A widely adopted computational protocol in contemporary materials research is to first relax materials' geometries using semilocal density functional approximations (DFA), and then determining their electronic band structures using the more expensive hybrid functionals. This procedure often works well, as the popular semilocal DFAs, such as the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation, yield rather good geometries for a wide range of materials. However, here we show that, for some of the lead-free halide double perovskites (HDPs) ${\mathrm{Cs}}_{2}B{B}^{\prime }{X}_6$ ($B={\mathrm{Ag}}^{+}, {\mathrm{Na}}^{+}$; $B^{\prime }={\mathrm{In}}^{3+}, {\mathrm{Bi}}^{3+}$; $X={\mathrm{Cl}}^{-}, {\mathrm{Br}}^{-}$), the validity of this common practice is questionable. We find that, for these HDPs, the geometrical structures, in particular, the $B\left(B^{\prime }\right)\text{−}X$ bond lengths predicted by PBE show large deviations from the experimental values. Additionally, the band gaps of some of these materials (specifically, the In-based HDPs) are sensitive to the $B\left(B^{\prime }\right)\text{−}X$ bond lengths. As a consequence, the band gaps obtained using the hybrid functionals (such as the Heyd-Scuseria-Ernzerhof functional) based on the PBE geometries can still be quite off, in particular, for HDPs with $B^{\prime }={\mathrm{In}}^{3+}$. The situation is significantly improved by using hybrid functionals with tuned portion of exact exchange, based on the geometries determined consistently under the same level of theory. The successes and failures of several popular exchange-correlation (XC) functionals are traced back to the so-called delocalization error, and can be quantitatively analyzed and understood via a three-atom linear-chain $B\text{−}X\text{−}{B}^{\prime }$ molecular model. Finally, our findings provide a practical guide for choosing appropriate XC functionals for describing HDPs and point to a promising path for band structure engineering via doping and alloying.

Cooper quartets represent exotic fermion aggregates describing correlated matter at the basis of charge-$4e$ superconductivity and offer a platform for studying four-body interactions, of interest for topologically protected quantum computing, nuclear matter simulations, and more general strongly correlated matter. Focusing on solid-state systems, we show how to quantum design Cooper quartets in a double-dot system coupled to ordinary superconducting leads through the introduction of an attractive interdot interaction. A fundamentally novel, maximally correlated double-dot ground state, in the form of a superposition of vacuum $|0\rangle$ and four-electron state $|4e\rangle$, emerges as a narrow resonance in a many-body quartet correlator that is accompanied by negligible pair correlations and features a rich phenomenology. The system represents an instance of correlated Andreev matter and the results open the way to the exploration of interaction effects in hybrid superconducting devices, and the study of novel correlated states of matter with ingredients available in a quantum solid-state laboratory.

We investigate the observables of the one-dimensional model for anomalous transport in semiconductor devices where diffusion arises from scattering at dislocations at fixed random positions, known as the Lévy-Lorentz gas. To gain insight into the microscopic properties of such a stochastically complex system, deterministic dynamics known as the slicer map and fly-and-die dynamics are used. We analytically derive the generalized position autocorrelation function of these dynamics and study the special case, the 3-point position correlation function. For this, we derive single-parameter-dependent scaling and compare it with the numerically estimated 3-point position autocorrelation of the Lévy-Lorentz gas, for which the analytical expression is still an open question. Here we obtained a remarkable agreement between them, irrespective of any functional relationship with time. Moreover, we demonstrate that the position moments and the position autocorrelations of these systems scale in the same fashion, provided the times are large enough and far enough apart. Other observables, such as velocity moments and correlations, are reported to distinguish the systems.

We investigate odd-in-time—or odd-frequency—pairing of fermions in equilibrium systems within the particle-number-conserving framework of Penrose, Onsager, and Yang, where superfluid order is defined by macroscopic eigenvalues of reduced density matrices. We show that odd-frequency pair correlations are synonymous with even fermion-exchange symmetry in a time-dependent correlation function that generalises the two-body reduced density matrix. Macroscopic even-under-fermion-exchange pairing is found to emerge from conventional Penrose-Onsager-Yang condensation in two-body or higher-order reduced density matrices through the symmetry-mixing properties of the Hamiltonian. We identify and characterize a transformer matrix responsible for producing macroscopic even fermion-exchange correlations that coexist with a conventional Cooper-pair condensate, while a generator matrix is shown to be responsible for creating macroscopic even fermion-exchange correlations from hidden orders such as a multiparticle condensate. The transformer scenario is illustrated using the spin-balanced $s$-wave superfluid with Zeeman splitting as an example. The generator scenario is demonstrated by the composite-boson condensate arising for itinerant electrons coupled to magnetic excitations. Structural analysis of the transformer and generator matrices is shown to provide general conditions for odd-frequency pairing order to arise in a given system. Our formalism facilitates a fully general derivation of the Meissner effect for odd-frequency superconductors that holds also beyond the regime of validity for mean-field theory.

We propose a quasistatic magnon-based Otto thermal machine in two-dimensional (2D) magnetic insulators. The thermodynamical cycles are engineered by exposing a magnon spin system to thermal baths at different temperatures and tuning the Dzyaloshinskii-Moriya (DM) interaction. We find that a thermal gas of magnons converts a fraction of heat into energy in the form of work, where the efficiency is maximized for specific values of DM, reaching the corresponding Carnot efficiency. We witness a positive to negative net work transition during the cycle that marks the onset of a refrigeratorlike behavior. The work produced by the magnonic Otto engine enhances the magnon chemical potential. The last enables a spin accumulation that might result in the pumping of spin currents at the interfaces of metal-magnet heterostructures. Our work opens possibilities for the efficient leverage of conventional two-dimensional magnets.

Bulk-edge correspondence is a cornerstone in topological physics, establishing a connection between the number of unidirectional edge modes in physical space and a Chern number, an integer that counts phase singularities of the eigenmodes in parameter space. In continuous media, violation of this correspondence has been reported when some of the frequency wave bands are unbounded, resulting in weak topological protection of chiral edge states. Here, we propose a strategy to reestablish strong bulk-edge correspondence in incompressible rotating stratified flows, taking advantage of a natural cutoff frequency provided by density stratification. The key idea involves the introduction of an auxiliary field to handle the divergence-free constraint. This approach highlights the resilience of internal coastal Kelvin waves near vertical walls under varying boundary conditions.

We present a detailed theoretical study of the electronic structure of hafnium tin HfSn crystallizing in a $\mathrm{B}20$ structure, renowned for the diversity of physical and peculiar topological properties. The chiral crystal structure of these materials protects multifold band crossings located at high-symmetry points. We employ density functional methods to reveal basic features of the band structure and Fermi surface topology of HfSn, on top of which a tight-binding model is built. The compound exhibits a fourfold band crossing pinned at the $\mathrm{\Gamma }$ point. We investigate routes that can shift such crossings towards the Fermi level, offering a way to possibly tune the compound's properties. Specifically, we show that the energy position of the fourfold crossing can be easily manipulated via external perturbations such as strain and pressure. Considering that this point carries a topological charge larger than 1, such tuning is of great importance. We anticipate that the approach presented in the current study can be utilized to investigate symmetry-protected crossings in a wide class of materials.

We propose controlling the hybridization between Majorana zero modes at the ends of magnetic adatom chains on superconductors by an additional magnetic adatom deposited close by. By tuning the additional adatom's magnetization, position, and coupling to the superconductor, we can couple and decouple the Majorana modes, as well as control the ground-state parity. The scheme is independent of microscopic details in ferromagnetic and helical magnetic chains on superconductors, with and without spin-orbit coupling, which we show by studying their full microscopic models and their common low-energy description. Our results show that scanning tunneling microscopy and electron-spin-resonance techniques are promising tools for controlling the Majorana hybridization in magnetic adatoms-superconductor setups, providing a basis for Majorana parity measurements, fusion, and braiding techniques.

The cooling of a Bose gas in finite time results in the formation of a Bose-Einstein condensate that is spontaneously proliferated with vortices. We propose that the vortex spatial statistics is described by a homogeneous Poisson point process (PPP) with a density dictated by the Kibble-Zurek mechanism (KZM). We validate this model using numerical simulations of the two-dimensional stochastic Gross-Pitaevskii equation (SGPE) for both a homogeneous and a hard-wall trapped condensate. The KZM scaling of the average vortex number with the cooling rate is established along with the universal character of the vortex number distribution. The spatial statistics between vortices is characterized by analyzing the two-point defect-defect correlation function, the corresponding spacing distributions, and the random tessellation of the vortex pattern using the Voronoi cell area statistics. Combining the PPP description with the KZM, we derive universal theoretical predictions for each of these quantities and find them in agreement with the SGPE simulations. Our results establish the universal character of the spatial statistics of point-like topological defects generated during a continuous phase transition and the associated stochastic geometry.

The search for Kitaev spin liquid states has recently broadened to include a number of honeycomb materials with integer spin moments. The qualitative difference with their spin-1/2 counterparts is the presence of single-ion anisotropy (SIA). This motivates our investigation of the effects of SIA on the ground state of the spin-1 Kitaev-Heisenberg (KH) model using the density-matrix renormalization group which allows construction of detailed phase diagrams around the Kitaev points. We demonstrate that positive out-of-plane SIA induces an in-plane vortex state without the need for off-diagonal interactions. Conversely, negative SIA facilitates the emergence of a ferromagnetic state in the presence of antiferromagnetic Heisenberg interactions, whereas a Néel state can emerge for ferromagnetic Heisenberg coupling. These findings, pertinent even for weak SIA, not only enhance our theoretical understanding of the spin-1 KH model but also suggest experimental prospects for observing these novel magnetic states in material realizations.

The functionality of magnetoelectric multiferroics depends on the formation, size, and coupling of their magnetic and electric domains. Knowing the parameters guiding these criteria is a key effort in the emerging field of magnetoelectric domain engineering. Here we show, using a combination of piezoresponse-force microscopy, nonlinear optics, and x-ray scattering, that the correlation length setting the size of the ferroelectric domains in the multiferroic hexagonal manganites can be engineered from the micron range down to a few unit cells under the substitution of ${\mathrm{Mn}}^{3+}$ ions with ${\mathrm{Al}}^{3+}$ ions. The magnetoelectric coupling mechanism between the antiferromagnetic ${\mathrm{Mn}}^{3+}$ order and the distortive-ferroelectric order remains intact even at substantial replacement of ${\mathrm{Mn}}^{3+}$ by ${\mathrm{Al}}^{3+}$. Hence, chemical substitution proves to be an effective tool for domain-size engineering in one of the most studied classes of multiferroics.

We consider an ensemble of homonuclear diatomic molecules coupled to the two polarization directions of a Fabry-Pérot cavity via fully quantum simulations. Accompanied by analytical results, we identify a coupling mechanism mediated simultaneously by the two perpendicular polarizations, and inducing polaritonic relaxation towards molecular rotations. This mechanism is related to the concept of light-induced conical intersections (LICIs). However, unlike LICIs, these nonadiabatic pathways are of a collective nature, since they depend on the relative intermolecular orientation of all electronic transition dipoles in the polarization plane. Notably, this rotational mechanism directly couples the bright upper and lower polaritonic states, and it stays in direct competition with the collective relaxation towards dark states.

An investigation of the thermodynamic and electrical transport properties of the isoelectronic chemical substitution series ${\mathrm{CeTi}}_{1-x}{\mathrm{V}}_x{\mathrm{Ge}}_3$ (CTVG) single crystals is reported. As $x$ increases, the ferromagnetic (FM) transition temperature is suppressed, reaching absolute zero at the critical concentration $x=0.4$, where a non-Fermi-liquid low-temperature specific heat and electrical resistivity, as well as the hyperscaling of specific heat and magnetization, are found. Our study suggests the presence of an FM quantum critical point (QCP) in CTVG. The obtained critical exponents indicate that CTVG falls in the preasymptotic region of the disorder-tuned FM QCP predicted by the Belitz-Kirkpatrick-Vojta theory.

Many of the important phases observed in twisted transition metal dichalcogenide homobilayers are driven by short-range interactions, which should be captured by a local tight binding description since no Wannier obstruction exists for these systems. Yet, published theoretical descriptions have been mutually inconsistent, with honeycomb lattice tight binding models adopted for some twist angles, triangular lattice models adopted for others, and with tight binding models forsaken in favor of band projected continuum models in many numerical simulations. Here, we derive and study a minimal model containing both honeycomb orbitals and a triangular site that represents the band physics across a wide range of twist angles. The model provides a natural basis to study the interplay of interaction and topology in these heterostructures. It elucidates from generic features of the bilayer the sequence of Chern numbers occurring as twist angle is varied, and the microscopic origin of the magic angle at which flat-band physics occurs. At integer filling, the model successfully captures the Chern ferromagnetic and van Hove-driven antiferromagnetic insulators experimentally observed for small and large angles, respectively, and allows a straightforward calculation of the magnetoelectric properties of the system.

We study theoretically the nonlinear optical response of disordered electrons in the regime of weak (anti)localization. Our analytical and numerical calculations reveal that in orthogonal/symplectic class systems, two consecutive, phase-coherent optical pulses generate an electric current echo that appears after the second pulse, and at a time equal to the pulse delay time. The current echo reflects the quantum interference between a self-intersecting electron path and its time-reversal partner, and, therefore, provides a time-domain interferometry of weak (anti)localization. Our results can be potentially tested on disordered metal films by using terahertz two-dimensional coherent spectroscopy or ultrafast transport measurements.

A topological frequency converter represents a dynamical counterpart of the integer quantum Hall effect, where a two-level system enacts a quantized time-averaged power transfer between two driving modes of incommensurate frequency. Here, we investigate as to what extent temporal coherence in the quantum dynamics of the two-level system is important for the topological quantization of the converter. To this end, we consider dissipative channels corresponding to spontaneous decay and dephasing in the instantaneous eigenbasis of the Hamiltonian as well as spontaneous decay in a fixed basis. The dissipation is modelled using both a full Lindblad and an effective non-Hermitian (NH) Hamiltonian description. For all three dissipation channels, we find a transition from the unperturbed dynamics to a quantum watchdog effect, which destroys any power transfer in the strong coupling limit. This is striking because the watchdog effect leads to perfectly adiabatic dynamics in the instantaneous eigenbasis, at first glance similar to the unperturbed case. Furthermore, it is found that dephasing immediately leads to an exponential decay of the power transfer in time due to loss of polarization in the mixed quantum state. Finally, we discuss the appearance in the effective NH trajectory description of nonadiabatic processes, which are suppressed in the full Lindblad dynamics.