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Osor S. Barišić

Publications and source records attributed to Osor S. Barišić.

12 recordsLinked to original sources

Anomalous temperature dependence of polaron mobility in a nonlinear double-well potential: unbiased X-propagator approach

We develop an unbiased X-propagator method for calculating finite-temperature optical conductivity $σ(ω)$ and dc mobility $μ$ for arbitrary nonlinear electron-phonon interaction. We apply it to a polaron coupled to a double-well lattice potential, a minimal model for strongly anharmonic polar materials. At moderate coupling, the mobility exhibits three temperature regimes associated with confinement within one well, thermal competition with the barrier, and barrier-insensitive high-temperature dynamics. This sequence produces a concave temperature dependence of the mobility that is absent in conventional linear-coupling polaron models. At strong coupling, the mobility becomes nonmonotonic, and its temperature evolution is reflected in a characteristic redistribution of optical spectral weight. For parameters relevant to SrTiO$_3$, our results qualitatively reproduce both the anomalous concave mobility and the onset of violation of the Mott-Ioffe-Regel limit, thereby supporting nonlinear coupling to a soft anharmonic lattice mode as a microscopic mechanism for anomalous transport in dilute polar metals.

cond-mat.str-el↗

Unconventional plasmon dynamics due to strong correlations in Sr$_2$RuO$_4$

Plasmon modes, their dispersion, and the onset of damping when approaching the electron-hole continuum are well understood when electron correlations are weak. However, we know little about how this picture is modified and what additional features emerge in strongly correlated materials. Here, we present a fully ab initio approach to plasmon excitations that combines density functional theory with dynamical mean-field theory, and we use it to reconcile controversial electron energy-loss spectroscopy results in Sr$_2$RuO$_4$. In particular, we show that electronic correlations reproduce the plasmon dispersion, while generating a large intrinsic width already below the electron-hole continuum. An additional high-energy peak reflecting transitions between incoherent features and a sharp increase of the plasmon's energy-momentum dispersion, akin to waterfalls in photoemission spectroscopy, are identified as genuine correlation effects.

cond-mat.str-el↗

Polaron formation as the vertex function problem: From Dyck's paths to self-energy Feynman diagrams

We present an iterative method for generating the complete set of self-energy Feynman diagrams at arbitrary order for the single-polaron problem with arbitrary linear coupling to the lattice. The approach combines a combinatorial representation of noncrossing diagrams, based on Dyck paths associated with Stieltjes-Rogers polynomials, with the constraints of the Ward-Takahashi identity to systematically incorporate vertex corrections. This construction yields a one-to-one correspondence between terms in the expansion based on Stieltjes-Rogers polynomials and diagrammatic contributions, and provides, through a sequence of simple steps, a closed, algorithmic framework for generating all diagrams of a given order, together with their relative weights. The method enables efficient, unbiased evaluation of diagrammatic series and improves the convergence of diagrammatic Monte Carlo by eliminating the need for stochastic weighting between different topologies. We further outline how the construction can be generalized to finite-density electron systems.

cond-mat.str-el↗

Excitations across the equilibrium and photoinduced `hidden' states of magnetoresistive manganites

"Hidden" phases, generated using ultrafast laser pulses (few hundred femtoseconds), with properties distinct from thermodynamic equilibrium, are appealing for technologies because they can be long-lived, with lifetimes of hours or weeks, and reversible with temperature sweeping or extra pulses. In this regard, La$_{2/3}$Ca$_{1/3}$MnO$_3$ (LCMO) stands out due to its tunability through epitaxial strain, which can drive the bulk ferromagnetic metal (FMM) into an antiferromagnetic insulator (AFI), and its susceptibility to photo-induced transitions. Indeed, AFI LCMO displays a long-lived photo-induced transition into a putative 'hidden' phase whose exact nature and excitations are still largely unknown. Here, we combine ultrafast photo-excitation in the near infrared with in situ transport, x-ray absorption (XAS), and Resonant Inelastic X-ray Scattering (RIXS) to investigate the excitations (polarons, phonons, and orbital) of the photo-excited phase of LCMO and contrast them with the thermodynamic phases achieved through strain and temperature. In the thermodynamic regime, we establish the correlation between polarons and transport, placing them in the 'strong coupling' regime of the Holstein model. Upon photo-excitation of LCMO-AFI, we uncover a long-lived phase characterized by the softening of the polaron excitations, the partial suppression of the Jahn-Teller distortion, and nearly unchanged phonons, showing the emergence of a photo-excited state absent in the equilibrium phase diagram. Finally, by varying temperature, epitaxial strain, and photo-excitation fluence, we construct a polaron phase diagram and identify the key spectroscopic signatures of each phase. Our laser-RIXS approach establishes a versatile platform for exploring photo-induced 'hidden' phases in quantum materials in non-stroboscopic conditions.

cond-mat.str-el↗

Polarons with arbitrary nonlinear electron-phonon interaction

We develop an exact computational method based on numerical X-propagators for solving polaron models with arbitrary nonlinear couplings of local vibration modes to the electron density and magnitude of the hopping amplitude. Our approach covers various polaron models, some of which were impossible to treat by any existing approximation-free techniques. Moreover, it remains efficient in the most relevant but computationally challenging regime of phonon frequencies much smaller than the electron bandwidth. As a case study, we consider the double-well type nonlinear model with quadratic ($g_2<0$) and quartic ($g_4>0$) interactions describing a broad class of technologically important materials, such as quantum paraelectric compounds and halide perovskites. We observe, depending on the model parameters, three qualitatively different regimes: (i) quantum interplay of quartic and quadratic interactions which suppresses effects of the quadratic coupling, (ii) intermediate-coupling regime with exponential $\propto \exp(αg_2 Ω^{-1/4})$ scaling of the quasiparticle weight and mass renormalization, and (iii) strong-coupling asymptotic behavior.

cond-mat.str-el↗

Transport properties and doping evolution of the Fermi surface in cuprates

Measured transport properties of three representative cuprates are reproduced within the paradigm of two electron subsystems, itinerant and localized. The localized subsystem evolves continuously from the Cu 3d$^9$ hole at half-filling and corresponds to the (pseudo)gapped parts of the Fermi surface. The itinerant subsystem is observed as a pure Fermi liquid (FL) with material-independent universal mobility across the doping/temperature phase diagram. The localized subsystem affects the itinerant one in our transport calculations solely by truncating the textbook FL integrals to the observed (doping- and temperature-dependent) Fermi arcs. With this extremely simple picture, we obtain the measured evolution of the resistivity and Hall coefficients in all three cases considered, including LSCO which undergoes a Lifshitz transition in the relevant doping range, a complication which turns out to be superficial. Our results imply that prior to evoking polaronic, quantum critical point, quantum dissipation, or even more exotic scenarios for the evolution of transport properties in cuprates, Fermi-surface properties must be addressed in realistic detail.

cond-mat.supr-con↗

Characterization of two electronic subsystems in cuprates through optical conductivity

Understanding the physical properties of unconventional superconductors as well as of other correlated materials presents a formidable challenge. Their unusual evolution with doping, frequency, and temperature has frequently led to non-Fermi-liquid (non-FL) interpretations. Optical conductivity is a major challenge in this context. Here, the optical spectra of two archetypal cuprates, underdoped HgBa$_2$CuO$_{4+δ}$ and optimally-doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$, are interpreted based on the standard Fermi liquid (FL) paradigm. At both dopings, perfect frequency-temperature FL scaling is found to be modified by the presence of a second, gapped electronic subsystem. This non-FL component emerges as a well-defined mid-infrared spectral feature after the FL contribution -- determined independently by transport -- is subtracted. Temperature, frequency, and doping evolution of the MIR feature identify a gapped rather than dissipative response. In contrast, the dissipative response is found to be relevant for pnictides and ruthenates. Such an unbiased FL/non-FL separation is extended across the cuprate phase diagram, capturing all the key features of the normal state and providing a natural explanation why the superfluid density is attenuated on the overdoped side. Thus, we obtain a unified interpretation of optical responses and transport measurements in all analyzed physical regimes and all analyzed compounds.

cond-mat.supr-con↗

Kubo's response theory and bosonization with a background gauge field and irrelevant perturbations

Using conformal field theory calculations of the energy spectrum, within the XXZ model we investigate effects of the flux insertion and the Umklapp term. We discuss two approaches to the evaluation of the Drude weight, the first corresponding to the linear response theory and the second corresponding to the twisted boson theory with the Umklapp term. Divergences obtained in the context of the former contradict the Bethe ansatz results, with the two approaches coinciding for the free fermion point only. The origin of this discrepancy is in the different order in which the Umklapp term and the flux insertion are treated, where the marginal perturbation should be considered before the irrelevant. We calculate the scaling of the conductivity with system size and temperature in the long-wave limit.

cond-mat.stat-mech↗

Reduced-basis approach to many-body localization

Within the standard model of many-body localization, i.e., the disordered chain of spinless fermions, we investigate how the interaction affects the many-body states in the basis of noninteracting localized Anderson states. From this starting point we follow the approach that uses a reduced basis of many-body states. Together with an extrapolation to the full basis, it proves to be efficient for the evaluation of the stiffnesses of local observables, which remain finite within the non-ergodic regime and represent the hallmark of the many-body localization (MBL). The method enables a larger span of system sizes and, within the MBL regime, allows for a more careful analysis of the size scaling of calculated quantities. On the other hand, the survival stiffness as the representative of non--local quantities, reveals limitations of the reduced-basis approach.

cond-mat.str-el↗

Dynamical conductivity and its fluctuations along the crossover to many-body localization

We present a numerical study of the many-body localization (MBL) phenomenon in the high-temperature limit within an anisotropic Heisenberg model with random local fields. Taking the dynamical spin conductivity $σ(ω)$ as the test quantity, we investigate the full frequency dependence of sample-to-sample fluctuations and their scaling properties as a function of the system size $L\leq 28$ and the frequency resolution. We identify differences between the general interacting case $Δ>0$ and the anisotropy $Δ=0$, the latter corresponding to the standard Anderson localization. Except for the extreme MBL case when the relative sample-to-sample fluctuations became large, numerical results allow for the extraction of the low-$ω$ dependence of the conductivity. Results for the d.c. value $σ_0$ indicate a crossover into the MBL regime, i.e. an exponential-like variation with the disorder strength $W$. For the same regime, our numerical analysis indicates that the low-frequency exponent $α$ exhibits a small departure from $α\sim 1$ only.

cond-mat.str-el↗

The Role of Transport Agents in MoS2 Single Crystals

We report resistivity, thermoelectric power and thermal conductivity of MoS2 single crystals prepared by chemical vapour transport (CVT) method using I2, Br2 and TeCl4 as transport agents. The material presents low-lying donor and acceptor levels, which dominate the in-plane charge transport. Intercalates into the Van der Waals gap strongly influence the inter-plane resistivity. Thermoelectric power displays the characteristics of strong electron-phonon interaction. Detailed theoretical model of thermal conductivity reveals the presence of high number of defects in the MoS2 structure. We show that these defects are inherent to CVT growth method, coming mostly from the transport agent molecules inclusion as identified by Total Reflection X-ray Fluorescence analysis (TXRF) and in-beam activation analysis (IBAA).

cond-mat.mtrl-sci↗

Ultra-low thermal conductivity in organic-inorganic hybrid perovskite CH3NH3PbI3

We report on the temperature dependence of thermal conductivity of single crystalline and polycrystalline organometallic perovskite CH3NH3PbI3. The comparable absolute values and temperature dependence of the two sample's morphologies indicate the minor role of the grain boundaries on the heat transport. Theoretical modelling demonstrates the importance of the resonant scattering in both specimens. The interaction between phonon waves and rotational degrees of freedom of CH3NH3+ sub-lattice emerges as the dominant mechanism for attenuation of heat transport and for ultralow thermal conductivity of 0.5 W/(Km) at room temperature.

cond-mat.mtrl-sci↗