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arXiv2021

Microwave response of a chiral Majorana interferometer

We consider an interferometer based on artificially induced topological superconductivity and chiral 1D Majorana fermions. The (non-topological) superconducting island inducing the superconducting correlations in the topological substrate is assumed to be floating. This allows probing the physics of interfering Majorana modes via microwave response, i.e., the frequency dependent impedance between the island and the earth. Namely, charging and discharging of the island is controlled by the time-delayed interference of chiral Majorana excitations in both normal and Andreev channels. We argue that microwave measurements provide a direct way to observe the physics of 1D chiral Majorana modes.

cond-mat.mes-hall↗

arXiv2021

Many-Body Quantum States with Exact Conservation of Non-Abelian and Lattice Symmetries through Variational Monte Carlo

Optimization of quantum states using the variational principle has recently seen an upsurge due to developments of increasingly expressive wave functions. In order to improve on the accuracy of the ansätze, it is a time-honored strategy to impose the systems' symmetries. We present an ansatz where global non-abelian symmetries are inherently embedded in its structure. We extend the model to incorporate lattice symmetries as well. We consider the prototypical example of the frustrated two-dimensional $J_1$-$J_2$ model on a square lattice, for which eigenstates have been hard to model variationally. Our novel approach guarantees that the obtained ground state will have total spin zero. Benchmarks on the 2D $J_1$-$J_2$ model demonstrate its state-of-the-art performance in representing the ground state. Furthermore, our methodology permits to find the wave functions of excited states with definite quantum numbers associated to the considered symmetries (including the non-abelian ones), without modifying the architecture of the network.

cond-mat.str-el↗

arXiv2021

Tuning the van Hove singularities in AV$_{3}$Sb$_{5}$ (A = K, Rb, Cs) via pressure and doping

We investigate the electronic structure of the new family of kagome metals AV$_{3}$Sb$_{5}$ (A = K, Rb, Cs) using first-principles calculations. We analyze systematically the evolution of the van Hove singularities (vHss) across the entire family upon applied pressure and hole doping, specifically focusing on the two vHss closer to the Fermi energy. With pressure, these two saddle points shift away from the Fermi level. At the same time, the Fermi surface undergoes a large reconstruction with respect to the Sb bands while the V bands remain largely unchanged, pointing to the relevant role of the Sb atoms in the electronic structure of these materials. Upon hole doping, we find the opposite trend, where the saddle points move closer to the Fermi level for increasing dopings. All in all, we show how pressure and doping are indeed two mechanisms that can be used to tune the location of the two vHss closer to the Fermi level and can be exploited to tune different Fermi surface instabilities and associated orders.

cond-mat.mtrl-sci↗

arXiv2021

Valence skipping, internal doping and site-selective Mott transition in PbCoO$_3$ under pressure

We present a computational study of PbCoO$_3$ at ambient and elevated pressure. We employ the static and dynamic treatment of local correlation in form of density functional theory + $U$ (DFT+$U$) and + dynamical mean-field theory (DFT+DMFT). Our results capture the experimentally observed crystal structures and identify the unsaturated Pb $6s$ - O $2p$ bonds as the driving force beyond the complex physics of PbCoO$_3$. We provide a geometrical analysis of the structural distortions and we discuss their implications, in particular, the internal doping, which triggers transition between phases with and without local moments and a site selective Mott transition in the low-pressure phase.

cond-mat.str-el↗

arXiv2021

Electronic and dynamical properties of CeRh$_{2}$As$_{2}$: Role of Rh$_{2}$As$_{2}$ layers and expected hidden orbital order

Recently discovered heavy fermion CeRh$_{2}$As$_{2}$ compound crystallizes in the nonsymmorphic $P4/nmm$ symmetry, which enables the occurrence of topological protection. Experimental results show that this material exhibits unusual behavior, which is manifested by the appearance of two superconducting phases. In this work, we uncover and discuss a role of Rh$_{2}$As$_{2}$ layers and their impact on the electronic and dynamical properties of the system. The location of Ce atoms between two non-equivalent layers allows for the realization of hidden orbital order. We point out that the electronic band structure around the Fermi level is associated mostly with Ce $4f$ and Rh $4d$ orbitals and suggest the occurrence of the Lifshitz transition induced by the external magnetic field. We discuss also the role played by the $f$--$d$ orbital hybridization in the electronic band structure.

cond-mat.mtrl-sci↗

arXiv2021

Topological Quantum Critical Points in Strong Coupling limits: Global Symmetries and Strongly Interacting Majorana Fermions

In this article, we discuss strong coupling limits of topological quantum critical points (TQCPs) where quantum phase transitions between two topological distinct superconducting states take place. We illustrate that while superconducting phases on both sides of TQCPs spontaneously break same symmetries, universality classes of critical states can be identified only when global symmetries in topological states are further specified. In dimensions $d=2,3$, we find that continuous $(d+1)$th order transitions at weakly interacting TQCPs that were pointed out previously in the presence of emergent Lorentz symmetry can be terminated by strongly interacting fixed points of majorana fields. For $2d$ time reversal symmetry breaking TQCPs, termination points are supersymmetric with ${\mathcal N}=4N_f={1}$ (where $N_f$ is the number of four-component Dirac fermions and ${\mathcal N}$ is the number of two-component real fermions) beyond which transitions are discontinuous first order ones. For $2d$ time reversal symmetric TQCPs without other global symmetries, termination points of $(d+1)$th order continuous transition lines are generically conformal invariant without supersymmetry. Beyond these strong coupling fixed points, there are first-order discontinuous transitions as far as the protecting symmetry is not spontaneously broken but no direct transitions if the protecting symmetry is spontaneously broken in the presence of strong interactions. In $3d$, strong coupling termination points can be further effectively represented by new emergent gapless real bosons weakly coupled with free gapless majorana fermions. However, in $1d$, time reversal symmetric $(d+1)$th continuous transition lines of TQCPs are terminated by simple free majorana fermion fixed points.

cond-mat.str-el↗

arXiv2022

Disorder-driven phase transitions in bosonic fractional quantum Hall liquids

We investigate the disorder-driven phase transitions in bosonic fractional quantum Hall liquids at filling factors $f=1/2$ and $f=1$ in the lowest Landau level. We use the evolution of ground-state entanglement entropy, fidelity susceptibility, and Hall conductance with increasing disorder strength to identify the underlying phase transitions. The critical disorder strengths obtained from these different quantities are consistent with each other, validating the reliability of our numerical calculations based on exact diagonalization. At $f=1/2$, we observe a clear transition from the bosonic Laughlin state to a trivial insulating phase. At $f=1$, we identify a direct phase transition from the non-Abelian bosonic Moore-Read state to a trivial insulating phase, although some signs of a disorder-induced intermediate fractional quantum Hall phase were recently reported for the $f=5/2$ fermionic cousin.

cond-mat.str-el↗

arXiv2021

Josephson effects in twisted cuprate bilayers

Twisted bilayers of high-$T_c$ cuprate superconductors have been argued to form topological phases with spontaneously broken time reversal symmetry ${\cal T}$ for certain twist angles. With the goal of helping to identify unambiguous signatures of these topological phases in transport experiments, we theoretically investigate a suite of Josephson phenomena between twisted layers. We find an unusual non-monotonic temperature dependence of the critical current at intermediate twist angles which we attribute to the unconventional sign structure of the $d$-wave order parameter. The onset of the ${\cal T}$-broken phase near $45^\circ$ twist is marked by a crossover from the conventional $2π$-periodic Josephson relation $J(φ)\simeq J_c\sinφ$ to a $π$-periodic function as the single-pair tunneling becomes dominated by a second order process that involves two Cooper pairs. Despite this fundamental change, the critical current remains a smooth function of the twist angle $θ$ and temperature $T$ implying that a measurement of $J_c$ alone will not be a litmus test for the ${\cal T}$-broken phase. To obtain clear signatures of the ${\cal T}$-broken phase one must measure $J_c$ in the presence of an applied magnetic field or radio-frequency drive, where the resulting Fraunhofer patterns and Shapiro steps are altered in a characteristic manner. We discuss these results in light of recent experiments on twisted bilayers of the high-$T_c$ cuprate superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$.

cond-mat.supr-con↗

arXiv2021

Bosonization of Majorana modes and edge states

We present a bosonization procedure which replaces fermions with generalized spin variables subject to local constraints. It requires that the number of Majorana modes per lattice site matches the coordination number modulo two. If this condition is not obeyed, then bosonization introduces additional fermionic excitations not present in the original model. In the case of one Majorana mode per site on a honeycomb lattice, we recover a sector of Kitaev's model. We discuss also decagonal and rectangular geometries and present bosonization of the Hubbard model. For geometries with a boundary we find that certain fermionic edge modes naturally emerge. They are of different nature than edge modes encountered in topological phases of matter. Euclidean representation for the unconstrained version of a spin system of the type arising in our construction is derived and briefly studied by computing some exact averages for small volumes.

hep-lat↗

arXiv2021

The two-dimensional $t$-$t^{\prime}$ Holstein model

The competition and interplay between charge-density wave and superconductivity have become a central subject for quasi-2D compounds. Some of these materials, such as the transition-metal dichalcogenides, exhibit strong electron-phonon coupling, an interaction that may favor both phases, depending on the external parameters, such as hydrostatic pressure. In view of this, here we analyze the single-band $t$-$t^{\prime}$ Holstein model in the square lattice, adding a next-nearest neighbor hopping $t^{\prime}$ in order to play the role of the external pressure. To this end, we perform unbiased quantum Monte Carlo simulations with an efficient inversion sampling technique appropriately devised for this model. Such a methodology drastically reduces the autocorrelation time, and increases the efficiency of the Monte Carlo approach. By investigating the charge-charge correlation functions, we obtain the behavior of the critical temperature as a function of $t^{\prime}$, and from compressibility analysis, we show that a first-order metal-to-insulator phase transition occurs. We also provide a low-temperature phase diagram for the model.

cond-mat.str-el↗

arXiv2022

Imaging Se diffusion across the FeSe/SrTiO$_3$ interface

Monolayer FeSe on SrTiO$_3$ superconducts with reported $T_\mathrm{c}$ as high as 100 K, but the dramatic interfacial $T_\mathrm{c}$ enhancement remains poorly understood. Oxygen vacancies in SrTiO$_3$ are known to enhance the interfacial electron doping, electron-phonon coupling, and superconducting gap, but the detailed mechanism is unclear. Here we apply scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS) to FeSe/SrTiO$_3$ to image the diffusion of selenium into SrTiO$_3$ to an unexpected depth of several unit cells, consistent with the simultaneously observed depth profile of oxygen vacancies. Our density functional theory (DFT) calculations support the crucial role of oxygen vacancies in facilitating the thermally driven Se diffusion. In contrast to excess Se in the FeSe monolayer or FeSe/SrTiO$_3$ interface that is typically removed during post-growth annealing, the diffused Se remains in the top few unit cells of the SrTiO$_3$ bulk after the extended post-growth annealing that is necessary to achieve superconductivity. Thus, the unexpected Se in SrTiO$_3$ may contribute to the interfacial electron doping and electron-phonon coupling that enhance $T_\mathrm{c}$, suggesting another important role for oxygen vacancies as facilitators of Se diffusion.

cond-mat.supr-con↗

arXiv2023

Structure, physical properties, and magnetically tunable topological phases in topological semimetal EuCuBi

A single material achieving multiple topological phases can provide potential application for topological spintronics, whereas the candidate materials are very limited. Here, we report the structure, physical properties, and possible emergence of multiple topological phases in the newly discovered, air-stable EuCuBi single crystal. EuCuBi crystallizes in a hexagonal space group P63/mmc (No. 194) in ZrBeSi-type structure with an antiferromagnetic (AFM) ground state below TN = 11.2 K. There is a competition between AFM and ferromagnetic (FM) interactions below TN revealed by electrical resistivity and magnetic susceptibility measurements. With the increasing magnetic field, EuCuBi evolves from the AFM ground state with a small amount of FM component, going through two possible metamagnetic phases, finally reaches the field-induced FM phase. Based on the first-principles calculations, we demonstrate that the Dirac, Weyl, and possible mirror Chern insulator can be achieved in EuCuBi by tuning the temperature and applying magnetic field, making EuCuBi a promising candidate for exploring multiple topological phases.

cond-mat.mtrl-sci↗

arXiv2024

Noncoplanar orders and quantum disordered states in maple-leaf (anti)ferromagnets

A promising route towards the realization of chiral spin liquids is the quantum melting of classically noncoplanar spin states via quantum fluctuations. In the classical realm, such noncoplanar orders can effectively be stabilized by interactions beyond nearest neighbors. Motivated by the recent synthesis of materials with a maple-leaf lattice geometry, we study the effect of cross-plaquette couplings on elementary Heisenberg antiferromagnets for this geometry (as well as their ferromagnetic counterparts). We find a rich spectrum of noncoplanar states, including a novel icosahedral order as well as incommensurate spin spirals, using large-scale Monte Carlo simulations in combination with a semi-analytical analysis. To inspect the potential quantum melting of these states, we analyze the quantum $S = 1/2$ variant of these models using pseudo-fermion functional renormalization group (pf-FRG) simulations. Notably, we indeed find extended parameter regimes lacking long-range magnetic order -- in regions classically occupied by noncoplanar orders -- which we putatively identify with the possible formation of chiral quantum spin liquids.

cond-mat.str-el↗

arXiv2023

Effective spin-1 breathing kagome Hamiltonian induced by the exchange hierarchy in the maple leaf mineral bluebellite

As a highly frustrated model Hamiltonian with an exact dimer ground state, the Heisenberg antiferromagnet on the maple leaf lattice is of high theoretical interest, and a material realization is intensely sought after. We determine the magnetic Hamiltonian of the copper mineral bluebellite using density functional theory based energy mapping. As a consequence of the significant distortion of the spin $S=1/2$ maple leaf lattice, we find two of the five distinct nearest neighbor couplings to be ferromagnetic. Solution of this Hamiltonian with density matrix renormalization group calculations points us to the surprising insight that this particular imperfect maple leaf lattice, due to the strongly ferromagnetic Cu$^{2+}$ dimer, realizes an effective $S=1$ breathing kagome Hamiltonian. In fact, this is another highly interesting Hamiltonian which has rarely been realized in materials. Analysis of the effective model within a bond-operator formalism allows us to identify a valence bond solid ground state and to extract thermodynamic quantities using a low-energy bosonic mean-field theory. We resolve the puzzle of the apparent one-dimensional character of bluebellite as our calculated specific heat has a Bonner-Fisher-like shape, in good agreement with experiment.

cond-mat.str-el↗

arXiv2024

Exact staggered dimer ground state and its stability in a two-dimensional magnet

Finding an exact solution for a realistic interacting quantum many-body problem is often challenging. There are only a few problems where an exact solution can be found, usually in a narrow parameter space. Here, we propose a spin-$1/2$ Heisenberg model on a square lattice with spatial anisotropy and bond depletion for the nearest-neighbor antiferromagnetic interactions but not for the next-nearest-neighbor interactions. This model has an \emph{exact} and \emph{unique} dimer ground state at $J_2/J_1=1/2$; a dimer state is a product state of spin-singlets on dimers (here, staggered nearest-neighbor bonds). We examine this model by employing the bond-operator mean-field theory and exact diagonalization. These analytical and numerical methods precisely affirm the correctness of the dimer ground state at the exact point ($J_2/J_1=1/2$). As one moves away from the exact point, the dimer order melts and vanishes when the spin gap becomes zero. The mean-field theory with harmonic approximation indicates that the dimer order persists for $-0.35\lesssim J_2/J_1\lesssim 1.35$. However, in non-harmonic approximation, the upper critical point lowers by $0.28$ to $1.07$, but the lower critical point remains intact. The exact diagonalization results suggest that the latter approximation fares better. The model reveals Néel order below the lower critical point and stripe magnetic order above the upper critical point. It has a topologically equivalent model on a honeycomb lattice where the nearest-neighbor interactions are still spatial anisotropic, but the bond depletion shifts into the isotropic next-neighbor interactions. Moreover, these models can also be generalized in the three dimensions.

cond-mat.str-el↗

arXiv2023

Dynamics of non-thermal states in optimally-doped $Bi_2Sr_2Ca_{0.92}Y_{0.08}Cu_2O_{8+δ}$ revealed by mid-infrared three-pulse spectroscopy

In the cuprates, the opening of a d-wave superconducting (SC) gap is accompanied by a redistribution of spectral weight at energies two orders of magnitude larger than this gap. This indicates the importance to the pairing mechanism of on-site electronic excitations, such as orbital transitions or charge transfer excitations. Here, we resort to a three-pulse pump-probe scheme to study the broadband non-equilibrium dielectric function in optimally-doped $Bi_2Sr_2Ca_{0.92}Y_{0.08}Cu_2O_{8+δ}$ and we identify two distinct dynamical responses: i) a blueshift of the central energy of an interband excitation peaked at 2 eV and ii) a change in spectral weight in the same energy range. Photoexcitation with near-IR and mid-IR pulses, with photon energies respectively above and below the SC gap, reveals that the transient changes in the central energy are not modified by the onset of superconductivity and do not depend on the pump photon energy. Conversely, the spectral weight dynamics strongly depends on the pump photon energy and has a discontinuity at the critical temperature. The picture that emerges is that, while high-energy pulses excite quasiparticles in both nodal and thermally inaccessible antinodal states, photoexcitation by low-energy pulses mostly accelerates the condensate and creates excitations predominantly at the nodes of the SC gap. These results, rationalized by kinetic equations for d-wave superconducting gaps, indicate that dynamical control of the momentum-dependent distribution of non-thermal quasiparticles may be achieved by the selective tuning of the photoexcitation.

cond-mat.supr-con↗

arXiv2022

Detecting symmetry fractionalization in gapped quantum spin liquids by magnetic impurities

We study the Kondo effect of spin-1/2 magnetic impurities in gapped Z2 spin liquids on two-dimensional lattices. We find that if the impurity is placed at a high-symmetry location, a nontrivial spinon fractionalization class of the impurity site symmetry group will necessarily lead to a non-Kramers doublet in the Kondo screening regime, protected by associated crystalline symmetries. This is in sharp contrast to a featureless screening phase in the usual Kondo effect. We demonstrate this symmetry-protected topological degeneracy by an exactly solvable model and by the large-N theory. Based on this effect, we discuss how thermodynamic measurements in the limit of dilute magnetic impurities can be used to detect symmetry fractionalization in gapped Z2 spin liquids.

cond-mat.str-el↗

arXiv2003

Itinerant electron metamagnetism in LaCo$_9$Si$_4$

The strongly exchange enhanced Pauli paramagnet LaCo$_9$Si$_4$ is found to exhibit an itinerant metamagnetic phase transition with indications for metamagnetic quantum criticality. Our investigation comprises magnetic, specific heat, and NMR measurements as well as ab-initio electronic structure calculations. The critical field is about 3.5 T for $H||c$ and 6 T for $H\bot c$, which is the lowest value ever found for rare earth intermetallic compounds. In the ferromagnetic state there appears a moment of about 0.2 $μ_B$/Co at the $16k$ Co-sites, but sigificantly smaller moments at the 4d and $16l$ Co-sites.

cond-mat.str-el↗