Effect Of Electron-phonon Coupling Research Articles

Hydrofluoric Acid-Free Broadband Near-Infrared Phosphors K2LiMF6:Cr3+ with Zero-Thermal Quenching: Structure, Luminescence, and Application.

Near-infrared (NIR) phosphor-converted light-emitting diodes (pc-LEDs) are considered promising light sources for night vision, food analysis, biomedicine, and plant growth. Yet, the application potential of this technology is vulnerable to the function degradation of the phosphors used, such as thermal quenching, which needs to be addressed urgently. Herein, the NIR phosphors K2LiMF6:Cr3+ (M = Al, Ga, In) with a cubic double-perovskite structure synthesized by a green hydrofluoric acid-free hydrothermal method exhibit outstanding thermal stability. Under 450 nm excitation, the as-synthesized K2LiMF6:Cr3+ phosphors all exhibited broadband NIR emission covering 650-1000 nm peaking at 755-780 nm. The prepared K2LiAlF6:Cr3+ phosphor shows a unique zero-thermal quenching performance (I423K/I298K = 102%). The comprehensive effects of a wide band gap, large thermal energy barrier, weak electron-phonon coupling effect, and high structural rigidity are responsible for the suppression of thermal quenching in this material. The output power of the NIR pc-LED device reached 285 mW at 100 mA. This series of phosphors has promise in night vision and bioimaging applications.

Electron–phonon coupling effects on optical absorption of armchair graphene nanoribbon in the presence of magnetic field

Electron–phonon coupling effects on optical absorption of armchair graphene nanoribbon in the presence of magnetic field

Electron-phonon coupling and magnetic proximity effects on the RKKY interaction in topological crystalline insulators

Understanding the intricacies of magnetism mechanisms on the surface of topological materials, and focusing on the Ruderman-Kittel-Kasuya-Yosida interaction and its modulation, proves to be intriguing for spintronic applications. In this study, we explore switching possibilities between ferromagnetic (FM) and antiferromagnetic (AFM) couplings on the surface of topological crystalline insulator SnTe through electron-phonon coupling (EPC) and magnetic proximity effect (MPE). Our calculations, based on retarded Green's functions in real space, provide insights into the impact of EPC and MPE on FM/AFM couplings at intermediate impurity separations, where significant responses occur. Importantly, both factors induce the switch between FM and AFM in the XYZ-Heisenberg Jx/y/z and in-plane symmetric Jxy components.

Quantification of the strong, phonon-induced Urbach tails in β-Ga2O3 and their implications on electrical breakdown

In ultrawide bandgap (UWBG) nitride and oxide semiconductors, increased bandgap (Eg) correlates with greater ionicity and strong electron–phonon coupling. This limits mobility through phonon scattering, localizes carriers via polarons and self-trapping, broadens optical transitions via dynamic disorder, and modifies the breakdown field. Herein, we use polarized optical transmission spectroscopy from 77 to 633 K to investigate the Urbach energy (Eu) for many orientations of Fe- and Sn-doped β-Ga2O3 bulk crystals. We find Eu values ranging from 60 to 140 meV at 293 K and that static (structural defects plus zero-point phonons) disorder contributes more to Eu than dynamic (finite temperature phonon-induced) disorder. This is evidenced by lack of systematic Eu anisotropy, and Eu correlating more with x-ray diffraction rocking-curve broadening than with Sn-doping. The lowest measured Eu are ∼10× larger than for traditional semiconductors, pointing out that band tail effects need to be carefully considered in these materials for high field electronics. We demonstrate that, because optical transmission through thick samples is sensitive to sub-gap absorption, the commonly used Tauc extraction of a bandgap from transmission through Ga2O3 >1–3 μm thick is subject to errors. Combining our Eu(T) from Fe-doped samples with Eg(T) from ellipsometry, we extract a measure of an effective electron–phonon coupling that increases in weighted second order deformation potential with temperature and a larger value for E||b than E||c. The large electron–phonon coupling in β-Ga2O3 suggests that theories of electrical breakdown for traditional semiconductors need expansion to account not just for lower scattering time but also for impact ionization thresholds fluctuating in both time and space.

Electron–phonon coupling and non-equilibrium thermal conduction in ultra-fast heating systems

A discrete unified gas kinetic scheme is developed to solve the Boltzmann transport equation (BTE) with coupled electron and phonon thermal transport, whose time step is not limited by the relaxation time. The key of the present scheme is that the electron/phonon advection, scattering and electron–phonon interactions are coupled together within one time step by solving the BTE again at the cell interface. Numerical results show that the present scheme can correctly predict the electron–phonon coupling effects, and is in agreement with typical two-temperature model and experimental results in existing literatures and our performed time-domain thermoreflectance technique. It can also capture the ballistic effects when the characteristic length is comparable to or smaller than the mean free path where the two-temperature model fails. In addition, two anomalous heat conduction phenomena are predicted by the present scheme, namely, heat flows from phonon to electron in transient thermal grating geometry and re-rise reflected signal appears in Au/Pt bilayer metal structure. The present work can provide theoretical guidance for the study of electron–phonon coupling and offer a useful tool for multi-scale thermal management.

Temperature-dependent excitonic emission characteristics of highly crystallized carbon nitride nanosheets

Highly-crystallized carbon nitride (HCCN) nanosheets exhibit significant potential for advancements in the field of photoelectric conversion. However, to fully exploit their potential, a thorough understanding of the fundamental excitonic photophysical processes is crucial. Here, the temperature-dependent excitonic photoluminescence (PL) of HCCN nanosheets and amorphous polymeric carbon nitride (PCN) is investigated using steady-state and time-resolved PL spectroscopy. The exciton binding energy of HCCN is determined to be 109.26 meV, lower than that of PCN (207.39 meV), which is attributed to the ordered stacking structure of HCCN with a weaker Coulomb interaction between electrons and holes. As the temperature increases, a noticeable reduction in PL lifetime is observed on both the HCCN and PCN, which is ascribed to the thermal activation of carrier trapping by the enhanced electron–phonon coupling effect. The thermal activation energy of HCCN is determined to be 102.9 meV, close to the value of PCN, due to their same band structures. Through wavelength-dependent PL dynamics analysis, we have identified the PL emission of HCCN as deriving from the transitions: σ*–LP, π*–π, and π*–LP, where the π*–LP transition dominants the emission because of the high excited state density of the LP state. These results demonstrate the impact of high-crystallinity on the excitonic emission of HCCN materials, thereby expanding their potential applications in the field of photoelectric conversion.

Highly thermally stable SrLaMgTaO6: Cr3+ double-perovskite phosphors for night-vision applications

In this study, a novel thermally stability broad-band near-infrared (NIR) phosphor SrLaMgTaO6 (SLMT): Cr3+ was research, along with investigations into its structure, morphology, PL spectra and crystal field strengths. Additionally, the mechanism of concentration quenching in these samples was investigated, which primarily attributed to electric multipolar interactions notably. Surprisingly, the NIR emission intensity at 423 K remains 80.4 % of its room temperature intensity, which shows its outstanding thermal stability. To comprehend the mechanism behind the exceptional thermal stability of luminescence, a comprehensive analysis in this material was conducted, focusing on factors such as the crystal field strength of the host material and the electron-phonon coupling (EPC) effect. Subsequently, an optimized phosphor coating was applied to a 470 nm LED chip to get a NIR pc-LED device, which was evaluated for its performance. The research demonstrate that SLMT: Cr3+ phosphor is a promising NIR pc-LED.

Spinel-Based ZnAl2O4: 0.5%Cr3+ Red Phosphor Ceramics for WLED.

To address the issue of the lack of red light in traditional Ce3+: YAG-encapsulated blue LED white light systems, we utilized spark plasma sintering (SPS) to prepare spinel-based Cr3+-doped red phosphor ceramics. Through phase and spectral analysis, the SPS-sintered ZnAl2O4: 0.5%Cr3+ phosphor ceramic exhibits good density, and Cr3+ is incorporated into [AlO6] octahedra as a red emitting center. We analyzed the reasons behind the narrow-band emission and millisecond-level lifetime of ZAO: 0.5%Cr3+, attributing it to the four-quadrupole interaction mechanism as determined through concentration quenching modeling. Additionally, we evaluated the thermal conductivity and thermal quenching performance of the ceramic. The weak electron-phonon coupling (EPC) effects and emission from antisite defects at 699 nm provide positive assistance in thermal quenching. At a high temperature of 150 °C, the thermal conductivity reaches up to 14 W·m-1·K-1, and the 687 nm PL intensity is maintained at around 70% of room temperature. Furthermore, the internal quantum efficiency (IQE) of ZAO: 0.5%Cr3+ phosphor ceramic can reach 78%. When encapsulated with Ce3+: YAG for a 450 nm blue LED, it compensates for the lack of red light, adjusts the color temperature, and improves the color rendering index (R9). This provides valuable insights for the study of white light emitting diodes (WLEDs).

The effect of electron-phonon coupling on the photoluminescence properties of zinc-based halides

The effect of electron-phonon coupling on the photoluminescence properties of zinc-based halides

Intracavity frequency-doubled yellow laser in an electron-phonon-coupled Nd:YVO4 crystal.

An approach to obtain a yellow laser is demonstrated for the first time to our knowledge by the employment of an Nd3+-doped YVO4 crystal and a LBO frequency-doubling crystal. Differing from the previous stimulated self-Raman radiation of Nd:YVO4, a direct 1176 nm lasing, without a high-intensity intracavity 1064 nm laser, was realized by utilizing an electron-phonon coupling effect and amplifying the thermally activated vibronic transitions. Combining with intracavity frequency-doubling, a yellow laser at 588 nm was obtained. At the pump power of 14.3 W, the output power of the yellow laser was 1.17 W, corresponding to a diode-to-visible efficiency of 8.2%. Moreover, for the first time, the yellow laser at 584 nm with output power of 164 mW was realized by tuning the filter, indicating the great potential of such an electron-phonon coupling laser for a wavelength extension in the yellow regime.

Thermotropic Structure Phase Transitions and Two Types of Thermochromic Behaviors in a Bromoargentate Cluster [Pr-dabco]2Ag4Br6.

Organic-inorganic silver halide hybrids show abundant phase transitions and thermochromism. However, it is very rare that silver halides exhibit thermochromism related to thermotropic structure phase transition. Herein, a bromoargentate hybrid, [Pr-dabco]2Ag4Br6 (1) (Pr-dabco+ = 1-propyl-1,4-diazabicyclo-[2.2.2]octan-1-ium), with tetranuclear [Ag4Br6]2- clusters was prepared and characterized by microanalysis, ultraviolet-visible (UV-vis) diffuse reflectance spectroscopy, and thermogravimetric (TG) and differential scanning calorimetry (DSC) techniques. Interestingly, 1 undergoes an irreversible structure phase transition at ∼436 K in the first heating process, which is accompanied by an abrupt color change from colorless to yellow; however, a reversible color change between pale yellow and yellow is observed in the next heating-cooling cycles. Notably, DSC measurement revealed that a reversible phase transition is associated with the change in color between pale yellow and yellow, while the powder X-ray diffraction (PXRD) patterns corresponding to pale yellow and yellow phases are quite similar to each other. These observations demonstrate that thermochromism in the next heating-cooling runs is associated with a reversible structure phase transition, which perhaps concerns the disorder-order transformation of alkyl chains in the cationic ligand [Pr-dabco]+, and relevant to the anharmonic fluctuations of the Ag-Br and Ag-N bonds, a strong electron-phonon coupling effect is seen within the bromoargentate cluster.

Effects of the excitation wavelength and temperature on the zero-phonon emission lineofCr:YAG.

In this work, a detailed study was conducted of the temperature and excitation wavelength-dependent photoluminescence (PL) spectra of the chromium-doped yttrium aluminum garnet (Cr:YAG) transparent ceramic. Focusing on the two sets of zero-phonon lines (ZPLs) of the 2 E→4 A 2 transition in this material, the PL spectra are discovered to evolve significantly with respect to temperature and be highly dependent on the excitation wavelength. Compared to the continuous variation behavior with temperature, an increase in the excitation wavelength leads to a blueshift of the peak position within the regions of 450nm to 465nm, 465nm to 490nm, and 490nm to 500nm, and a sharp change in the PL position at the excitation wavelengths of 465nm and 490nm. The electron-phonon coupling (EPC) effect is believed to be more sensitive to the excitation wavelength. Different excitation wavelengths involve different electronic levels participating in the light emission processes, which explains the evolution behavior of the PL peak position with respect to the excitation wavelength. Moreover, the emergence of weak peaks next to the ZPLs at particular temperatures and excitation wavelengths is also observed. This work compares the influence of the temperature and excitation wavelength to the PL properties of the Cr:YAG transparent ceramic, which promotes an advanced understanding of the luminescence behavior of the Cr:YAG transparent ceramics.

Electron-phonon coupling effect on the optical absorption of gated β12-borophene.

This study addresses the effect of electron-phonon coupling (EPC) on the electro-optical properties of gated β12-borophene. The focus is on how EPC influences the orbital hybridization of boron atoms, particularly within the Bariśic-Labbe-Friedel-Su-Schrieffer-Heeger framework, and considers the role of gate electrodes in this process. The results reveal a redshift in the optical spectrum only when there is positive feedback from one electrode on EPC. In other configurations, except for the y-direction, a blueshift spectrum is observed. The study emphasizes the importance of tuning these spectral shifts for maximizing the performance of solar cells in converting sunlight into usable energy.

Achieving broadband near-infrared emission with superior anti-thermal quenching by optimizing the excited-state population of Cr3+ in Gd3ScGa4O12 garnet phosphors.

Cr3+-activated garnet phosphors with broadband near-infrared (NIR) emission have attracted considerable interest due to their high quantum efficiency (QE) and thermal stability for widespread advanced applications. Nevertheless, how to achieve energy-saving broadband NIR phosphors that possess anti-thermal quenching (anti-TQ) without compromising the high QE has yet to be fully addressed. Herein, we report on site reconstruction within the garnet lattice by strategically positioning Sc and Ga atoms into octahedral B sites with a mole ratio of 1 : 1 to produce Gd3ScGa4O12. A reduction in crystal field strength (CFS) is thus induced, leading to a redshift of Cr3+ broadband NIR emission. The inherent rigidity of the structure and the weak electron-phonon coupling (EPC) effect lay the groundwork for a thermally robust broadband NIR phosphor. The combination of bandgap engineering, finely optimizing the 4T2 excited state population, and precise control over the doping concentration contributes a high-performance broadband NIR emission (IQE = 82.75%) with unprecedented anti-TQ such that the NIR emission of Cr3+ even increases to 198% of its room-temperature intensity at 543 K. A prototype broadband NIR pc-LED is encapsulated to deliver an NIR output power of 125.20 mW@900 mA and a wall-plug efficiency (WPE) of 6.88%@30 mA, enabling night vision, noninvasive imaging, and non-destructive detection applications.

An efficient and thermally stable source with Cr3+ near-infrared luminescence for non-destructive testing applications

The quest for efficient and heat-resistant near-infrared (NIR) phosphors to create advanced smart NIR lighting sources continues to pose a significant challenge. This study introduces a new fluoride phosphor, Cr3+-doped Cs2NaScF6, wherein the Cs2NaScF6 host provides a weak crystal field suitable for Cr3+ doping. This arrangement allows the production of a broad NIR emission peaking at 797 nm, coupled with a notable internal quantum efficiency of 90.8 % when excited by 446 nm blue light. Meanwhile, due to the relatively mild electron-phonon coupling effect and a high activation energy within this phosphor, the overall NIR emission intensity at 150 °C sustains 81.8 % of its level at room temperature. This highlights exceptional thermal stability in photoluminescence performance. Combining the Cs2NaScF6:Cr3+ phosphor with a commercially available blue InGaN chip to construct a NIR light-emitting diode (LED) device, which exhibits efficient and stable NIR emission, making it suitable for non-destructive testing applications. These findings affirm that the Cs2NaScF6:Cr3+ phosphor can function as a promising candidate to fabricate high-performance device for NIR spectroscopy application.

Persistent current in a mesoscopic Holstein-Hubbard ring with Dresselhaus interaction

The effect of electron-phonon coupling, onsite repulsive Coulomb interaction and temperature on the persistent current in a quantum ring is studied in the presence of Dresselhaus spin-orbit interaction. The quantum ring threaded by the Aharonov-Bohm flux is modelled by the one-dimensional Holstein-Hubbard-Dresselhaus Hamiltonian. The electron-phonon interaction and Dresselhaus spin-orbit interaction are decoupled by employing the Lang-Firsov coherent transformation and a unitary transformation respectively. Thereafter, a self-consistent diagonalization technique is performed numerically at the Hartree-Fock level to obtain the effective electronic energy and current. It is shown that the intrinsic Dresselhaus spin-orbit interaction enhances the persistent charge and spin currents significantly. On the other hand, the persistent current is reduced by the onsite and nearest-neighbour electron-phonon interaction and Coulomb interaction. Also, the behaviour of the currents is modified by temperature. The spin-splitting of persistent spin current is enhanced considerably by Dresselhaus spin-orbit interaction and this splitting is tuneable in different regimes of magnetic flux, temperature, chemical potential and the interactions present in the system.

Weak electron-phonon coupling contributing to enhanced thermoelectric performance in n-type TiCoSb half-Heusler alloys

n-type TiCoSb half-Heusler (HH) alloys show lower thermoelectric performance may be notably owing to the low valley degeneracy of the conduction band. Here, we show that this drawback can be counterbalanced by a decrease in the deformation potential coefficient and hence, weak electron-phonon coupling strength driven by the substitution of Nb for Ti in the n-type alloys Ti1-xNbxCoSb0.96Bi0.04. The combined substitutions of Nb and Bi yield a reduction of ∼86% in the deformation potential of the conduction band minimum, with the lowest value of ∼5 eV at 300 K achieved in Ti0.85Nb0.15CoSb0.96Bi0.04. This effect leads to enhanced power factor from ∼0.018 mW m−1 K−2 for x = 0 to ∼1.69 mW m−1 K−2 for x = 0.15 at RT due to the resulting strong increase in electron mobility by one order of magnitude. Both the isovalent Bi and aliovalent Nb substitutions further contribute to decrease the lattice thermal conductivity owing to enhanced mass and strain field fluctuations. The beneficial combined effects of weaker electron-phonon coupling and enhanced point-defect phonon scattering results in a higher dimensionless thermoelectric figure of merit ZT, with a peak value ∼ 0.37 at 870 K in Ti0.85Nb0.15CoSb0.96Bi0.04, representing a ∼ 375% improvement with respect to pristine TiCoSb.

Electronic nonequilibrium effect in ultrafast-laser-irradiated solids

This paper describes the effects of electronic nonequilibrium in a simulation of ultrafast laser irradiation of materials. The simulation scheme based on tight-binding molecular dynamics, in which the electronic populations are traced with a combined Monte Carlo and Boltzmann equation, enables the modeling of nonequilibrium, nonthermal, and nonadiabatic (electron-phonon coupling) effects simultaneously. The electron-electron thermalization is described within the relaxation-time approximation, which automatically restores various known limits such as instantaneous thermalization (the thermalization time τe−e→0 ) and Born-Oppenheimer (BO) approximation ( τe−e→∞ ). The results of the simulation suggest that the non-equilibrium state of the electronic system slows down electron-phonon coupling with respect to the electronic equilibrium case in all studied materials: metals, semiconductors, and insulators. In semiconductors and insulators, it also alters the damage threshold of ultrafast nonthermal phase transitions induced by modification of the interatomic potential due to electronic excitation. It is demonstrated that the models that exclude electron-electron thermalization (using the assumption of τe−e→∞, such as BO or Ehrenfest approximations) may produce qualitatively different results, and a reliable model should include all three effects: electronic nonequilibrium, nonadiabatic electron-ion coupling, and nonthermal evolution of interatomic potential.

Lattice dynamics and electron-phonon interaction in lead-free perovskite-inspired materials with unexpected broadband NIR emission

Air-stable and Sb/Bi-based perovskite-inspired materials are attractive substitutes for their Pb-based counterparts in optoelectronic applications. The attractive low-energy broadband luminescence phenomenon has been hotly investigated. However, understanding the physical mechanism behind it is still at an early stage. Herein, high-quality Cs3SbBiI9 crystals were synthesized and accompanied with reference Cs3Sb2I9 and Cs3Bi2I9. The reformed energy band structure can be confirmed by experiment and density functional theory (DFT) calculation. Unexpected broadband near-infrared (NIR) emission has been discovered and is explained by the nonexclusive self-trapped exciton (STE) and defect-induced emission models. Temperature- dependent Raman and PL spectra confirm the diminished Stokes shift and electron-phonon coupling effect in Sb-Bi alloyed crystals driven by the local broken-symmetry. This result provides a basic physical explanation for the controversial photo-physical process in defect-type Bi/Sb alloyed perovskite-inspired family and it will inspire a feasible way to design novel Pb-free perovskites.

Spin-Selective Electron Transport Through Single Chiral Molecules.

The interplay between chirality and magnetism is a source of fascination among scientists for over a century. In recent years, chirality-induced spin selectivity (CISS) has attracted renewed interest. It is observed that electron transport through layers of homochiral molecules leads to a significant spin polarization of several tens of percent. Despite the abundant experimental evidence gathered through mesoscopic transport measurements, the exact mechanism behind CISS remains elusive. This study reports spin-selective electron transport through single helical aromatic hydrocarbons that are sublimed in vacuo onto ferromagnetic cobalt surfaces and examined with spin-polarized scanning tunneling microscopy (SP-STM) at a temperature of 5K. Direct comparison of two enantiomers under otherwise identical conditions revealed magnetochiral conductance asymmetries of up to 50% when either the molecular handedness is exchanged or the magnetization direction of the STM tip or Co substrate is reversed. Importantly, the results rule out electron-phonon coupling and ensemble effects as primary mechanisms responsible forCISS.