arXiv subjects

K. Penc

Publications and source records attributed to K. Penc.

At least 19 recordsLinked to original sources

arXiv2026

Magnetic circular dichroism of THz modes and selection rules of Raman-active optical phonons in the polar altermagnet candidate \ce{Mn2Mo3O8}

We investigated the magnetic and vibrational excitations in the collinear altermagnet candidate \ce{Mn2Mo3O8} by temperature dependent Raman scattering and magneto-optical THz time-domain transmission spectroscopy. By comparison to \textit{ab initio} calculations accurately capturing the eigenfrequencies of the vibrational eigenmodes, we identify all optical phonons, including the lowest-lying Raman modes of $A_1$ and $E_2$ type, which had remained elusive in a previous Raman study. Moreover, we compare the selection rules for optically active phonons in the paramagnetic and the magnetically ordered phases of \ce{Mn2Mo3O8} and analyze the Raman selection rules with respect to pseudo-angular momentum conservation. No evidence of the expected splitting of the degenerate paramagnetic $E_2$ optical phonons into modes with circular polarization upon magnetic ordering could be resolved, likely due to weak spin-orbit coupling typical for Mn$^{2+}$. In contrast, we observe strong magnetic circular dichroism at a broad THz excitation band, emerging in the magnetically ordered state. This band, potentially originating from two-magnon excitations, is only electric-dipole active and features a field-dependent two-component fine structure. Its magnetic circular dichroism vanishes above the spin-flop transition at 4~T.

cond-mat.str-el↗

arXiv2025

Optical phonons as a testing ground for spin group symmetries

Lattice vibrations are highly sensitive to crystal symmetries and their changes across phase transitions. The latter can modify irreducible (co)representations and corresponding infrared and Raman selection rules of phonons. This concept is established for relativistic magnetic point groups, simultaneously transforming spatial and spin coordinates. However, in altermagnets described by non-relativistic spin groups with disjunct symmetry operations for both vector spaces, the phonon selection rules have remained unexplored. Here, we present a detailed study of the infrared- and Raman-active modes in the collinear antiferromagnet and altermagnet candidate Co$_2$Mo$_3$O$_8$. Comparing to ab initio calculations accurately capturing the eigenfrequencies, we identify all expected phonon modes at room temperature and deduce their selection rules using both symmetry approaches. Importantly, we observe the change of selection rules upon antiferromagnetic ordering, agreeing with the relativistic symmetry approach, while the spin group formalism predicts no changes. Therefore, optical phonons can reveal the appropriate symmetry treatment.

cond-mat.mtrl-sci↗

arXiv2025

Topological indicators for systems with open boundaries: Application to the Kitaev wire

To clarify the relationship between edge electronic states in open-boundary crystalline systems and their corresponding bulk electronic structure, Alase et al. [Phys. Rev. Lett. 117, 076804 (2016)] have recently generalized Bloch's theorem to lattice models with broken translational symmetry. Their formalism provides a bulk-boundary correspondence indicator, D, sensitive directly to the localization of edge states. We extend this formalism in two significant ways. First, we explicitly classify the edge-state basis provided by the theory according to their underlying protecting symmetries. Second, acknowledging that the true topological invariant is the Zak phase, inherently defined only for periodic boundary conditions, we introduce an analogous quantity $\gamma_Z$, suitable for open-boundary systems. We illustrate these developments on the example of the Kitaev wire model. We demonstrate that both indicators, $D$ and our open-boundary analog, $\gamma_Z$, effectively capture topological localization: while D diverges within the topological phase, $\gamma_Z = \pi$ . We further examine eigenvalues ($z$) of the lattice shift operator, showing that variations in these eigenvalues as a function of chemical potential provide additional signatures of topological phase transitions. Additionally, we study a periodic Kitaev wire containing a bond impurity, revealing that while the topological phase remains characterized by $\gamma_Z = \pi$, significant state localization near the impurity emerges only at critical values of the chemical potential.

cond-mat.supr-con↗

arXiv2021

In-situ electric field control of THz non-reciprocal directional dichroism in the multiferroic Ba$_2$CoGe$_2$O$_7$

Non-reciprocal directional dichroism, also called the optical-diode effect, is an appealing functional property inherent to the large class of non-centrosymmetric magnets. However, the in-situ electric control of this phenomenon is challenging as it requires a set of conditions to be fulfilled: Special symmetries of the magnetic ground state, spin-excitations with comparable magnetic- and electric-dipole activity and switchable electric polarization. We demonstrate the isothermal electric switch between domains of Ba$_2$CoGe$_2$O$_7$ possessing opposite magnetoelectric susceptibilities. Combining THz spectroscopy and multiboson spin-wave analysis, we show that unbalancing the population of antiferromagnetic domains generates the non-reciprocal light absorption of spin excitations.

cond-mat.str-el↗

arXiv2020

Time-reversal symmetry breaking Abelian chiral spin liquid in Mott phases of three-component fermions on the triangular lattice

We provide numerical evidence in favor of spontaneous chiral symmetry breaking and the concomitant appearance of an Abelian chiral spin liquid for three-component fermions on the triangular lattice described by an SU(3) symmetric Hubbard model with hopping amplitude $-t$ ($t>0$) and on-site interaction $U$. This chiral phase is stabilized in the Mott phase with one particle per site in the presence of a uniform $π$-flux per plaquette, and in the Mott phase with two particles per site without any flux. Our approach relies on effective spin models derived in the strong-coupling limit in powers of $t/U$ for general SU$(N)$ and arbitrary uniform charge flux per plaquette, which are subsequently studied using exact diagonalizations and variational Monte Carlo simulations for $N=3$, as well as exact diagonalizations of the SU($3$) Hubbard model on small clusters. Up to third order in $t/U$, and for the time-reversal symmetric cases (flux $0$ or $π$), the low-energy description is given by the $J$-$K$ model with Heisenberg coupling $J$ and real ring exchange $K$. The phase diagram in the full $J$-$K$ parameter range contains, apart from three already known, magnetically long-range ordered phases, two previously unreported phases: i) a lattice nematic phase breaking the lattice rotation symmetry and ii) a spontaneous time-reversal and parity symmetry breaking Abelian chiral spin liquid. For the Hubbard model, an investigation that includes higher-order itinerancy effects supports the presence of a phase transition inside the insulating region, occurring at $(t/U)_{\rm c}\approx 0.07$ [$(U/t)_{\rm c} \approx 13$] between the three-sublattice magnetically ordered phase at small $t/U$ and this Abelian chiral spin liquid.

cond-mat.str-el↗

arXiv2019

Negative thermal expansion in the plateau state of a magnetically-frustrated spinel

We report on negative thermal expansion (NTE) in the high-field, half-magnetization plateau phase of the frustrated magnetic insulator CdCr2O4. Using dilatometry, we precisely map the phase diagram at fields of up to 30T, and identify a strong NTE associated with the collinear half-magnetization plateau for B > 27T. The resulting phase diagram is compared with a microscopic theory for spin-lattice coupling, and the origin of the NTE is identified as a large negative change in magnetization with temperature, coming from a nearly-localised band of spin excitations in the plateau phase. These results provide useful guidelines for the discovery of new NTE materials.

cond-mat.str-el↗

arXiv2018

Directional dichroism in the paramagnetic state of multiferroics: a case study of infrared light absorption in Sr2CoSi2O7 at high temperatures

The coexisting magnetic and ferroelectric orders in multiferroic materials give rise to a handful of novel magnetoelectric phenomena, such as the absorption difference for the opposite propagation directions of light called the non-reciprocal directional dichroism (NDD). Usually these effects are restricted to low temperature, where the multiferroic phase develops. In this paper we report the observation of NDD in the paramagnetic phase of Sr2CoSi2O7 up to temperatures more than ten times higher than its Néel temperature (7 K) and in fields up to 30 T. The magnetically induced polarization and NDD in the disordered paramagnetic phase is readily explained by the single-ion spin-dependent hybridization mechanism, which does not necessitate correlation effects between magnetic ions. The Sr2CoSi2O7 provides an ideal system for a theoretical case study, demonstrating the concept of magnetoelectric spin excitations in a paramagnet via analytical as well as numerical approaches. We applied exact diagonalization of a spin cluster to map out the temperature and field dependence of the spin excitations, as well as symmetry arguments of the single ion and lattice problem to get the spectrum and selection rules.

cond-mat.str-el↗

arXiv2018

Topological Magnons in Kitaev Magnets at High Fields

We study the Kitaev-Heisenberg-$Γ$-$Γ'$ model that describes the magnetism in strong spin-orbit coupled honeycomb lattice Mott insulators. In strong $[111]$ magnetic fields that bring the system into the fully polarized paramagnetic phase, we find that the spin wave bands carry nontrivial Chern numbers over large regions of the phase diagram implying the presence of chiral magnon edge states. In contrast to other topological magnon systems, the topological nontriviality of these systems results from the presence of magnon number non-conserving terms in the Hamiltonian. Since the effects of interactions are suppressed by $J/h$, the validity of the single particle picture is tunable making paramagnetic phases particularly suitable for the exploration of this physics. Using time dependent DMRG and interacting spin wave theory, we demonstrate the presence of the chiral edge mode and its evolution with field.

cond-mat.str-el↗

arXiv2016

Order by disorder in a four flavor Mott-insulator on the fcc lattice

The classical ground states of the SU(4) Heisenberg model on the face centered cubic lattice constitute a highly degenerate manifold. We explicitly construct all the classical ground states of the model. To describe quantum fluctuations above these classical states, we apply linear flavor-wave theory. At zero temperature, the bosonic flavor waves select the simplest of these SU(4) symmetry breaking states, the four-sublattice ordered state defined by the cubic unit cell of the fcc lattice. Due to geometrical constraints, flavor waves interact along specific planes only, thus rendering the system effectively two dimensional and forbidding ordering at finite temperatures. We argue that longer range interactions generated by quantum fluctuations can shift the transition to finite temperatures.

cond-mat.str-el↗

arXiv2012

Magnetoelasticity in ACr2O4 spinel oxides

Dynamical properties of the lattice structure was studied by optical spectroscopy in ACr2O4 chromium spinel oxide magnetic semiconductors over a broad temperature region of T=10-335K. The systematic change of the A-site ions (A=Mn, Fe, Co, Ni and Cu) showed that the occupancy of 3d orbitals on the A-site, has strong impact on the lattice dynamics. For compounds with orbital degeneracy (FeCr2O4, NiCr2O4 and CuCr2O4), clear splitting of infrared-active phonon modes and/or activation of silent vibrational modes have been observed upon the Jahn-Teller transition and at the onset of the subsequent long-range magnetic order. Although MnCr2O4 and CoCr2O4 show multiferroic and magnetoelectric character, no considerable magnetoelasticity was found in spinel compounds without orbital degeneracy as they closely preserve the high-temperature cubic spinel structure even in their magnetic ground state. Besides lattice vibrations, intra-atomic 3d-3d transitions of the A$^{2+}$ ions were also investigated to determine the crystal field and Racah parameters and the strength of the spin-orbit coupling.

cond-mat.str-el↗

arXiv2012

Spin-orbital quantum liquid on the honeycomb lattice

In addition to low-energy spin fluctuations, which distinguish them from band insulators, Mott insulators often possess orbital degrees of freedom when crystal-field levels are partially filled. While in most situations spins and orbitals develop long-range order, the possibility for the ground state to be a quantum liquid opens new perspectives. In this paper, we provide clear evidence that the SU(4) symmetric Kugel-Khomskii model on the honeycomb lattice is a quantum spin-orbital liquid. The absence of any form of symmetry breaking - lattice or SU(N) - is supported by a combination of semiclassical and numerical approaches: flavor-wave theory, tensor network algorithm, and exact diagonalizations. In addition, all properties revealed by these methods are very accurately accounted for by a projected variational wave-function based on the π-flux state of fermions on the honeycomb lattice at 1/4-filling. In that state, correlations are algebraic because of the presence of a Dirac point at the Fermi level, suggesting that the symmetric Kugel-Khomskii model on the honeycomb lattice is an algebraic quantum spin-orbital liquid. This model provides a good starting point to understand the recently discovered spin-orbital liquid behavior of Ba_3CuSb_2O_9. The present results also suggest to choose optical lattices with honeycomb geometry in the search for quantum liquids in ultra-cold four-color fermionic atoms.

cond-mat.str-el↗

arXiv2012

Charge dynamics in half-filled Hubbard chains with finite on-site interaction

We study the charge dynamic structure factor of the one-dimensional Hubbard model with finite on-site repulsion U at half filling. Numerical results from the time-dependent density matrix renormalization group are analyzed by comparison with the exact spectrum of the model. The evolution of the line shape as a function of U is explained in terms of a relative transfer of spectral weight between the two-holon continuum that dominates in the limit U\to \infty and a subset of the two-holon-two-spinon continuum that reconstructs the electron-hole continuum in the limit U\to 0. Power-law singularities along boundary lines of the spectrum are described by effective impurity models that are explicitly invariant under spin and η-spin SU(2) rotations. The Mott-Hubbard metal-insulator transition is reflected in a discontinuous change of the exponents of edge singularities at U=0. The sharp feature observed in the spectrum for momenta near the zone boundary is attributed to a Van Hove singularity that persists as a consequence of integrability.

cond-mat.str-el↗

arXiv2012

Spin-stretching modes in anisotropic magnets: spin-wave excitations in the multiferroic Ba2CoGe2O7

We studied spin excitations of the multiferroic Ba2CoGe2O7 in high magnetic fields up to 33 T. In the electron spin resonance and far infrared absorption spectra we found several spin excitations beyond the two conventional magnon modes expected for such a two-sublattice antiferromagnet. We show that a multi-boson spin-wave theory can capture these unconventional modes, that include spin-stretching modes associated with an oscillating magnetic dipole (or only quadrupole) moment. The lack of the inversion symmetry allows these modes to become electric dipole active. We expect that the spin-stretching modes can be generally observed in inelastic neutron scattering and light absorption experiments in a broad class of ordered S > 1/2 spin systems with strong single-ion anisotropy and/or non-centrosymmetric lattice structure.

cond-mat.str-el↗

arXiv2012

Degeneracy and ordering of the non-coplanar phase of the classical bilinear-biquadratic Heisenberg model on the triangular lattice

We investigate the zero-temperature behavior of the classical Heisenberg model on the triangular lattice in which the competition between exchange interactions of different orders favors a relative angle between neighboring spins in the interval (0,2pi/3). In this situation, the ground states are noncoplanar and have an infinite discrete degeneracy. In the generic case, the set of the ground states is in one to one correspondence (up to a global rotation) with the non-crossing loop coverings of the three equivalent honeycomb sublattices into which the bonds of the triangular lattice can be partitioned. This allows one to identify the order parameter space as an infinite Cayley tree with coordination number 3. Building on the duality between a similar loop model and the ferromagnetic O(3) model on the honeycomb lattice, we argue that a typical ground state should have long-range order in terms of spin orientation. This conclusion is further supported by the comparison with the four-state antiferromagnetic Potts model [describing the case when the angle between neighboring spins is equal to arccos(-1/3)], which at zero temperature is critical and in terms of the solid-on-solid representation is located exactly at the point of roughening transition. At other values of the angle between neighboring spins an additional constraint appears, whose presence drives the system into an ordered phase (unless this angle is equal to pi/2, when another constraint is removed and the model becomes trivially exactly solvable).

cond-mat.stat-mech↗

arXiv2012

Exact ground states with deconfined gapless excitations for the 3 leg spin-1/2 tube

We consider a spin-1/2 tube (a three-leg ladder with periodic boundary conditions) with a Hamiltonian given by two projection operators - one on the triangles, and the other on the square plaquettes on the side of the tube - that can be written in terms of Heisenberg and four-spin ring exchange interactions. We identify 3 phases: (i) for strongly antiferromagnetic exchange on the triangles, an exact ground state with a gapped spectrum can be given as an alternation of spin and chirality singlet bonds between nearest triangles; (ii) for ferromagnetic exchange on the triangles, we recover the phase of the spin-3/2 Heisenberg chain; (iii) between these two phases, a gapless incommensurate phase exists. We construct an exact ground state with two deconfined domain walls and a gapless excitation spectrum at the quantum phase transition point between the incommensurate and dimerized phase.

cond-mat.str-el↗

arXiv2011

Finite energy spectral function of an anisotropic 2D system of coupled Hubbard chains

We study the crossover from the one-dimensional to the two-dimensional Hubbard model in the photoemission spectra of weakly coupled chains. The chains with on-site repulsion are treated using the spin-charge factorized wave function, that is known to provide an essentially exact description of the chain in the strong coupling limit. The hoppings between the chains are considered as a perturbation. We calculate the dynamical spectral function at all energies in the random-phase approximation, by resuming an infinite set of diagrams. Even though the hoppings drive the system from a fractionalized Luttinger-liquid-like system to a Fermi-liquid-like system at low energies, significant characteristics of the one-dimensional system remain in the two-dimensional system. Furthermore, we find that introducing (frustrating) hoppings beyond the nearest neighbor one, the interference effects increase the energy and momentum range of the one--dimensional character.

cond-mat.str-el↗

arXiv2009

A quantum liquid with deconfined fractional excitations in three dimensions

Excitations which carry "fractional" quantum numbers are known to exist in one dimension in polyacetylene, and in two dimensions, in the fractional quantum Hall effect. Fractional excitations have also been invoked to explain the breakdown of the conventional theory of metals in a wide range of three-dimensional materials. However the existence of fractional excitations in three dimensions remains highly controversial. In this Letter we report direct numerical evidence for the existence of a quantum liquid phase supporting fractional excitations in a concrete, three-dimensional microscopic model - the quantum dimer model on a diamond lattice. We demonstrate explicitly that the energy cost of separating fractional monomer excitations vanishes in this liquid phase, and that its energy spectrum matches that of the Coulomb phase in (3+1) dimensional quantum electrodynamics.

cond-mat.str-el↗

arXiv2008

Dynamical Functions of a 1D Correlated Quantum Liquid

We extend to initial ground states with zero spin density m = 0 the expressions provided by the pseudofermion dynamical theory (PDT) for the finite-energy one- and two-electron spectral-weight distributions of a one-dimensional (1D) correlated metal with on-site particle-particle repulsion. The spectral-function expressions derived in this paper were used in recent successful and detailed theoretical studies of the finite-energy singular features in photoemission of the organic compound tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) metallic phase. Our studies take into account spectral contributions from types of microscopic processes that do not occur for finite values of the spin density. Expressions for the spectral functions in the vicinity of the singular border lines which also appear in the TTF- TCNQ spectral-weight distribution are derived. In addition, the PDT expressions are generalized for electronic densities in the vicinity of half filling. Further details on the processes involved in the applications to TTF-TCNQ are reported. Our results are useful for the further understanding of the unusual spectral properties observed in low-dimensional organic metals and also provide expressions for the one- and two-atom spectral functions of a correlated quantum system of ultracold fermionic atoms in a 1D optical lattice with on-site two-atom repulsion.

cond-mat.str-el↗