arXiv subjects

Q. Stahl

Publications and source records attributed to Q. Stahl.

5 recordsLinked to original sources

arXiv2021

Local mechanism of valence bond formation in IrTe$_2$

Doped IrTe$_2$ is considered a platform for topological superconductivity and therefore receives currently a lot of interest. In addition, the superconductivity in these materials exists in close vicinity of electronic valence bond crystals, which we explore here by means of high-pressure single crystal x-ray diffraction in combination with density functional theory. Our crystallographic refinements provide unprecedented information about the structural evolution as a function of applied pressure up to 42 GPa. Using this structural information for density functional theory calculations, we show that the valence bond formation in IrTe$_2$ is driven by changes in the Ir-Te-Ir bond angle. When a valence bond is formed, this bond angle decreases drastically, leading to a stabilization of local valence bonds large enough to push them out of a broad band continuum. This unusual local mechanism of valence bond formation in an itinerant material provides a natural explanation for the different valence bond orders in IrTe$_2$, implies a very strong electron-phonon coupling and is most likely relevant for the superconductivity as well.

cond-mat.str-el↗

arXiv2021

Temperature-driven reorganization of electronic order in CsV$_3$Sb$_5$

We report a temperature dependent x-ray diffraction study of the electronic ordering instabilities in the kagome material CsV$_3$Sb$_5$. Our measurements between 10 K and 120 K reveal an unexpected reorganization of the three-dimensional electronic order in the bulk of CsV$_3$Sb$_5$: At 10 K, a 2x2x2 superstructure modulation due to electronic order is observed, which upon warming changes to a 2x2x4 superstructure at 60 K. The electronic order-order transition discovered here involves a change in the stacking of electronically ordered V$_3$Sb$_5$-layers and agrees perfectly with anomalies previously observed in magneto-transport measurements. This implies that the temperature dependent three-dimensional electronic order plays a decisive role for transport properties, which are related to the Berry-curvature of the V-bands. Our data also show that the bulk electronic order in CsV$_3$Sb$_5$ breaks the 6-fold rotational symmetry of the underlying $P6/mmm$ lattice structure.

cond-mat.str-el↗

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.

cond-mat.supr-con↗

arXiv2020

The incommensurate magnet iron monophosphide FeP: Crystal growth and characterization

We report an optimized chemical vapor transport method, which allows growing FeP single crystals up to 500 mg in mass and 80 $mm^{3}$ in volume. The high quality of the crystals obtained by this method was confirmed by means of EDX, high-resolution TEM, low-temperature single crystal XRD and neutron diffraction experiments. We investigated the transport and magnetic properties of the single crystals and calculated the electronic band structure of FeP. We show both theoretically and experimentally, that the ground state of FeP is metallic. The examination of the magnetic data reveals antiferromagnetic order below T$_{N}$ =119 K while transport remains metallic in both the paramagnetic and the antiferromagnetic phase. The analysis of the neutron diffraction data shows an incommensurate magnetic structure with the propagation vector Q=(0, 0, $\pmδ$), where $δ$ $\sim$ 0.2. For the full understanding of the magnetic state, further experiments are needed. The successful growth of large high-quality single crystals opens the opportunity for further investigations of itinerant magnets with incommensurate spin structures using a wide range of experimental tools.

cond-mat.mtrl-sci↗

arXiv2018

Pressure-induced dimerization and valence bond crystal formation in the Kitaev-Heisenberg magnet alpha-RuCl3

Magnetization and high-resolution x-ray diffraction measurements of the Kitaev-Heisenberg material alpha-RuCl3 reveal a pressure-induced crystallographic and magnetic phase transition at a hydrostatic pressure of p=0.2 GPa. This structural transition into a triclinic phase is characterized by a very strong dimerization of the Ru-Ru bonds, accompanied by a collapse of the magnetic susceptibility. Ab initio quantum-chemistry calculations disclose a pressure-induced enhancement of the direct 4d-4d bonding on particular Ru-Ru links, causing a sharp increase of the antiferromagnetic exchange interactions. These combined experimental and computational data show that the Kitaev spin liquid phase in alpha-RuCl3 strongly competes with the crystallization of spin singlets into a valence bond solid.

cond-mat.str-el↗