arXiv subjects

S. Wurmehl

Publications and source records attributed to S. Wurmehl.

At least 19 recordsLinked to original sources

arXiv2026

Nematicity in LaFeAsO single crystals studied by elastoresistance, high-resolution thermal expansion and shear-modulus measurements

Nematicity in LaFeAsO single crystals is studied by means of high-resolution thermal expansion, shear modulus, and elastoresistivity measurements. A softening of the shear modulus $C_{\rm 66}$ towards the structural phase transition at $T_{\rm S}$ is observed. In addition, a similar Curie-Weiss-like divergence of the nematic susceptibilities is found in the temperature dependence of both $χ^{sh}$ and $χ^{er}$, which are deduced from the shear modulus (sh) and the elastoresistivity (er) studies, respectively. These observations provide evidence for an electronic origin of nematicity in LaFeAsO. The characteristic energy of the coupling between the lattice and the electronic degrees of freedom is deduced to $\sim$30~K. The comparison to corresponding measurements on BaFe$_2$As$_2$ single crystals reveals a very similar temperature dependence of the shear modulus but yields contrasting results for $χ^{er}$ : In BaFe$_2$As$_2$, $χ^{er}$ diverges similarly as the uncoupled nematicity deduced from the shear modulus data as it is expected from the underlying Landau theory. In contrast, the Weiss temperatures of $χ^{er}$ and $χ^{sh}$ are significantly different in LaFeAsO. This difference is at odds with the commonly anticipated theories of resistivity anisotropy and electronic nematicity in iron pnictides.

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arXiv2026

Unconventional mixed state in the nematic superconductor LiFeAs

In the mixed state of type-II bulk superconductors, the magnetic field penetrates in the form of vortices enclosing one magnetic flux quantum: this is the conventional Abrikosov vortex lattice. Here, by using transverse muon-spin spectroscopy, we demonstrate the presence of an unconventional vortex lattice in LiFeAs single crystals. We also show evidence that the new mixed phase consists of stripes of "coreless" vortices, which are bound states of two spatially separated half-quantum vortices.

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arXiv2025

Frustration-driven unconventional magnetism in the Mn$^{2+}$ ($S=\frac{5}{2}$) based two-dimensional triangular-lattice antiferromagnet Ba$_{3}$MnTa$_{2}$O$_{9}$

A triple perovskite oxide Ba$_{3}$MnTa$_{2}$O$_{9}$ has been synthesized and its magnetic properties have been investigated through dc and ac magnetization, specific heat, electron spin resonance (ESR) measurements, and density functional theory (DFT) calculations. Mn$^{2+}$ ($S$ = 5/2) ions are the only magnetic species present in the material. These Mn$^{2+}$ ions constitute a quasi-two-dimensional triangular network in the crystallographic $ab$-plane. Magnetization and specific heat measurements reveal the absence of any long-range magnetic order down to 0.5\,K despite the presence of antiferromagnetic correlations between the magnetic ions, suggesting the presence of geometric frustration in the material. The entropy release is lower than the expected theoretical value of $Rln(6)$, further suggesting the presence of frustration. First-principles calculations using density functional theory (DFT) and atomistic spin dynamics (ASD) simulations further support this lack of static magnetic order even at low temperatures and identify the competing magnetic interactions along with the quasi-2D magnetic dimensionality as the underlying origin of such an unconventional magnetic behavior.

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arXiv2021

Linkage between scattering rates and superconductivity in doped ferropnictides

We report an angle-resolved photoemission study of a series of hole and electron doped iron-based superconductors, their parent compound BaFe2As2, and their cousins BaCr2As2 and BaCo2As2. We focus on the energy (E) dependent scattering rate Gamma(E) as a function of the 3d count and on the renormalization function Z(E) of the inner hole pocket, which is the hot spot in these compounds. We obtain a non-Fermi-liquid-like linear in energy scattering rate Gamma(E>> kBT), independent of the dopant concentration. The main result is that the slope beta=Gamma(E >> kBT)/E, reaches its maxima near optimal doping and scales with the superconducting transition temperature. This supports the spin fluctuation model for superconductivity for these materials. In the optimally hole-doped compound, the slope of the scattering rate of the inner hole pocket is about three times bigger than the Planckian limit Gamma(E)/E~1. This result together with the energy dependence of the renormalization function Z(E) signals very incoherent charge carriers in the normal state which transform at low temperatures to a coherent unconventional superconducting state.

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arXiv2021

The role of the nominal iron content in the structural, compositional and physical properties of BaFe$_{2+δ}$S$_3$

BaFe$_2$S$_3$ is a quasi-one-dimensional antiferromagnetic insulator that becomes superconducting under hydrostatic pressure. The magnetic ordering temperature, $T_N$, as well as the presence of superconductivity have been found to be sample dependent. It has been argued that the Fe content may play a decisive role, with the use of 5%mol excess Fe being reportedly required during the synthesis to optimize the magnetic ordering temperature and the superconducting properties. However, it is yet unclear whether an Fe off-stoichiometry is actually present in the samples, and how it affects the structural, magnetic and transport properties. Here, we present a systematic study of compositional, structural and physical properties of BaFe$_{2+δ}$S$_3$ as a function of the nominal Fe excess $δ$. As $δ$ increases, we observe the presence of an increasing fraction of secondary phases but no systematic change in the composition or crystal structure of the main phase. Magnetic susceptibility curves are influenced by the presence of magnetic secondary phases. The previously reported maximum of $T_N$ at $δ$=0.1 was not confirmed. Samples with nominal $δ$=0 present the lowest $T_N$ and the resistivity anomaly at the highest temperature $T^*$ while, for $δ\geq 0.05$, both quantities and the transport gap are seemingly $δ$-independent. Finally, we show that crystals free of ferromagnetic spurious phases can be obtained by remelting samples with nominal $δ$=0.05 in a Bridgman process.

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arXiv2020

Magnetic interactions in the tripod-kagome antiferromagnet Mg$_{2}$Gd$_{3}$Sb$_{3}$O$_{14}$ probed by static magnetometry and high-field ESR spectroscopy

We report an experimental study of the static magnetization $M(H,T)$ and high-field electron spin resonance (ESR) of polycrystalline \MgGd, a representative member of the newly discovered class of the so-called tripod-kagome antiferromagnets where the isotropic Gd$^{3+}$ spins ($S = 7/2$) form a two-dimensional kagome spin-frustrated lattice. It follows from the analysis of the low-$T$ $M(H)$-curves that the Gd$^{3+}$ spins are coupled by a small isotropic antiferromagnetic (AFM) exchange interaction $|J| \approx$ 0.3\,K. The $M(H,T)$-dependences measured down to 0.5\,K evidence a long-range AFM order at $T_{\text{N}} = 1.7$\,K and its rapid suppression at higher fields $\geq 4$\,T. ESR spectra measured in fields up to 15\,T are analyzed considering possible effects of demagnetizing fields, single-ion anisotropy and spin-spin correlations. While the demagnetization effects due to a large sample magnetization in high fields and its shape anisotropy become relevant at low temperatures, the broadening of the ESR line commencing already at $T\lesssim 30$\,K may indicate the onset of the spin-spin correlations far above the ordering temperature due to the geometrical spin frustration in this compound.

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arXiv2020

Coupling of lattice, spin and intra-configurational excitations of Eu3+ in Eu2ZnIrO6

In Eu2ZnIrO6, effectively two atoms are active i.e. Ir is magnetically active, which results in complex magnetic ordering within the Ir sublattice at low temperature. On the other hand, although Eu is a van-vleck paramagnet, it is active in the electronic channels involving 4f 6 crystal-field split levels. Phonons, quanta of lattice vibration, involving vibration of atoms in the unit cell, are intimately coupled with both magnetic and electronic degrees of freedom (DoF). Here, we report a comprehensive study focusing on the phonons as well as intra-configurational excitations in double-perovskite Eu2ZnIrO6. Our studies reveal strong coupling of phonons with the underlying magnetic DoF reflected in the renormalization of the phonon self-energy parameters well above the spin-solid phase (TN ~ 12 K) till temperature as high as ~ 3TN, evidences broken spin rotational symmetry deep into the paramagnetic phase. In particular, all the observed first-order phonon modes show softening of varying degree below ~3TN, and low-frequency phonons become sharper, while the high-frequency phonons show broadening attributed to the additional available magnetic damping channels. We also observed a large number of high-energy modes, 39 in total, attributed to the electronic transitions between 4f-levels of the rare-earth Eu3+ ion and these modes shows anomalous temperature evolution as well as mixing of the crystal-field split levels attributed to the strong coupling of electronic and lattice DoF.

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arXiv2020

Charge transfer energy in iridates: a hard x-ray photoelectron spectroscopy study

We have investigated the electronic structure of iridates in the double perovskite crystal structure containing either Ir$^{4+}$ or Ir$^{5+}$ using hard x-ray photoelectron spectroscopy. The experimental valence band spectra can be well reproduced using tight binding calculations including only the Ir $5d$, O $2p$ and O $2s$ orbitals with parameters based on the downfolding of the density-functional band structure results. We found that regardless of the A and B cations, the A$_2$BIrO$_6$ iridates have essentially zero O $2p$ to Ir $5d$ charge transfer energies. Hence, double perovskite iridates turn out to be extremely covalent systems with the consequence being that the magnetic exchange interactions become very long-ranged, thereby hampering the materialization of the long-sought Kitaev physics. Nevertheless, it still would be possible to realize a spin-liquid system using the iridates with a proper tuning of the various competing exchange interactions.

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arXiv2020

Kramer doublets, phonons, crystal-field excitations and their coupling in Nd2ZnIrO6

We report comprehensive Raman-scattering measurements on a single crystal of double-perovskite Nd2ZnIrO6 in temperature range of 4-330 K, and spanning a broad spectral range from 20 cm-1 to 5500 cm-1. The paper focuses on lattice vibrations and electronic transitions involving Kramers doublets of the rare-earth Nd3+ ion with local C1 site symmetry. Temperature evolution of these quasi-particle excitations have allowed us to ascertain the intricate coupling between lattice and electronic degrees of freedom in Nd2ZnIrO6. Strong coupling between phonons and crystal-field excitation is observed via renormalization of the self-energy parameter of the phonons i.e. peak frequency and line-width. The phonon frequency shows abrupt hardening and line-width narrowing below ~ 100 K for the majority of the observed first-order phonons. We observed splitting of the lowest Kramers doublets of ground state (4I9/2) multiplets i.e. lifting of the Kramers degeneracy, prominently at low-temperature (below ~ 100 K), attributed to the Nd-Nd/Ir exchange interactions and the intricate coupling with the lattice degrees of freedom. The observed splitting is of the order of ~ 2-3 meV and is consistent with the estimated value. We also observed a large number of high-energy modes, 46 in total, attributed to the intra-configurational transitions between 4f3 levels of Nd3+ coupled to the phonons reflected in their anomalous temperature evolution.

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arXiv2019

Kitaev Magnetism and Fractionalized Excitations in Double Perovskite Sm2ZnIrO6

The quest for Kitaev spin liquids in particular three dimensional solids is long sought goal in condensed matter physics, as these states may give rise to exotic new types of quasi-particle excitations carrying fractional quantum numbers namely Majorana Fermionic excitations. Here we report the experimental signature of this characteristic feature of the Kitaev spin liquid via Raman measurements. Sm2ZnIrO6 is a strongly spin orbit coupled Mott insulator, where Jeff = 1/2 controls the physics, which provide striking evidence for this characteristic feature of the Kitaev spin liquid. As the temperature is lowered, we find that the spin excitations form a continuum in contrast to the conventional sharp modes expected in ordered antiferromagnets. Our observation of a broad magnetic continuum and anomalous renormalization of the phonon self-energy parameters evidence the existence of Majorana fermions from spin fractionalization in double perovskites structure as theoretically conjectured in a Kitaev-Heisenberg geometrically frustrated double perovskite systems.

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arXiv2019

Complex magnetic properties in the mixed 4f -5d double perovskite iridates Ln2ZnIrO6 (Ln = Nd, Sm, Eu & Gd)

In this work, we report on the synthesis and magnetic properties of a series of double perovskites Ln$_2$ZnIrO$_6$ with Ln = Nd, Sm, Eu & Gd. These compounds present new examples of the rare case of double perovskites (general formula A$_2$BB'O$_6$) with a magnetic 4f -ion on the A-site in combination with the strongly spin-orbit coupled 5d-transition metal ion Ir$^{4+}$ on the B-sublattice. We discuss the impact of different rare earths on the macroscopic magnetic properties. Gd$_2$ZnIrO$_6$ and Eu$_2$ZnIrO$_6$ show weak canted antiferromagnetic order below T$_N$ = 23 K and T$_N$ = 12 K, respectively. Sm$_2$ZnIrO$_6$ orders antiferromagnetically at T$_N$ = 13 K. Nd$_2$ZnIrO$_6$ exhibits complex magnetic properties with strong field dependence ranging from a two-step behavior at H = 0.01 T to an antiferromagnetic ground state at intermediate external fields and a spin-flop phase at H$\geq$4 T, which suggests complex interplay between Nd$^{3+}$ and Ir$^{4+}$ . To further shed light on this magnetic interaction, the magnetic structure of Nd$_2$ZnIrO$_6$'s ground state is examined via neutron powder diffraction.

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arXiv2019

Disordered magnetism in the double perovskite LaCaScIrO6 with a distorted fcc lattice of Ir4+

The synthesis and characterization of the previously unknown material LaCaScIrO$_6$ is reported. LaCaScIrO$_6$ presents a new example of the rare case of a double perovskite with the strongly spin-orbit coupled 5\textit{d}-ion Ir$^{4+}$ as its only magnetic species, forming a monoclinically distorted version of the frustrated fcc lattice. Magnetization measurements show a weak anomaly at 8~K. The Curie-Weiss temperature Θ$_{CW}$ and effective magnetic moment μ$_{eff}$ of LaCaScIrO$_6$ are in close proximity to the related compound La$_2$MgIrO$_6$ but differ from La$_2$ZnIrO$_6$. This suggests that the nature of the non-magnetic \textit{B}-ion, namely its \textit{d}-orbital filling has a strong influence on the magnetic properties. The \textit{d}$^{0}$-ions Sc$^{3+}$ and Mg$^{2+}$ allow a different kind of exchange interactions within the Ir-sublattice than the \textit{d}$^{10}$-ion Zn$^{2+}$. In addition, ac-susceptibility data does not show signs of a spin-glass ground state. The nature of the magnetism in LaCaScIrO$_6$ has been further elucidated using muon spin relaxation measurements. The zero-field measurements reveal the absence of well defined oscillations down to 1.6\,K, while temperature dependent $μ$SR studies show an anomaly at 8\,K. Overall, our results suggest the presence of two different magnetic environments or domains in LaCaScIrO$_6$, which is likely related to its structural features.

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arXiv2019

Strong Spin Resonance Mode associated with suppression of soft magnetic ordering in Hole-doped Ba1-xNaxFe2As2

Spin-resonance modes (SRM) are taken as evidence for magnetically driven pairing in Fe-based superconductors, but their character remains poorly understood. The broadness, the splitting and the spin-space anisotropies of SRMs contrast with the mostly accepted interpretation as spin excitons. We study hole-doped Ba$_{1-x}$Na$_x$Fe$_2$As$_2$ that displays a spin reorientation transition. This reorientation has little impact on the overall appearance of the resonance excitations with a high-energy isotropic and a low-energy anisotropic mode. However, the strength of the anisotropic low-energy mode sharply peaks at the highest doping that still exhibits magnetic ordering resulting in the strongest SRM observed in any Fe-based superconductor so far. This remarkably strong SRM is accompanied by a loss of about half of the magnetic Bragg intensity upon entering the SC phase. Anisotropic SRMs thus can allow the system to compensate for the loss of exchange energy arising from the reduced antiferromagnetic correlations within the SC state.

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arXiv2019

Correlated Paramagnetism and Interplay of Magnetic and Phononic Degrees of Freedom in 3d-5d Coupled La2CuIrO6

Conventional Paramagnetism - a state with finite magnetic moment per ion sans long range magnetic ordering, but with lowering temperature the moment on each ion picks up a particular direction, breaking rotational symmetry, and results into long range magnetic ordering. However, in systems with competing multiple degrees of freedom this conventional notion may easily breaks and results into short range correlation much above the global magnetic transition temperature. La2CuIrO6 with complex interplay of spins (s =1/2) on Cu site and pseudo-spin (j =1/2) on Ir site owing to strong spin-orbit coupling provides fertile ground to observe such correlated phenomena. By a comprehensive temperature dependent Raman study, we have shown the presence of such a correlated paramagnetic state in La2CuIrO6 much above the long range magnetic ordering temperature (TN ). Our observation of strong interactions of phonons, associated with Cu/Ir octahedra, with underlying magnetic degrees of freedom mirrored in the observed Fano asymmetry, which remarkably persists as high as ~ 3.5TN clearly signals the existence of correlated paramagnetism hence broken rotational symmetry. Our detailed analysis also reveals anomalous changes in the self-energy parameters of the phonon modes, i.e. mode frequencies and linewidth, below TN, providing a useful gauge for monitoring the strong coupling between phonons and magnetic degrees of freedom.

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arXiv2019

Evidence of hot and cold spots on the Fermi surface of LiFeAs

Angle-resolved photoemission spectroscopy (ARPES) is used to study the energy and momentum dependence of the inelastic scattering rates and the mass renormalization of charge carriers in LiFeAs at several high symmetry points in the Brillouin zone. A strong and linear-in-energy scattering rate is observed for sections of the Fermi surface having predominantly Fe $3d_{xy/yz}$ orbital character on the inner hole and on electron pockets. We assign them to hot spots with marginal Fermi liquid character inducing high antiferromagnetic and pairing susceptibilities. The outer hole pocket, with Fe $3d_{xy}$ orbital character, has a reduced but still linear in energy scattering rate. Finally, we assign sections on the middle hole pockets with Fe $3d_{xz,yz}$ orbital character and on the electron pockets with Fe $3d_{xy}$ orbital character to cold spots because there we observe a quadratic-in-energy scattering rate with Fermi-liquid behavior. These cold spots prevail the transport properties. Our results indicate a strong $\it{momentum}$ dependence of the scattering rates. We also have indications that the scattering rates in correlated systems are fundamentally different from those in non-correlated materials because in the former the Pauli principle is not operative. We compare our results for the scattering rates with combined density functional plus dynamical mean-field theory calculations. The work provides a generic microscopic understanding of macroscopic properties of multiorbital unconventional superconductors.

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arXiv2019

Backflow Effect on Spin Diffusion Near Ferromagnet-Superconductor Interface

The behavior of spin propagation in metals in various measurement schemes is shown to be qualitatively different than a simple exponential decay - due to the backflow effect on spin diffusion in the presence of interfaces. To probe this effect we utilize the spin sensitivity of an Andreev contact between gold films of variable thickness deposited on top of a spin injector, Co$_{2}$Mn$_{0.5}$Fe$_{0.5}$Si, with the spin polarization of approximately 45\%, and Nb superconducting tip. While the results are consistent with gradually decaying spin polarization as the film thickness increases, the spin diffusion length in Au found to be 285 nm, is more than two times larger that one would have obtained without taking the backflow effect into account.

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arXiv2018

Superconductivity-induced nematicity

The role of nematic order for the mechanism of high-temperature superconductivity is highly debated. In most iron-based superconductors (IBS) the tetragonal symmetry is broken already in the normal state, resulting in orthorhombic lattice distortions, static stripe magnetic order, or both. Superconductivity then emerges, at least at weak doping, already from the state with broken $C_4$ rotational symmetry. One of the few stoichiometric IBS, lithium iron arsenide, superconducts below 18 K and does not display either structural or magnetic transition in the normal state. Here we demonstrate, using angle-resolved photoemission, that even superconducting state in LiFeAs is also a nematic one. We observe spontaneous breaking of the rotational symmetry in the gap amplitude on all Fermi surfaces, as well as unidirectional distortion of the Fermi pockets. Remarkably, these deformations disappear above superconducting $T_c$. Our results demonstrate the realization of a novel phenomenon of superconductivity-induced nematicity in IBS, emphasizing the intimate relation between them. We suggest a theoretical explanation based on the emergence of a secondary instability inside the superconducting state, which leads to the nematic order and s-d mixing in the gap function.

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arXiv2018

Orbiton-Phonon coupling in Ir5+(5d4) double perovskite Ba2YIrO6

Ba2YIrO6, a Mott insulator, with four valence electrons in Ir5+ d-shell (5d4) is supposed to be non-magnetic, with Jeff = 0, within the atomic physics picture. However, recent suggestions of non-zero magnetism have raised some fundamental questions about its origin. Focussing on the phonon dynamics, probed via Raman scattering, as a function of temperature and different incident photon energies, as an external perturbation. Our studies reveal strong renormalization of the phonon self-energy parameters and integrated intensity for first-order modes, especially redshift of the few first-order modes with decreasing temperature and anomalous softening of modes associated with IrO6 octahedra, as well as high energy Raman bands attributed to the strong anharmonic phonons and coupling with orbital excitations. The distinct renormalization of second-order Raman bands with respect to their first-order counterpart suggest that higher energy Raman bands have significant contribution from orbital excitations. Our observation indicates that strong anharmonic phonons coupled with electronic/orbital degrees of freedom provides a knob for tuning the conventional electronic levels for 5d-orbitals, and this may give rise to non-zero magnetism as postulated in recent theoretical calculations with rich magnetic phases.

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