arXiv subjects

A. P. Ayala

Publications and source records attributed to A. P. Ayala.

16 recordsLinked to original sources

arXiv2025

Electron-Phonon Coupling Mediated by Fröhlich Interaction in Rb2SnBr6 Perovskite

Due to their well-suited optoelectronic properties, metal halide perovskites are emerging semiconductor materials with potential applications in solar cells, detectors, and light-emitting diodes. Beyond the traditional 3D perovskites, low-dimensional counterparts have more attractive effects such as excitonic emissions and quantum confinements that are enhanced by the reduced dimensionality, which involve the Electron-Phonon Coupling (EPC). Such phenomenon, which comprehends the interaction between charge carriers and lattice vibrations, usually strongly impacts the photoluminescence (PL) response in low-dimensional frameworks. In this paper, we investigated the intrinsic EPC onto low-temperature PL of the zero-dimensional (0D) Rb2SnBr6 perovskite. Temperature-dependent PL measurements, complemented by various characterization techniques and theoretical calculations, revealed broadband emission with a significant Stokes shift attributed to self-trapped excitons (STEs). The Fröhlich mechanism, mediated by interactions between excitonic charge carriers and longitudinal optical (LO) phonons, primarily accounts for the emission broadening through phonon-assisted radiative recombination. The EPC strength was evaluated through the Huang-Rhys factor S=34, confirming strong correlations between electronic and vibrational properties and supporting the STE emission assumption. The possible mechanism of STE formation was evaluated by the Fröhlich parameter α of 1.94 for electrons and 4.73 for holes, which points out a major contribution of the hole-polaron quasi-particle on exciton trapping. Our findings give insights regarding the influence of EPC in 0D perovskites and STE formation, which leads to the assessment of Rb2SnBr6 for light-harvesting applications.

cond-mat.mtrl-sci↗

arXiv2025

About the Strain-Coupled Molecular Dynamics in the Ferroelastic Phase Transition of TMACd(N$_3$)$_3$

Tetramethylammonium (TMA) cadmium azide, is a new perovskite-like compound which undergoes a series of first-order phase transitions, including a ferroelastic transition above room temperature. Understanding the order-disorder structural phase transition (SPT) mechanism in hybrid organic--inorganic perovskites (HOIPs) is crucial for designing new compounds with enhanced barocaloric efficiency, as well as unlocking other multifunctional properties. In this paper, we employed the energy fluctuation (EF) model to investigate the experimental linewidth of Raman modes in TMACd(N$_3$)$_3$ near the critical phase transition temperature ($T_C = {322}{K}$), aiming to gain insights into the molecular dynamics around the SPT. The temperature dependence of the strain, used as an order parameter, was obtained using the appropriate thermodynamic potential for the first-order phase transition in TMACd(N$_3$)$_3$, expressed through a Landau expansion, which can be successfully employed to model first-order ferroelastic phase transitions. We show that the EF model suitably captures the behavior of the Raman linewidths in the vicinity of the structural phase transition in TMACd(N$_3$)$_3$. The activation energies obtained for TMACd(N$_3$)$_3$ are comparable to those of DMACd(N$_3$)$_3$, as well as to $k_B T_C$. Additionally, the temperature dependence of the relaxation reveals that the torsional and librational modes require longer to renormalize after the phase transition in TMACd(N$_3$)$_3$ when compared with DMACd(N$_3$)$_3$. The discussion based on these new parameters provides a new perspective for understanding molecular dynamics in systems undergoing order-disorder phase transitions, particularly in ferroelastic transitions, where order-disorder mechanisms are coupled to symmetry-breaking lattice distortions.

cond-mat.mtrl-sci↗

arXiv2024

Strong Electron-Phonon Coupling and Lattice Dynamics in One-Dimensional [(CH3)2NH2]PbI3 Hybrid Perovskite

Hybrid halide perovskites (HHPs) have attracted significant attention due to their remarkable optoelectronic properties that combine the advantages of low cost-effective fabrication methods of organic-inorganic materials. Notably, low-dimensional hybrid halide perovskites including two-dimensional (2D) layers and one-dimensional (1D) chains, are recognized for their superior stability and moisture resistance, making them highly appealing for practical applications. Particularly, DMAPbI3 has attracted attention due to other interesting behaviors and properties, such as thermally induced order-disorder processes, dielectric transition, and cooperative electric ordering of DMA dipole moments. In this paper, we investigated the interplay between low-temperature SPT undergone by the low-dimensional (1D) hybrid halide perovskite-like material DMAPbI3 and its optoelectronic properties. Our approach combines synchrotron X-ray powder diffraction, Raman spectroscopy, thermo-microscopy, differential scanning calorimetry (DSC), and photoluminescence (PL) techniques. Temperature-dependent Synchrotron powder diffraction and Raman Spectroscopy reveal that the modes associated with I-Pb-I and DMA+ ion play a crucial role in the order-disorder SPT in DMAPbI3. The reversible SPT modifies its optoelectronic properties, notably affecting its thermochromic behavior and PL emission. The origin of the PL phenomenon is associated to self-trapped excitons (STEs), which are allowed due to a strong electron-phonon coupling quantified by the Huang-Rhys factor (S = 97+-1). Notably, we identify the longitudinal optical (LO) phonon mode at 84 cm-1 which plays a significant role in electron-phonon interaction. Our results show these STEs not only intensify the PL spectra at lower temperatures but also induce a shift in the color emission, transforming it from a light orange-red to an intense bright strong red.

cond-mat.mtrl-sci↗

arXiv2023

CsCuCl3 perovskite-like compound under extreme conditions

Halide perovskite has attracted intense research interest owing to its multifaceted and versatile applications in optoelectronics. This intrigue is further fueled by their propensity to undergo intricate structural modifications under extreme conditions, thereby instigating property changes. Within this context, our study delves deep into the intricate interplay of structural and vibrational attributes within the inorganic-metal halide perovskite-like CsCuCl3. Our approach employs Raman spectroscopy and Synchrotron Powder X-Ray Diffraction (SPXRD) techniques harnessed under the dual conditions of low temperatures and high pressures. We have observed a distinct spin-phonon coupling mechanism by employing Raman spectroscopy at low temperatures; this coupling has been manifested as a renormalization phonon phenomenon that occurs notably at T* = 15 K. The correlation between spin and phonon dynamics becomes pronounced through a notable hardening of phonon temperature dependence, a behavior intricately linked to the material antiferromagnetic transition at TN = 10.7 K. The SPXRD under high pressure showed a first-order structural phase transition (SPT) at the critical pressure Pc = 3.69 GPa, leading to the transformation from the hexagonal P6522 to a base-centered monoclinic cell. Notably, the coexistence of both phases is discernible within the pressure range from 2.79 to 3.57 GPa, indicating that the SPT involves the reorganization of the internal [Cu2Cl9]5- dimer unit, with the Cl-Cu-Cl bending contributing more than stretching modes. Furthermore, we demonstrate that the SPT is reversible, but residual strain pressure influences the modification of the critical pressure Pc value upon pressure decrease.

cond-mat.mtrl-sci↗

arXiv2015

Magnetoelectric Effects in the Spiral Magnets CuCl$_{2}$ and CuBr$_{2}$

The nature and symmetry of the transition mechanisms in the spin-spiral copper halides CuCl$_2$ and CuBr$_2$ are analyzed theoretically. The magnetoelectric effects observed in the two multiferroic compounds are described and their phase diagram at zero and applied magnetic fields are worked out. The emergence of the electric polarization at zero field below the paramagnetic phase is shown to result from the coupling of two distinct spin-density waves and to be only partly related to the Dzialoshinskii-Moriya interactions. Applying a magnetic field along the two-fold monoclinic axis of CuCl$_2$ yields a decoupling of the spin-density waves modifying the symmetry of the phase and the spin-spiral orientation. The remarkable periodic dependences of the magnetic susceptibility and polarization, on rotating the field in the monoclinic plane, are described theoretically.

cond-mat.mtrl-sci↗

arXiv2014

Spin-phonon and magnetostriction phenomena in CaMn7O12 helimagnet probed by Raman spectroscopy

In this letter we investigated the temperature-dependent Raman spectra of CaMn7O12 helimagnet from room temperature down to 10 K. The temperature dependence of the Raman mode parameters show remarkable anomalies for both antiferromagnetic and incommensurate transitions that this compound undergoes at low temperatures. The anomalies observed at the magnetic ordering transition indicate a spin-phonon coupling at higher-temperature magnetic transition in this material, while a magnetostrinction effect at the lower-temperature magnetic transition.

cond-mat.mtrl-sci↗

arXiv2014

Role of rare-earth ionic radii on the spin-phonon coupling in multiferroic ordered double perovskites

In this paper we investigated the influence of the rare-earth ionic radii on the spin-phonon coupling in RE2NiMnO6 double perovskites by Raman spectroscopy. Spin-phonon in dense Nd2NiMnO6 and Gd2NiMnO6 ceramics were investigated by Raman spectroscopy at low temperatures. The magnitude of the coupling observed in comparison with other isostructural compounds shows that it is not influenced by the rare-earth ionic radius, as well as the deviation of the position of the stretching phonon in the ferromagnetic phase with relation to the anharmonic contributions follows a power law.

cond-mat.mtrl-sci↗

arXiv2013

Spin-phonon coupling in Gd(Co1/2Mn1/2)O3 perovskite

We have investigated the temperature-dependent Raman-active phonons and the magnetic properties of Gd(Co1/2Mn1/2)O3 perovskite ceramics in the temperature range from 40 K to 300 K. The samples crystallized in an orthorhombic distorted simple perovskite, whose symmetry belongs to the Pnma space group. The data reveals spin-phonon coupling near the ferromagnetic transition occurring at around 120 K. The correlation of the Raman and magnetization data suggests that the structural order influences the magnitude of the spin-phonon coupling.

cond-mat.mtrl-sci↗

arXiv2012

Far Infrared Slab Lensing and Subwavelength Imaging in Crystal Quartz

We examine the possibility of using negative refraction stemming from the phonon response in an anisotropic crystal to create a simple slab lens with plane parallel sides, and show that imaging from such a lens should be possible at room temperature despite the effects of absorption that are inevitably present due to phonon damping. In particular, we consider the case of crystal quartz, a system for which experimental measurements consistent with all-angle negative refraction have already been demonstrated. Furthermore, we investigate the possibility of subwavelength imaging from such materials, and show that it should be possible for certain configurations.

physics.optics↗

arXiv2003

Raman studies of polycrystalline CaCu$_3$Ti$_4$O$_{12}$ under high-pressure

We report a Raman scattering study of polycrystalline CaCu$_3$Ti$_4$O$_{12}$ (CCTO) under pressure up to 5.32 GPa. The pressure dependence of several Raman modes was investigated. No anomalies have been observed on the phonon spectra thereby indicating that the T$_{h}$ (Im$\bar 3$) structure remains stable for pressures up to 5.32 GPa. The pressure coefficients for the observed modes were determined. This set of parameters was used for evaluating the stress developed in CCTO thin films.

cond-mat.mtrl-sci↗

arXiv2001

Low Temperature Phase Transition in Sr(0.66)Ba(0.34)Nb2O6 single Crystal Fibers

The structural changes in Sr(0.66)Ba(0.34)Nb2O6 single crystal fibers when the temperature decreases from 295 to 10 K is investigated by dielectric constant measurements and Raman spectroscopy. The anomaly observed in the plot of e is associated to the variation in the intensity and frequency of some Raman modes. We observe that the intensity of some low energy modes has a very singular behavior for the y(xz)y scattering geometry. In the high energy region (> 850 cm-1), a band at ~ 880 cm-1 disappears when the temperature is cooled down to 10K for the y(xz)y geometry and shifts to higher energy values for the y(zz)y geometry.

cond-mat.mtrl-sci↗

arXiv2000

A Raman Study of Morphotropic Phase Boundary in PbZr1-xTixO3 at low temperatures

Raman spectra of PbZr1-xTixO3 ceramics with titanium concentration varying between 0.40 and 0.60 were measured at 7 K. By observing the concentration-frequency dependence of vibrational modes, we identified the boundaries among rhombohedral, monoclinic, and tetragonal ferroelectric phases. The analysis of the spectra was made in the view of theory group analysis making possible the assignment of some modes for the monoclinic phase.

cond-mat.mtrl-sci↗

arXiv2000

Electric Field Induced Phase Transition in KDP Crystal Near Curie Point: Raman and X-ray Scattering Studies

X-ray scattering measurements are performed in order to verify % that the mechanism leading to the DC electric field induced $C_{2v}^{19} \to C_{2v}^{\neq 19}$ phase transition in KDP crystal at 119 K is the changing of the local sites symmetries of phosphate group from $C_2$ in the $C_{2v}^{19}$ phase to $C_s$ in the $C_{2v}^{\neq 19}$ phase. It is shown by analyzing the integrated intensity of the (800) and (080) reflections that under DC electric field the density of oxygen atoms lying on these plane changes indicating that phosphate group rotates around the [010] direction relative to the orthorhombic $C_{2v}^{19}$ structure. Some Raman results are also discussed.

cond-mat.mtrl-sci↗

arXiv2000

High-pressure Raman study of L-alanine crystal

Pressure-dependent Raman scattering studies in the range 0.0 -- 32 kbar were carried out in L-alanine in order to investigate its external mode phonon spectra in relation to the phase transitions in the crystal. A careful analysis of the spectra shows that the low-energy Raman modes exhibit variation both in frequency and in intensity and between 26 and 28 kbar it is observed a splitting of a external mode, indicating that the D_2 normal phase undergoes a transition. Pressure coefficients for external modes are also given.

cond-mat.mtrl-sci↗

arXiv2000

Concentration-Pressure phase diagram for rich Zr PZT ceramics

This work reports on the systematic high pressure Raman studies in the PbZr$_{1-x}$Ti$_x$O$_3$ ($0.02 \leq x \leq 0.14$) ceramics performed at room temperature. The pressure dependence of the Raman spectra reveals the stable phases of the material under pressure variation. The results allowed us to propose a concentration-pressure phase diagram for rich Zr PZT system up to pressures of 5.0 GPa.

cond-mat↗

arXiv1999

The monoclinic phase of PZT ceramics: Raman and phenomenological theory studies

This work reports on the first Raman detection of the tetragonal to monoclinic phase transition in PZT ceramics near morphotropic phase boundary at low temperatures. The transition is characterized by changes in the frequency of lattice modes with the temperature. The results presented here confirm the previous one recently reported by Noheda et al. using high-resolution synchrotron X-ray powder diffraction technique and dielectric measurements. The stability of the new phase is discussed within the framework of phenomenological Landau-Devonshire Theory.

cond-mat↗