arXiv subjects

A. C. Komarek

Publications and source records attributed to A. C. Komarek.

At least 19 recordsLinked to original sources

arXiv2026

Synthesis and structural validation of close-to-stoichiometric NiTe$_2$ single crystals

We report the synthesis of stoichiometric NiTe$_{2}$ single crystals via chemical vapor transport together with precise structural characterization. A combined analysis using powder and single crystal X-ray diffraction (XRD) was performed to determine lattice parameters and structural details. High-resolution single crystal XRD reveals no evidence of interstitial nickel, confirming a close-to-stoichiometric composition. This work establishes a reliable benchmark for the crystal structure of stoichiometric NiTe$_{2}$, offering a reference for future studies on its physical properties.

cond-mat.mtrl-sci↗

arXiv2025

KOMPASS: the new cold neutron triple-axis-spectrometer specialized for polarization analysis

KOMPASS is a polarized triple-axis cold neutron spectrometer recently installed at the FRM II neutron source. The instrument is designed to operate exclusively with polarized neutrons and is specialized in longitudinal polarization analysis using Helmholtz coils and spherical zero-field neutron polarimetry using a Cryopad device. The advanced guide system polarizes and focuses flexibly in the scattering plane. A first, fixed parabolic focusing part contains a series of three polarizing supermirror V-cavities that produce a highly polarized beam. By exchanging straight and parabolic front-end guide sections, the resolution of the instrument can be optimized to meet experimental requirements. Large, double-focusing monochromator and analyzer units with pyrolytic graphite crystals enable efficient and adaptive energy selection, and a compact supermirror cavity analyzes the final neutron polarization. Alternatively, or in combination with this cavity, a Heusler polarization analyzer can be used. KOMPASS offers full- and half-polarized configurations with or without secondary energy analysis and provides a wide range of polarization options. Therefore, KOMPASS is well suited for various studies of static and dynamic magnetic correlations with energy transfers on the neutron energy loss side up to ~12 meV.

physics.ins-det↗

arXiv2023

Spin-wave dispersion and magnon chirality in multiferroic TbMnO3

Inelastic neutron scattering experiments combining time-of-flight and polarized techniques yield a comprehensive picture of the magnon dispersion in multiferroic TbMnO3 including the dynamic chirality. Taking into account only Mn3+ moments, spin-wave calculations including nearest-neighbor interactions, frustrating next-nearest neighbor exchange as well as single-ion anisotropy and antisymmetric terms describe the energy dispersion and the distribution of neutron scattering intensity in the multiferroic state very well. Polarized neutron scattering reveals strong dynamic chirality of both signs that may be controlled by external electric fields in the multiferroic phase. Also above the onset of long-range multiferroic order in zero electric field, a small inelastic chiral component can be inverted by an electric field. The microscopic spin-wave calculations fully explain also the dynamic chirality of magnetic excitations, which is imprinted by the static chirality of the multiferroic phase. The ordering of Tb3+ moments at lower temperature reduces the broadening of magnons but also renders the magnon dispersion more complex.

cond-mat.str-el↗

arXiv2021

CaCu$_3$Ru$_4$O$_{12}$: a high Kondo-temperature transition metal oxide

We present a comprehensive study of CaCu$_3$Ru$_4$O$_{12}$ using bulk sensitive hard and soft x-ray spectroscopy combined with local-density approximation (LDA) + dynamical mean-field theory (DMFT) calculations. Correlation effects on both the Cu and Ru ions can be observed. From the Cu $2p$ core level spectra we deduce the presence of magnetic Cu$^{2+}$ ions hybridized with a reservoir of itinerant electrons. The strong photon energy dependence of the valence band allows us to disentangle the Ru, Cu, and O contributions and thus to optimize the DMFT calculations. The calculated spin and charge susceptibilities show that the transition metal oxide CaCu$_3$Ru$_4$O$_{12}$ must be classified as a Kondo system and that the Kondo temperature is in the range of 500-1000 K.

cond-mat.str-el↗

arXiv2021

Quantum fluctuations of charge order induce phonon softening in a superconducting cuprate

Quantum phase transitions play an important role in shaping the phase diagram of high-temperature cuprate superconductors. These cuprates possess intertwined orders which interact strongly with superconductivity. However, the evidence for the quantum critical point associated with the charge order in the superconducting phase remains elusive. Here we show the short-range charge orders and the spectral signature of the quantum fluctuations in La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) near the optimal doping using high-resolution resonant inelastic X-ray scattering. On performing calculations through a diagrammatic framework, we discovered that the charge correlations significantly soften several branches of phonons. These results elucidate the role of charge order in the LSCO compound, providing evidence for quantum critical scaling and discommensurations associated with charge order.

cond-mat.supr-con↗

arXiv2021

Emergent 1/3 magnetization plateaus in pyroxene CoGeO$_3$

Despite the absence of an apparent triangular pattern in the crystal structure, we observe unusually well pronounced 1/3 magnetization plateaus in the quasi one-dimensional Ising spin chain compound CoGeO$_3$ which belongs to the class of pyroxene minerals. We succeeded in uncovering the detailed microscopic spin structure of the 1/3 magnetization plateau phase by means of neutron diffraction. We observed changes of the initial antiferromagnetic zero-field spin structure that are resembling a regular formation of antiferromagnetic "domain wall boundaries", resulting in a kind of modulated magnetic structure with 1/3-integer propagation vector. The net ferromagnetic moment emerges at these "domain walls" whereas two third of all antiferromagnetic chain alignments can be still preserved. We propose a microscopic model on the basis of an anisotropic frustrated square lattice to explain the observations.

cond-mat.str-el↗

arXiv2021

Single crystal growth and physical properties of pyroxene CoGeO$_3$

We report on the synthesis and physical properties of cm-sized CoGeO$_3$ single crystals grown in a high pressure mirror furnace at pressures of 80~bar. Direction dependent magnetic susceptibility measurements on our single crystals reveal highly anisotropic magnetic properties that we attribute to the impact of strong single ion anisotropy appearing in this system with T$_N$~$\sim$~33.5~K. Furthermore, we observe effective magnetic moments that are exceeding the spin only values of the Co ions which reveals the presence of sizable orbital moments in CoGeO$_3$.

cond-mat.mtrl-sci↗

arXiv2021

Distinct magnetic ground states of $R_2$ZnIrO$_6$ ($R$ = La and Nd) determined by neutron powder diffraction

Double perovskite iridates $A_2$ZnIrO$_6$ ($A$ = alkaline or lanthanide) show complex magnetic behaviors ranging from weak ferromagnetism to successive antiferromagnetic transitions. Here we report the static ($dc$) and dynamic ($ac$) magnetic susceptibility, and neutron powder diffraction measurements for $A$ = La and Nd compounds to elucidate the magnetic ground state. Below 10~K, the $A$ = La compound is best described as canted iridium moments in an antiferromagnet arrangement with a propagation vector \textbf{k} = 0 and a net ferromagnetic component along the $c$-axis. On the other hand, Nd$_2$ZnIrO$_6$ is described well as an antiferromagnet with a propagation vector \textbf{k} = (1/2~1/2~0) below $T_\mathrm{N} \sim$ 17 K. Scattering from both the Nd and Ir magnetic sublattices were required to describe the data and both were found to lie almost completely within the $ab$-plane. $Dc$ susceptibility revealed a bifurcation between the zero-field-cooled and field-cooled curves below $\sim$13 K in Nd$_2$ZnIrO$_6$. A glassy state was ruled out by $ac$ susceptibility but detailed magnetic isotherms revealed the opening of the loop below 13~K. These results suggest a delicate balance exists between the Dzyaloshinskii-Moriya, crystal field schemes, and $d$-$f$ interaction in this series of compounds.

cond-mat.str-el↗

arXiv2020

Large response of charge stripes to uniaxial stress in $\textrm{La}_{1.475}\textrm{Nd}_{0.4}\textrm{Sr}_{0.125}\textrm{Cu}\textrm{O}_{4}$

The La-based '214' cuprates host several symmetry breaking phases including superconductivity, charge and spin order in the form of stripes, and a structural othorhombic-to-tetragonal phase transition. Therefore, these materials are an ideal system to study the effects of uniaxial stress onto the various correlations that pervade the cuprate phase diagram. We report resonant x-ray scattering experiments on $\textrm{La}_{1.475}\textrm{Nd}_{0.4}\textrm{Sr}_{0.125}\textrm{Cu}\textrm{O}_{4}$ (LNSCO-125) that reveal a significant response of charge stripes to uniaxial tensile-stress of $\sim$ 0.1 GPa. These effects include a reduction of the onset temperature of stripes by $\sim$ 50 K, a 29 K reduction of the low-temperature orthorhombic-to-tetragonal transition, competition between charge order and superconductivity, and a preference for stripes to form along the direction of applied stress. Altogether, we observe a dramatic response of the electronic properties of LNSCO-125 to a modest amount of uniaxial stress.

cond-mat.str-el↗

arXiv2020

Charge disproportionation and nano phase separation in $R$SrNiO$_4$

We have successfully grown centimeter-sized layered $R$SrNiO$_4$ single crystals under high oxygen pressures of 120 bar by the floating zone technique. This enabled us to perform neutron scattering experiments where we observe close to quarter-integer magnetic peaks below $\sim$77 K that are accompanied by steep upwards dispersing spin excitations. Within the high-frequency Ni-O bond stretching phonon dispersion, a softening at the propagation vector for a checkerboard modulation can be observed. Together with our spin wave simulations these observations reveal that this Ni$^{3+}$ system exhibits charge disproportionation with charges segregating into a checkerboard pattern within a nano phase separation scenario rather than showing a Jahn-Teller effect.

cond-mat.str-el↗

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.

cond-mat.str-el↗

arXiv2019

Nature of the magnetism of iridium in the double perovskite Sr2CoIrO6

We report on our investigation on the magnetism of the iridate double perovskite Sr$_2$CoIrO$_6$, a nominally Ir$^{5+}$ Van Vleck $J_{eff}=0$ system. Using x-ray absorption (XAS) and x-ray magnetic circular dichroism (XMCD) spectroscopy at the Ir-$L_{2,3}$ edges, we found a nearly zero orbital contribution to the magnetic moment and thus an apparent breakdown of the $J_{eff}=0$ ground state. By carrying out also XAS and XMCD experiments at the Co-$L_{2,3}$ edges and by performing detailed full atomic multiplet calculations to simulate all spectra, we discovered that the compound consists of about 90% Ir$^{5+}$ ($J_{eff}=0$) and Co$^{3+}$ ($S=2$) and 10% Ir$^{6+}$ ($S=3/2$) and Co$^{2+}$ ($S=3/2$). The magnetic signal of this minority Ir$^{6+}$ component is almost equally strong as that of the main Ir$^{5+}$ component. We infer that there is a competition between the Ir$^{5+}$-Co$^{3+}$ and the Ir$^{6+}$-Co$^{2+}$ configurations in this stoichiometric compound.

cond-mat.str-el↗

arXiv2018

Temperature dependent percolation mechanism for conductivity in Y$_{0.63}$Ca$_{0.37}$TiO$_3$ revealed by a microstructure study

We have performed optical microscopy, micro-photoelectron spectroscopy, and micro-Raman scattering measurements on Y$_{0.63}$Ca$_{0.37}$TiO$_3$ single crystals in order to clarify the interplay between the microstructure and the temperature dependent electronic transport mechanisms in this material. Optical microscopy observations reveal dark and bright domain patterns on the surface with length scales of the order of several to a hundred micrometers showing a pronounced temperature dependent evolution. Spatially resolved photoelectron spectroscopy measurements show the different electronic character of these domains. Using micro-Raman spectroscopy, we observe a distinct temperature dependence of the crystal structure of these domains. On the basis of these findings the different domains are assigned to insulating and metallic volume fractions, respectively. By decreasing the temperature, the volume fraction of the conducting domains increases, hence allowing the electrons to percolate through the sample at temperatures lower than $\sim$150 K.

cond-mat.str-el↗

arXiv2018

Site selective spin and orbital excitations in Fe3O4

$Fe_3O_4$ is a mixed-valence strongly correlated transition metal oxide which displays the intriguing metal to insulator Verwey transition. Here we investigate the electronic and magnetic structure of $Fe_3O_4$ by a unique combination of high-resolution Fe 2p3d resonant inelastic scattering magnetic circular (RIXS-MCD) and magnetic linear (RIXS-MLD) dichroism. We show that by coupling the site selectivity of RIXS with the magnetic selectivity imposed by the incident polarization handedness, we can unambiguously identify spin-flip excitations and quantify the exchange interaction of the different sublattices. Furthermore, our RIXS-MLD measurements show spin-orbital excitations that exhibit strong polarization and magnetic field dependence. Guided by theoretical simulations, we reveal that the angular dependence arises from a strong interplay between trigonal crystal-field, magnetic exchange and spin-orbit interaction at the nominal $Fe^{2+}$ sites. Our results highlight the capabilities of RIXS magnetic dichroism studies to investigate the ground state of complex systems where in-equivalent sites and bonds are simultaneously present.

cond-mat.str-el↗

arXiv2018

Direct observation of magnetic domain evolution in the vicinity of Verwey transition in Fe3O4 thin films

We report a direct observation of magnetic domain evolution near the Verwey transition (TV) in Fe3O4 films. We found the stripe domains in the Fe3O4/Mg2TiO4 film while the irregular domains in the Fe3O4/MgO film and the similar characters of magnetic domains in the vicinity of TV for both samples: the bigger domain size and the higher contrast of the phase signal below TV and the more disordered domain images at TV. Remarkably, the magnetic behaviors can be well understood and the domain-wall energy and the demagnetizing energy can be calculated from the magnetic domains near TV in the Fe3O4/Mg2TiO4 film. Our work presents a demonstration of the low temperature magnetic domains and gives a new perspective to understand the Verwey transition in Fe3O4 thin films.

cond-mat.mtrl-sci↗

arXiv2018

Multiferroicity in the frustrated spinel cuprate GeCu$_2$O$_4$

Different from other magnetically frustrated spinel systems, GeCu$_{2}$O$_{4}$ is a strongly tetragonal distorted spinel cuprate in which edge-sharing CuO$_{2}$ ribbons are running along alternating directions perpendicular to the $c$-axis. Here, GeCu$_{2}$O$_{4}$ samples of high quality were prepared via high pressure synthesis (at 4 GPa) and the corresponding magnetic and dielectric properties were investigated. For the first time, we observed a ferroelectric polarization emerging at T$_{N}$ $\sim$ 33~K. Although the ferroelectric polarization is weak in GeCu$_{2}$O$_{4}$ ($P$ $\sim$ 0.2$μ$C/m$^{2}$), the existence of spin-induced multiferroicity provides a strong constraint on the possible ground state magnetic structures and/or the corresponding theoretical models of multiferroicity for GeCu$_{2}$O$_{4}$.

cond-mat.str-el↗

arXiv2018

Antiferromagnetic correlations in the metallic strongly correlated transition metal oxide LaNiO$_3$

The material class of rare earth nickelates with high Ni$^{3+}$ oxidation state is generating continued interest due to the occurrence of a metal-insulator transition with charge order and the appearance of non-collinear magnetic phases within this insulating regime. The recent theoretical prediction for superconductivity in LaNiO$_3$ thin films has also triggered intensive research efforts. LaNiO$_3$ seems to be the only rare earth nickelate that stays metallic and paramagnetic down to lowest temperatures. So far, centimetre-sized impurity-free single crystal growth has not been reported for the rare earth nickelates material class since elevated oxygen pressures are required for their synthesis. Here, we report on the successful growth of centimetre-sized LaNiO$_3$ single crystals by the floating zone technique at oxygen pressures of up to 150 bar. Our crystals are essentially free from Ni$^{2+}$ impurities and exhibit metallic properties together with an unexpected but clear antiferromagnetic transition.

cond-mat.str-el↗

arXiv2017

The $c$-axis dimer and its electronic break-up: the insulator-to-metal transition in Ti$_2$O$_3$

We report on our investigation of the electronic structure of Ti$_2$O$_3$ using (hard) x-ray photoelectron and soft x-ray absorption spectroscopy. From the distinct satellite structures in the spectra we have been able to establish unambiguously that the Ti-Ti $c$-axis dimer in the corundum crystal structure is electronically present and forms an $a_{1g}a_{1g}$ molecular singlet in the low temperature insulating phase. Upon heating we observed a considerable spectral weight transfer to lower energies with orbital reconstruction. The insulator-metal transition may be viewed as a transition from a solid of isolated Ti-Ti molecules into a solid of electronically partially broken dimers where the Ti ions acquire additional hopping in the $a$-$b$ plane via the $e_g^π$ channel, the opening of which requires the consideration of the multiplet structure of the on-site Coulomb interaction.

cond-mat.str-el↗