arXiv subjects

M. Hermanns

Publications and source records attributed to M. Hermanns.

At least 19 recordsLinked to original sources

arXiv2026

Between Mott and cluster Mott: spin-orbit entangled dimer singlets in Ba$_3$CeRu$_2$O$_9$

The hexagonal 4d ruthenates Ba3MRu2O9 host structural dimers and exhibit a delicate balance of competing interactions. Hund's coupling, trigonal crystal-field splitting, and hopping for $a_{1g}$ and $e_g^\pi$ orbitals all fall within a narrow energy window. This yields a series of possible ground states, ranging from the localized Mott limit with (anti-) ferromagnetic exchange coupling via orbital-selective behavior to the cluster Mott limit with quasimolecular orbitals that are delocalized over the two dimer sites. Using resonant inelastic x-ray scattering, we show that Ba3CeRu2O9 with four holes per dimer resides in the intricate crossover regime between the localized Mott case and the quasimolecular limit. The spin-orbit entangled singlet ground state predominantly shows a Mott-like charge distribution with two holes per Ru site. At the same time, spin and orbital occupation contradict an exchange-based Mott scenario but agree with a cluster Mott approach. A quasimolecular trial wave function describes more than 70% of the ground state. In this crossover regime, small changes of, e.g., the crystal field may strongly affect the character of electronic states.

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arXiv2024

Quasimolecular electronic structure of the trimer iridate Ba$_4$NbIr$_3$O$_{12}$

The insulating mixed-valent Ir$^{+3.66}$ compound Ba$_4$NbIr$_3$O$_{12}$ hosts two holes per Ir$_3$O$_{12}$ trimer unit. We address the electronic structure via resonant inelastic x-ray scattering (RIXS) at the Ir $L_3$ edge and exact diagonalization. The holes occupy quasimolecular orbitals that are delocalized over a trimer. This gives rise to a rich intra-$t_{2g}$ excitation spectrum that extends from 0.5 eV to energies larger than 2 eV. Furthermore, it yields a strong modulation of the RIXS intensity as a function of the transferred momentum q. A clear fingerprint of the quasimolecular trimer character is the observation of two modulation periods, $2\pi/d$ and $2\pi/2d$, where d and 2d denote the intratrimer Ir-Ir distances. We discuss how the specific modulation reflects the character of the wavefunction of an excited state. Our quantitative analysis shows that spin-orbit coupling $\lambda$ of about 0.4 eV is decisive for the character of the electronic states, despite a large hopping $t_{a_{1g}}$ of about 0.8 eV. The ground state of a single trimer is described very well by both holes occupying the bonding j=1/2 orbital, forming a vanishing quasimolecular moment with J=0.

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arXiv2023

Spin-orbit coupling in a half-filled $t_{2g}$ shell: the case of $5d^3$ K$_2$ReCl$_6$

The half-filled $t_{2g}$ shell of the $t_{2g}^3$ configuration usually, in LS coupling, hosts a S = 3/2 ground state with quenched orbital moment. This state is not Jahn-Teller active. Sufficiently large spin-orbit coupling $\zeta$ has been predicted to change this picture by mixing in orbital moment, giving rise to a sizable Jahn-Teller distortion. In $5d^3$ K$_2$ReCl$_6$ we study the electronic excitations using resonant inelastic x-ray scattering (RIXS) and optical spectroscopy. We observe on-site intra-$t_{2g}$ excitations below 2 eV and corresponding overtones with two intra-$t_{2g}$ excitations on adjacent sites, the Mott gap at 2.7 eV, $t_{2g}$-to-$e_g$ excitations above 3 eV, and charge-transfer excitations at still higher energy. The intra-$t_{2g}$ excitation energies are a sensitive measure of $\zeta$ and Hund's coupling $J_H$. The sizable value of $\zeta \approx$ 0.29 eV places K$_2$ReCl$_6$ into the intermediate coupling regime, but $\zeta/J_H \approx 0.6$ is not sufficiently large to drive a pronounced Jahn-Teller effect. We discuss the ground state wavefunction in a Kanamori picture and find that the S = 3/2 multiplet still carries about 97 % of the weight. However, the finite admixture of orbital moment allows for subtle effects. We discuss small temperature-induced changes of the optical data and find evidence for a lowering of the ground state by about 3 meV below the structural phase transitions.

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arXiv2023

Quasimolecular $J_{\rm tet}$=3/2 moments in the cluster Mott insulator GaTa$_4$Se$_8$

Quasimolecular orbitals in cluster Mott insulators provide a route to tailor exchange interactions, which may yield novel quantum phases of matter. We demonstrate the cluster Mott character of the lacunar spinel GaTa$_4$Se$_8$ using resonant inelastic x-ray scattering (RIXS) at the Ta $L_3$ edge. Electrons are fully delocalized over Ta$_4$ tetrahedra, forming quasimolecular $J_{\rm tet}$=3/2 moments. The modulation of the RIXS intensity as function of the transferred momentum q allows us to determine the cluster wavefunction, which depends on competing intracluster hopping terms that mix states with different character. This mixed wavefunction is decisive for the macroscopic properties since it affects intercluster hopping and exchange interactions and furthermore renormalizes the effective spin-orbit coupling constant. The versatile wavefunction, tunable via intracluster hopping, opens a new perspective on the large family of lacunar spinels and cluster Mott insulators in general.

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arXiv2022

RIXS interferometry and the role of disorder in the quantum magnet Ba$_3$Ti$_{3-x}$Ir$_{x}$O$_9$

Motivated by several claims of spin-orbit driven spin-liquid physics in hexagonal Ba$_3$Ti$_{3-x}$Ir$_x$O$_9$ hosting Ir2O9 dimers, we report on resonant inelastic x-ray scattering (RIXS) at the Ir L3 edge for different x. We demonstrate that magnetism in Ba$_3$Ti$_{3-x}$Ir$_x$O$_9$ is governed by an unconventional realization of strong disorder, where cation disorder affects the character of the local moments. RIXS interferometry, studying the RIXS intensity over a broad range of transferred momentum q, is ideally suited to assign different excitations to different Ir sites. We find pronounced Ir-Ti site mixing. Both ions are distributed over two crystallographically inequivalent sites, giving rise to a coexistence of quasimolecular singlet states on Ir2O9 dimers and spin-orbit entangled j=1/2 moments of 5d$^5$ Ir$^{4+}$ ions. RIXS reveals different kinds of strong magnetic couplings for different bonding geometries, highlighting the role of cation disorder for the suppression of long-range magnetic order in this family of compounds.

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arXiv2022

Quasimolecular electronic structure of the spin-liquid candidate Ba$_3$InIr$_2$O$_9$

The mixed-valent iridate Ba3InIr2O9 has been discussed as a promising candidate for quantum spin-liquid behavior. The compound exhibits Ir$^{4.5+}$ ions in face-sharing IrO6 octahedra forming Ir2O9 dimers with three t2g holes per dimer. Our results establish Ba3InIr2O9 as a cluster Mott insulator. Strong intra-dimer hopping delocalizes the three t2g holes in quasi-molecular dimer states while inter-dimer charge fluctuations are suppressed by Coulomb repulsion. The magnetism of Ba3InIr2O9 emerges from spin-orbit entangled quasi-molecular moments with yet unexplored interactions, opening up a new route to unconventional magnetic properties of 5d compounds. Using single-crystal x-ray diffraction we find the monoclinic space group C2/c already at room temperature. Dielectric spectroscopy shows insulating behavior. Resonant inelastic x-ray scattering (RIXS) reveals a rich excitation spectrum below 1.5 eV with a sinusoidal dynamical structure factor that unambiguously demonstrates the quasi-molecular character of the electronic states. Below 0.3 eV, we observe a series of excitations. According to exact diagonalization calculations, such low-energy excitations reflect the proximity of Ba3InIr2O9 to a hopping-induced phase transition based on the condensation of a quasi-molecular spin-orbit exciton. The dimer ground state roughly hosts two holes in a bonding j=1/2 orbital and the third hole in a bonding j=3/2 orbital.

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arXiv2022

Spin-orbit coupling and crystal-field splitting in Ti-doped Ca2RuO4 studied by ellipsometry

In Ca2RuO4, the competition of spin-orbit coupling $\zeta$ and tetragonal crystal field splitting $\Delta_{CF}$ has been discussed controversially for many years. The orbital occupation depends on $\Delta_{CF}/\zeta$, which allows us to address this ratio via the optical spectral weights of the lowest intersite Mott-Hubbard excitations. We study the optical conductivity of Ca$_2$Ru$_{0.99}$Ti$_{0.01}$O$_4$ in the range of 0.75 - 5 eV by ellipsometry, using the large single crystals that can be grown for small Ti concentrations. Based on a local multiplet calculation, our analysis results in $2.4 \leq \Delta_{CF}/\zeta \leq 4$ at 15 K. The dominant crystal field yields a ground state close to xy orbital order but spin-orbit coupling is essential for a quantitative description of the properties. Furthermore, we observe a pronounced decrease of $\Delta_{CF}$ with increasing temperature, as expected based on the reduction of octahedral distortions.

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arXiv2020

Microscopic derivation of Ginzburg-Landau theories for hierarchical quantum Hall states

We propose a Ginzburg-Landau theory for a large and important part of the abelian quantum Hall hierarchy, including the prominently observed Jain sequences. By a generalized "flux attachment" construction we extend the Ginzburg-Landau-Chern-Simons composite boson theory to states obtained by both quasielectron and quasihole condensation, and express the corresponding wave functions as correlators in conformal field theories. This yields a precise identification of the relativistic scalar fields entering these correlators in terms of the original electron field.

cond-mat.str-el↗

arXiv2019

Multiple Spin-Orbit Excitons and the Electronic Structure of $\alpha$-RuCl$_3$

The honeycomb compound $\alpha$-RuCl$_3$ is widely discussed as a proximate Kitaev spin-liquid material. This scenario builds on spin-orbit entangled $j = 1/2$ moments arising for a $t_{2g}^5$ electron configuration with strong spin-orbit coupling $\lambda$ and a large cubic crystal field. The low-energy electronic structure of $\alpha$-RuCl$_3$, however, is still puzzling. In particular infrared absorption features at 0.30 eV, 0.53 eV, and 0.75 eV seem to be at odds with theory. Also the energy of the spin-orbit exciton, the excitation from $j = 1/2$ to 3/2, and thus the value of $\lambda$ are controversial. Combining infrared and Raman data, we show that the infrared features can be attributed to single, double, and triple spin-orbit excitons. We find $\lambda$ = 0.16 eV and $\Delta$ =42(4) meV for the observed non-cubic crystal-field splitting, supporting the validity of the $j= 1/2$ picture for $\alpha$-RuCl$_3$. The unusual strength of the double excitation is related to the underlying hopping interactions which form the basis for dominant Kitaev exchange.

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arXiv2019

Resonant inelastic x-ray incarnation of Young's double-slit experiment

Young's archetypal double-slit experiment forms the basis for modern diffraction techniques: the elastic scattering of waves yields an interference pattern that captures the real-space structure. Here, we report on an inelastic incarnation of Young's experiment and demonstrate that resonant inelastic x-ray scattering (RIXS) measures interference patterns which reveal the symmetry and character of electronic excited states in the same way as elastic scattering does for the ground state. A prototypical example is provided by the quasi-molecular electronic structure of insulating Ba3CeIr2O9 with structural Ir dimers and strong spin-orbit coupling. The double 'slits' in this resonant experiment are the highly localized core levels of the two Ir atoms within a dimer. The clear double-slit-type sinusoidal interference patterns that we observe allow us to characterize the electronic excitations, demonstrating the power of RIXS interferometry to unravel the electronic structure of solids containing, e.g., dimers, trimers, ladders, or other superstructures.

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arXiv2019

Spin-orbit entangled j=1/2 moments in Ba$_2$CeIrO$_6$ -- a frustrated fcc quantum magnet

We establish the double perovskite Ba$_2$CeIrO$_6$ as a nearly ideal model system for j=1/2 moments, with resonant inelastic x-ray scattering indicating a deviation of less than 1% from the ideally cubic j=1/2 state. The local j=1/2 moments form an fcc lattice and are found to order antiferromagnetically at $T_N$=14K, more than an order of magnitude below the Curie-Weiss temperature. Model calculations show that the geometric frustration of the fcc Heisenberg antiferromagnet is further enhanced by a next-nearest neighbor exchange, indicated by ab initio theory. Magnetic order is driven by a bond-directional Kitaev exchange and by local distortions via a strong magneto-elastic effect - both effects are typically not expected for j=1/2 compounds making Ba2CeIrO6 a riveting example for the rich physics of spin-orbit entangled Mott insulators.

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arXiv2019

Thermodynamics of a gauge-frustrated Kitaev spin liquid

Two- and three-dimensional Kitaev magnets are prototypical frustrated quantum spin systems, in which the original spin degrees of freedom fractionalize into Majorana fermions and a $\mathbb{Z}_2$ gauge field -- a purely local phenomenon that reveals itself as a thermodynamic crossover at a temperature scale set by the strength of the bond-directional interactions. For conventional Kitaev magnets, the low-temperature thermodynamics reveals a second transition at which the $\mathbb{Z}_2$ gauge field orders and the system enters a spin liquid ground state. Here we discuss an explicit example that goes beyond this paradigmatic scenario -- the $\mathbb{Z}_2$ gauge field is found to be subject to geometric frustration, the thermal ordering transition is suppressed, and an extensive residual entropy arises. Deep in the quantum regime, at temperatures of the order of one per mil of the interaction strength, the degeneracy in the gauge sector is lifted by a subtle interplay between the gauge field and the Majorana fermions, resulting in the formation of a Majorana metal. We discuss the thermodynamic signatures of this physics obtained from large-scale, sign-free quantum Monte Carlo simulations.

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arXiv2016

Quantum Hall Physics - hierarchies and CFT techniques

The fractional quantum Hall effect, being one of the most studied phenomena in condensed matter physics during the past thirty years, has generated many groundbreaking new ideas and concepts. Very early on it was realized that the zoo of emerging states of matter would need to be understood in a systematic manner. The first attempts to do this, by Haldane and Halperin, set an agenda for further work which has continued to this day. Since that time the idea of hierarchies of quasiparticles condensing to form new states has been a pillar of our understanding of fractional quantum Hall physics. In the thirty years that have passed since then, a number of new directions of thought have advanced our understanding of fractional quantum Hall states, and have extended it in new and unexpected ways. Among these directions is the extensive use of topological quantum field theories and conformal field theories, the application of the ideas of composite bosons and fermions, and the study of nonabelian quantum Hall liquids. This article aims to present a comprehensive overview of this field, including the most recent developments.

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arXiv2014

Quantum spin liquid with a Majorana Fermi surface on the three-dimensional hyperoctagon lattice

Motivated by the recent synthesis of $β$-Li$_2$IrO$_3$ -- a spin-orbit entangled $j=1/2$ Mott insulator with a three-dimensional lattice structure of the Ir$^{4+}$ ions -- we consider generalizations of the Kitaev model believed to capture some of the microscopic interactions between the Iridium moments on various trivalent lattice structures in three spatial dimensions. Of particular interest is the so-called hyperoctagon lattice -- the premedial lattice of the hyperkagome lattice, for which the ground state is a gapless quantum spin liquid where the gapless Majorana modes form an extended two-dimensional Majorana Fermi surface. We demonstrate that this Majorana Fermi surface is inherently protected by lattice symmetries and discuss possible instabilities. We thus provide the first example of an analytically tractable microscopic model of interacting SU(2) spin-1/2 degrees of freedom in three spatial dimensions that harbors a spin liquid with a two-dimensional spinon Fermi surface.

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arXiv2013

Renyi entropies for classical stringnet models

In quantum mechanics, stringnet condensed states - a family of prototypical states exhibiting non-trivial topological order - can be classified via their long-range entanglement properties, in particular topological corrections to the prevalent area law of the entanglement entropy. Here we consider classical analogs of such stringnet models whose partition function is given by an equal-weight superposition of classical stringnet configurations. Our analysis of the Shannon and Renyi entropies for a bipartition of a given system reveals that the prevalent volume law for these classical entropies is augmented by subleading topological corrections that are intimately linked to the anyonic theories underlying the construction of the classical models. We determine the universal values of these topological corrections for a number of underlying anyonic theories including su(2)_k, su(N)_1, and su(N)_2 theories.

cond-mat.stat-mech↗

arXiv2013

Composite Fermion states on the torus

We extend the composite fermion construction to the torus geometry. We verify the validity of our construction by computing the overlap of the composite fermion state to the exact diagonalization ground state of both Coulomb interaction and Haldane-pseudopotential interaction V_0 (V_1) for bosonic (fermionic) states.

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arXiv2011

Haldane Statistics in the Finite Size Entanglement Spectra of Laughlin States

We conjecture that the counting of the levels in the orbital entanglement spectra (OES) of finite-sized Laughlin Fractional Quantum Hall (FQH) droplets at filling $ν=1/m$ is described by the Haldane statistics of particles in a box of finite size. This principle explains the observed deviations of the OES counting from the edge-mode conformal field theory counting and directly provides us with a topological number of the FQH states inaccessible in the thermodynamic limit- the boson compactification radius. It also suggests that the entanglement gap in the Coulomb spectrum in the conformal limit protects a universal quantity- the statistics of the state. We support our conjecture with ample numerical checks.

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arXiv2011

Quasiparticles and excitons for the Pfaffian quantum Hall state

We propose trial wave functions for quasiparticle and exciton excitations of the Moore-Read Pfaffian fractional quantum Hall states, both for bosons and for fermions, and study these numerically. Our construction of trial wave functions employs a picture of the bosonic Moore-Read state as a symmetrized double layer composite fermion state. We obtain the number of independent angular momentum multiplets of quasiparticle and exciton trial states for systems of up to 20 electrons. We find that the counting for quasielectrons at large angular momentum on the sphere matches that expected from the CFT which describes the Moore-Read state's boundary theory. In particular, the counting for quasielectrons is the same as for quasiholes, in accordance with the idea that the CFT describing both sides of the FQH plateau should be the same. We also show that our trial wave functions have good overlaps with exact wave functions obtained using various interactions, including second Landau level Coulomb interactions and the 3-body delta interaction for which the Pfaffian states and their quasiholes are exact ground states. We discuss how these results relate to recent work by Sreejith et al. on a similar set of trial wave functions for excitations over the Pfaffian state as well as to earlier work by Hansson et al., which has produced trial wave functions for quasiparticles based on conformal field theory methods and by Bernevig and Haldane, which produced trial wave functions based on clustering properties and `squeezing'.

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