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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Giant optical nonlinearity of Fermi polarons in atomically thin semiconductors

In this study, realizing strong nonlinear optical responses is a long-standing goal of both fundamental and technological importance. Recently, substantial efforts have been focused on exploring excitons in solids to achieve nonlinearities even down to few-photon levels. However, a crucial tradeoff arises as strong light–matter interactions require large oscillator strength and short radiative lifetime of excitons, which limits their nonlinearity. Here we experimentally demonstrate strong nonlinear optical responses with large oscillator strength by exploiting the coupling between excitons and carriers in an atomically thin semiconductor. By controlling the electric field and electrostatic doping of trilayer WSe 2 , we observe the hybridization between intralayer and interlayer excitons and the formation of Fermi polarons. Substantial optical nonlinearity is observed under continuous-wave and pulsed laser excitation, where the Fermi polaron resonance blueshifts by as much as ~10 meV. Intriguingly, we observe a remarkable asymmetry in the optical nonlinearity between electron and hole doping, which is tunable by the applied electric field. We attribute these features to the optically induced valley polarization due to the interactions between excitons and free charges. Our results establish atomically thin heterostructures as a highly versatile platform for engineering nonlinear optical response with applications to classical and quantum optoelectronics.

2d materials↗
DOE OSTI2015

Possible Demonstration of a Polaronic Bose-Einstein(-Mott) Condensate in UO 2(+x) by Ultrafast THz Spectroscopy and Microwave Dissipation

Bose-Einstein condensates (BECs) composed of polarons would be an advance because they would combine coherently charge, spin, and a crystal lattice. Following our earlier report of unique structural and spectroscopic properties, we now identify potentially definitive evidence for polaronic BECs in photo- and chemically doped UO 2(+x) on the basis of exceptional coherence in the ultrafast time dependent terahertz absorption and microwave spectroscopy results that show collective behavior including dissipation patterns whose precedents are condensate vortex and defect disorder and condensate excitations. Furthermore, that some of these signatures of coherence in an atom-based system extend to ambient temperature suggests a novel mechanism that could be a synchronized, dynamical, disproportionation excitation, possibly via the solid state analog of a Feshbach resonance that promotes the coherence. Such a mechanism would demonstrate that the use of ultra-low temperatures to establish the BEC energy distribution is a convenience rather than a necessity, with the actual requirement for the particles being in the same state that is not necessarily the ground state attainable by other means. Interestingly, a macroscopic quantum object created by chemical doping that can persist to ambient temperature and resides in a bulk solid would be revolutionary in a number of scientific and technological fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Magnetic hard gap due to bound magnetic polarons in the localized regime

We investigate the low temperature electron transport properties of manganese doped lead sulfide films. The system shows variable range hopping at low temperatures that crosses over into an activation regime at even lower temperatures. This crossover is destroyed by an applied magnetic field which suggests a magnetic origin of the hard gap, associated with bound magnetic polarons. Even though the gap forms around the superconducting transition temperature of lead, we do not find evidence of this being due to insulator-superconductor transition. Comparison with undoped PbS films, which do not show the activated transport behavior, suggests that bound magnetic polarons create the hard gap in the system that can be closed by magnetic fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Role of polaron hopping in leakage current behavior of a SrTiO{sub 3} single crystal

We studied the ionic/electronic transport and resistance degradation behavior of dielectric oxides by solving the electrochemical transport equations. Here, we took into account the non-periodical boundary conditions for the transport equations using the Chebyshev collocation algorithm. A sandwiched Ni|SrTiO{sub 3}|Ni capacitor is considered as an example under the condition of 1.0 V, 1.0 μm thickness for SrTiO{sub 3} layer, and a temperature of 150 °C. The applied voltage resulted in the migration of ionic defects (oxygen vacancies) from anode towards cathode. The simulated electric potential profile at steady state is in good agreement with the recent experimental observation. We introduced the possibility of polaron-hopping between Ti{sup 3+} and Ti{sup 4+} at the electrode interface. It is shown that both the oxygen vacancy transport and the polaron-hopping contribute to the resistance degradation of single crystal SrTiO{sub 3}, which is consistent with the experimental observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effective Landé factor in a GaMnAs quantum dot; with the effects of sp-d exchange on a bound polaron

The effective g-factor of conduction (valence) band electron (hole) is obtained in the GaMnAs quantum dot. Magneto bound polaron in a GaMnAs/Ga{sub 0.6}Al{sub 0.4}As quantum dot is investigated with the inclusion of exchange interaction effects due to Mn alloy content and the geometrical confinement. The spin polaronic energy of the heavy hole exciton is studied with the spatial confinement using a mean field theory in the presence of magnetic field strength.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Numerical simulation of photoexcited polaron states in water

We consider the dynamic polaron model of the hydrated electron state on the basis of a system of three nonlinear partial differential equations with appropriate initial and boundary conditions. A parallel numerical algorithm for the numerical solution of this system has been developed. Its effectiveness has been tested on a few multi-processor systems. A numerical simulation of the polaron states formation in water under the action of the ultraviolet range laser irradiation has been performed. The numerical results are shown to be in a reasonable agreement with experimental data and theoretical predictions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Polaronic conduction and Anderson localization in reduced strontium barium niobate

Electron transport mechanisms in reduced Sr 0.5 Ba 0.5 Nb 2 O 6 (SBN50) are investigated from ~100 to 955 K through an analysis of the electrical conductivity (σ) and the Seebeck coefficient (S) with respect to temperature (T). Notably, experimental evidence is presented that supports a scenario of Anderson localization below 600 K and carrier excitation across a mobility edge at higher temperature. As a relaxor ferroelectric, stoichiometric SBN has intrinsic disorder associated with both the distribution of Sr/Ba vacancies and the formation of polarized nanoregions. The removal of oxygen through reduction generates conduction electrons in SBN. At the lowest temperatures measured (100–155 K), the electrical conductivity exhibits a temperature dependence characteristic of variable range hopping, followed by a transition to small polaron hopping at intermediate temperatures (250–545 K). In both the variable range and small polaron hopping regimes, a semiconductor-like temperature dependence of the electrical conductivity ( dσ/dT > 0) was observed. However, above 615 K, dσ/dT decreases dramatically and eventually becomes metal-like ( dσ/dT < 0). Concomitantly, the Seebeck coefficient exhibits a linear dependence on lnT from 615 to 955 K with the same slope (~104 μ V/K) for both polycrystalline SBN50 and single crystalline SBN61 (both reduced), indicating a similar, constant density of states near the Fermi level for both compositions. Here, the application of Seebeck coefficient theory to this inherently disordered material reveals that the excitation of carriers across a mobility edge is likely responsible for the change in dσ/dT at high temperature. Such findings may have a significant impact in the field of conductive ferroelectrics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Magnetic polaron formation in EuZn2P2

Colossal magnetoresistance (CMR) has been observed across many Eu2+-based materials; however, its origin is not completely understood. Here we investigate the antiferromagnetic insulator EuZn2⁢P2 through single crystal x-ray diffraction, transmission electron microscopy, electrical transport, magnetization, dilatometry, and electron spin resonance measurements complemented by density functional theory calculations. Our electrical resistivity data reveal a large negative magnetoresistance, MR=[𝑅⁡(𝐻)−𝑅⁡(0)]/𝑅⁡(0), that reaches MR=−99.7% at 9 T near the antiferromagnetic ordering temperature 𝑇𝑁=23K. Dilatometry measurements show an accompanying field-induced lattice strain. Additionally, Eu2+ electron spin resonance reveals a strong ferromagnetic exchange interaction between Eu2+ and conduction electrons. Our experimental results in EuZn2⁢P2 are consistent with a magnetic polaron scenario and suggest magnetic polaron formation as a prevailing explanation of CMR in Eu2+-based compounds.

Cook, Matt [ORNL] (ORCID:0000000288777505)↗
DOE OSTI2022

Formation of the skyrmionic polaron by Rashba and Dresselhaus spin-orbit coupling

Skyrmions in reduced dimensions such as thin layers and interfaces are of both fundamental and technological importance. In these systems, itinerant electrons are often present together with the Rashba and Dresselhaus spin-orbit coupling (SOC). Here, in this study, we show that an itinerant electron in the presence of these interactions can nucleate the skyrmion state, even when the standard Dzyaloshinskii-Moriya interaction (DMI) is absent, and the electron can become self-trapped in the skyrmion core, forming the “skyrmionic polaron” (SkP). The formation of the SkP is investigated from a continuum model of the electron, exchange coupled to the lattice spins, by solving the appropriate Euler-Lagrange equations. The skyrmion (antiskyrmion) texture is favored by the Rashba (Dresselhaus) SOC, with the binding energy increasing quadratically with the strength of the interaction. In contrast, if the skyrmion is already formed due to a nonzero DMI, the electron is delocalized and avoids the skyrmion core until the strength of the Rashba or Dresselhaus SOC exceeds a critical value. Below this critical value, the electron is not bound to the skyrmion core, the polaron does not form, and the electron has little effect on the skyrmion state. Our work envisions the possibility of manipulating the skyrmion state in device applications by altering the strength of the Rashba or Dresselhaus interactions, e.g., by an external electric field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Spin Polarons and Ferromagnetism in Doped Dilute Moiré-Mott Insulators

Moiré heterostructures of transition metal dichalcogenides (TMDs) exhibit Mott-insulating behavior both at half filling as well as at fractional fillings, where electronic degrees of freedom form self-organized Wigner crystal states. An open question concerns magnetic states obtained by lifting the pseudospin-1/2 degeneracy of these states at lowest temperatures. While at half filling virtual hopping is expected to induce (weak) antiferromagnetic exchange interactions, these are strongly suppressed when considering dilute filling fractions. We argue that, instead, a small concentration of doped electrons leads to the formation of spin polarons, inducing ferromagnetic order at experimentally relevant temperatures, consistent with recently observed ferromagnetic states in moiré TMD systems. Here, we predict explicit signatures of polaron formation in the magnetization profile.

Kondo lattice model↗
DOE OSTI2025

First-principles electron-phonon interactions and polarons in the parent cuprate La 2 CuO 4

Understanding electronic interactions in high-temperature superconductors is an outstanding challenge. In the widely studied cuprate materials, experimental evidence points to strong electron-phonon ( e -ph) coupling and broad photoemission spectra. Yet, the microscopic origin of this behavior is not fully understood. Here, we study e -ph interactions and polarons in a prototypical parent (undoped) cuprate, La 2 CuO 4 (LCO), by means of first-principles calculations. Leveraging parameter-free Hubbard-corrected density functional theory, we obtain a ground state with the band gap and Cu magnetic moment in nearly exact agreement with experiments. This enables a quantitative characterization of e -ph interactions. Our calculations reveal two classes of longitudinal optical (LO) phonons with strong e -ph coupling to hole states. These modes consist of bond stretching and bond bending in the Cu-O plane as well as vibrations of apical O atoms. The hole spectral functions, obtained with a cumulant method that can capture strong e -ph coupling, exhibit broad quasiparticle peaks with a small spectral weight ( Z ≈ 0.25 ) and pronounced LO-phonon sidebands characteristic of polaron effects. Our calculations predict features observed in photoemission spectra, including a 40-meV peak in the e -ph coupling distribution function not explained by existing models. These results show that the universal strong e -ph coupling found experimentally in doped lanthanum cuprates is also present in the parent compound, and elucidate its microscopic origin. Published by the American Physical Society 2025

Chang, Benjamin K. (ORCID:0000000313049324)↗
DOE OSTI2017

Lead halide perovskites: Crystal-liquid duality, phonon glass electron crystals, and large polaron formation

Lead halide perovskites have been demonstrated as high performance materials in solar cells and light-emitting devices. These materials are characterized by coherent band transport expected from crystalline semiconductors, but dielectric responses and phonon dynamics typical of liquids. This “crystal-liquid” duality implies that lead halide perovskites belong to phonon glass electron crystals, a class of materials believed to make the most efficient thermoelectrics. We show that the crystal-liquid duality and the resulting dielectric response are responsible for large polaron formation and screening of charge carriers, leading to defect tolerance, moderate charge carrier mobility, and radiative recombination properties. Large polaron formation, along with the phonon glass character, may also explain the marked reduction in hot carrier cooling rates in these materials.

14 SOLAR ENERGY↗
DOE OSTI2021

Microscopic evolution of doped Mott insulators from polaronic metal to Fermi liquid

From polarons to a Fermi liquid Superconductivity in the cuprates emerges by doping an antiferromagnetic “parent” state with holes or electrons. With increased doping, antiferromagnetism gives way to unconventional superconductivity, and the system eventually becomes a Fermi liquid. Koepsell et al . simulated this progression using cold, strongly interacting lithium-6 atoms trapped in an optical lattice. Although the equivalent ordered phases are not yet reachable at the experimentally available temperatures, the researchers were able to measure multipoint spin and hole correlations over a wide range of hole doping. The evolution of these correlators with doping revealed a crossover from a polaronic regime to a Fermi liquid. —JS

Science & Technology - Other Topics↗
DOE OSTI2018

The Effects of Hydrogen-Like Impurity and Temperature on State Energies and Transition Frequency of Strong-Coupling Bound Polaron in an Asymmetric Gaussian Potential Quantum Well

In the present work, we study the ground state energy, the first excited state energy and the transition frequency (TF) between the two states of the strong-coupling impurity bound polaron in an asymmetric Gaussian potential quantum well (AGPQW) by using the variational method of the Pekar type. By employing quantum statistics theory, the temperature effect on the state energies (SEs) and the TF are also calculated with a hydrogen-like impurity at the coordinate origin of the AGPQW. According to the obtained results, we found that the SEs and the TF are increasing functions of the temperature, whereas they are decreasing ones of the Coulombic impurity potential.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Explanation of Non-linear In-Plane Resistivity and Hall Coefficient in the Normal State of Cuprates: Polaronic Approach

We present a theoretical study of the in-plane resistivity ρ{sub ab}(T) and Hall coefficient R{sub H}(T) within the polaronic model and precursor pairing scenario by considering a two-component charge carrier picture in the normal state of high-temperature superconducting cuprates (HTSC). Here, we use a Boltzmann-equation approach and extended BCS-like model to compute ρ{sub ab}(T) and R{sub H}(T) in the τ-approximation. The opening of the pseudogap (PG) in the normal state of the cuprates should affect their transport properties. We have found that the transition to the PG regime and the effective conductivity of charge carriers in the normal state are responsible for the pronounced non-linear temperature dependence of ρ{sub ab} and R{sub H}. With the two-component model analysis, we conclude that the opening of the BCS-like PG, while the non-linear temperature dependence of ρ{sub ab} and R{sub H} could be understood as a consequence of pairing fluctuations in the PG state of cuprate superconductors. The calculated results for ρ{sub ab}(T) and R{sub H}(T) were compared with the experimental data obtained for various hole-doped cuprates. For all the considered cases, a good quantitative agreement was found between theory and experimental data. We also show that the energy scales of the binding energies of charge carriers are identified by PG crossover temperature on the cuprate phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Room temperature magnetic ordering and analysis by bound magnetic polaron model of Yb3+ doped nanocrystalline zinc oxide (Zn0.98Yb0.02O)

Highlights: • ZnO and Yb doped ZnO are synthesized by co-precipitation method. • Rietvelt anlysis of XRD patterns confirms the complete substitution of Yb{sup 3+} in ZnO. • Vacancy and defect mediated RTFM is introduced in doped ZnO. • BMP model successfully analyze the magnetic property of Zn{sub 0.98}Yb{sub 0.02}O. - Abstract: Nanocrystalline ZnO and Yb-doped ZnO (Zn{sub 0.98}Yb{sub 0.02}O) are prepared by simple co-precipitation method. The pure crystallographic phases of ZnO and Zn{sub 0.98}Yb{sub 0.02}O are confirmed by Rietveld analyses of XRD patterns. Raman and photoluminescence spectra recorded at room temperature (RT) indicates that lattice defects and oxygen vacancy in Zn{sub 0.98}Yb{sub 0.02}O is more than that of ZnO. Magnetic measurements of ZnO and Zn{sub 0.98}Yb{sub 0.02}O are carried out from 300 to 5 K. Ferromagnetic ordering is observed in Zn{sub 0.98}Yb{sub 0.02}O at RT and the strength of the ordering increases with the lowering of temperature. Ferromagnetism of Zn{sub 0.98}Yb{sub 0.02}O is attributed to the oxygen vacancy introduced by annealing in vacuum. Magnetization vs. temperature curve is well fitted by the combination of 3D spin wave and Curie-Weiss law, which suggest simultaneous presence of para- and ferro-magnetic phases in Zn{sub 0.98}Yb{sub 0.02}O. Ferromagnetic ordering is successfully explained by vacancy mediated bound-magnetic polaron model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

The Role of Exciton Binding Energy on LO phonon Broadening and Polaron Formation in (BA) 2 PbI 4 Ruddlesden-Popper Films

The effect of carrier–carrier and carrier–phonon interactions is presented in n = 1 (2D) (BA) 2 PbI 4 Ruddlesden–Popper thin films, and their effect is compared to that of conventional MAPbI 3 . While temperature-dependent photoluminescence shows the well-studied structural phase transitions and evidence of longitudinal optical (LO) phonon scattering in MPbI 3 , the 2D (BA) 2 PbI 4 films produce subtler properties. At low temperatures, evidence of two competing intrinsic exciton transitions is observed (P1 and P3), in addition to several extrinsic transitions attributed to the impurities in the (BA) 2 PbI 4 film. At higher temperatures, (BA) 2 PbI 4 is dominated by the two intrinsic excitons that are attributed to varying degrees of localization caused by deformations of the PbI 4 framework mediated by structural relaxation. Although both exciton complexes are well separated from the continuum (490 meV or greater), their interaction with phonons is quite different. In the case of the more strongly bound complex (P3), the strong excitonic nature and short-range interaction are mediated by the emission of LO phonon replicas. In the case of the exciton with the smaller binding energy (P1), the more extended wavefunction manifests itself in strong carrier–phonon scattering and evidence of large, stable polarons.

2D perovskites↗