Here, we investigate the behavior of finite-momentum nematic fluctuations by measuring transverse acoustic phonon modes with wavelengths of up to 25 unit cells in the prototypical Fe-based compound Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$. While the slope of the phonon dispersion gives information about the uniform nematic susceptibility, deviations from this linear behavior at finite but small wave-vectors are attributed to finite-momentum nematic fluctuations. Surprisingly, these non-zero q fluctuations lead to a softening of the phonon mode below the superconducting transition temperature, in contrast to the behavior of the phonon velocity at q = 0, which increases below $T_c$. Our work not only establishes a sound method to probe long wavelength nematic fluctuations, but also sheds light on the unique interplay between nematicity and superconductivity in Fe-based compounds.

cond-mat.supr-con↗