Search Results (325)

Potassium bromide (KBr) thin films were deposited by resistive thermal evaporation at substrate temperatures ranging from 50 °C to 250 °C to systematically elucidate the temperature-dependent evolution of their physical properties. Structural, morphological, and optical characteristics were examined by X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and Fourier transform infrared spectroscopy (FTIR). The results reveal a complex, non-monotonic response to temperature rather than a simple linear trend. As the substrate temperature increases, growth evolves from a mixed polycrystalline texture to a pronounced (200) preferred orientation. Morphological analysis shows that the film surface is smoothest at 150 °C, while the microstructure becomes densest at 200 °C. These structural variations directly modulate the optical constants: the refractive index attains its highest values in the 150–200 °C window, approaching that of bulk KBr. Cryogenic temperature (6 K) FTIR measurements further demonstrate that suppression of multi-phonon absorption markedly enhances the infrared transmittance of the films. Taken together, the data indicate that 150–200 °C constitutes an optimal process window for fabricating KBr films that combine superior crystallinity, low defect density, and high packing density. This study elucidates the temperature-driven structure–property coupling and offers valuable guidance for optimizing high-performance infrared and cryogenic optical components. Full article

Inelastic electron tunneling spectroscopy (IETS) has emerged as a powerful vibrational spectroscopy technique for molecular electronic junctions, providing unique insights into molecular vibrations and electron–phonon coupling at the nanoscale. In this review, we present a comprehensive overview of IETS in molecular junctions, tracing its development from foundational principles to the latest advances. We begin with the theoretical background, detailing the mechanisms by which inelastic tunneling processes generate vibrational fingerprints of molecules, and highlighting how IETS complements optical spectroscopies by accessing electrically driven vibrational excitations. We then discuss recent progress in experimental techniques and device architectures that have broadened the applicability of IETS. Central focus is given to emerging applications of IETS over the last decade: molecular sensing (identification of chemical bonds and conformational changes in junctions), thermoelectric energy conversion (probing vibrational contributions to molecular thermopower), molecular switches and functional devices (monitoring bias-driven molecular state changes via vibrational signatures), spintronic molecular junctions (detecting spin excitations and spin–vibration interplay), and advanced data analysis approaches such as machine learning for interpreting complex tunneling spectra. Finally, we discuss current challenges, including sensitivity at room temperature, spectral interpretation, and integration into practical devices. This review aims to serve as a thorough reference for researchers in physics, chemistry, and materials science, consolidating state-of-the-art understanding of IETS in molecular junctions and its growing role in molecular-scale device characterization. Full article

Both ZnO and BeO semiconductors crystallize in the hexagonal wurtzite (wz), cubic rock salt (rs), and zinc-blende (zb) phases, depending upon their growth conditions. Low-dimensional heterostructures ZnO/Be_xZn_1-xO and Be_xZn_1-xO ternary alloy-based devices have recently gained substantial interest to design/improve the operations of highly efficient and flexible nano- and micro-electronics. Attempts are being made to engineer different electronic devices to cover light emission over a wide range of wavelengths to meet the growing industrial needs in photonics, energy harvesting, and biomedical applications. For zb materials, both experimental and theoretical studies of lattice dynamics ${\mathsf{\omega }}_{\mathrm{j}}\left(\overrightarrow{\mathrm{q}}\right)$ have played crucial roles for understanding their optical and electronic properties. Except for zb ZnO, inelastic neutron scattering measurement of ${\mathsf{\omega }}_{\mathrm{j}}\left(\overrightarrow{\mathrm{q}}\right)$ for BeO is still lacking. For the Be_xZn_1-xO ternary alloys, no experimental and/or theoretical studies exist for comprehending their structural, vibrational, and thermodynamical traits (e.g., Debye temperature ${\mathsf{\Theta }}_{\mathrm{D}}\left(\mathrm{T}\right);$ specific heat ${\mathrm{C}}_{\mathrm{v}}\left(\mathrm{T}\right))$. By adopting a realistic rigid-ion model, we have meticulously simulated the results of lattice dynamics, and thermodynamic properties for both the binary zb ZnO, BeO and ternary Be_xZn_1-xO alloys. The theoretical results are compared/contrasted against the limited experimental data and/or ab initio calculations. We strongly feel that the phonon/thermodynamic features reported here will encourage spectroscopists to perform similar measurements and check our theoretical conjectures. Full article

Topological insulators (TIs) can be widely applied in the fields of ultrafast optical and spintronic devices owing to the existence of topologically protected gapless Dirac surface states. However, the study of ultrafast dynamics of carriers in TIs remains elusive. In this work, the carrier dynamics of Li-doped Bi_2−xSe₃ single crystals were investigated by femtosecond (fs) transient optical spectroscopy (ΔR/R(t) signals). The temperature dependence for the relaxation rates of the electron–electron interaction and electron–phonon coupling is consistent with the results of electrical transport, which indicates the carrier dynamics of TI is highly related with carrier concentrations. We find that the carrier type and concentration of Bi₂Se₃ can be tuned by Li doping, leading to a metal-insulation transition at low temperatures (T ≤ 55 K), indicating that electron–electron interactions are dominant at low temperature. For T > 55 K, electron–phonon coupling in the bulk carriers becomes the main electric transport mechanism. Full article

This work presents the improvement of the electro-optical response of n-type crystalline silicon via dip-coated graphene oxide (GO) thin films. GO was deposited on Si/SiO₂ by immersion, and the resulting heterostructures were characterized by cyclic voltammetry measurements and Raman spectroscopy. Raman analysis revealed a slight but measurable broadening (~0.7 cm⁻¹) of the Si TO phonon mode at 514 cm⁻¹, indicating local interfacial strain. Cyclic voltammetry measurements showed a substantial increase in photocurrent in comparison to pristine silicon substrates. These effects are attributed to a GO-induced p-type inversion layer and enhanced interfacial charge transfer. The results suggest that GO can serve as a functional interfacial layer for improving silicon-based optoelectronic and photoelectrochemical devices. Full article

In this paper, the optical properties and lattice thermal conductivity of Ti₂AlB₂ were studied by first-principles calculations. The real part of the dielectric constant, ε₁, attains a significant value of 47.26 at 0.12 eV, indicating strong polarization capabilities and energy storage capacity. Regarding optical properties, Ti₂AlB₂ exhibits significant absorption peaks at photon energies of 4.19 eV, 6.78 eV, and 10.61 eV, and 14.32 eV, with absorption coefficients of 184,168.1 cm⁻¹, 228,860.8 cm⁻¹, 366,350.8 and 303,440.6 cm⁻¹, indicating a strong absorption capacity. The loss function exhibits peaks at 19.80 eV and the refractive index reaches a maximum of 8.30 at 0.01 eV. Reflectivity is notably higher in the 0–5 eV range, exceeding 44%, which demonstrates excellent reflective properties. This suggests that Ti₂AlB₂ has potential as an optical coating material across certain frequency bands. The lattice thermal conductivity of Ti₂AlB₂ is obtained at 27.2 W/(m·K). The phonon relaxation time is greater in the low-frequency region, suggesting that phonons have a longer duration of action during the heat transport process, which may contribute to higher thermal conductivity. Although the phonon group velocity is generally low, several factors influence thermal conductivity, including phonon relaxation time and Grüneisen parameters. The high Grüneisen parameter of Ti₂AlB₂ indicates strong anharmonic vibrations, which may enhance phonon scattering and consequently reduce thermal conductivity. However, Ti₂AlB₂ still exhibits some lattice thermal conductivity, suggesting that the contributions of phonon relaxation time and group velocity to its thermal conductivity may be more significant. The unique optical properties and thermal conductivity of Ti₂AlB₂ indicate its potential applications in optical coatings and high-temperature structural materials. Full article

Near-field imaging of the hybrid surface plasmon-phonon polaritons on the n-GaN semiconductor was performed using a scattering scanning near-field optical microscope at the selected frequencies of 920 cm⁻¹ and 570 cm⁻¹. The experimental measurements and numerical modeling data were in good agreement, revealing the large propagation distances on the n-GaN semiconductor and other insights which could be obtained by analyzing the dispersion characteristics of hybrid polaritons. In particular, the decay lengths of polaritons at the excitation frequency of 920 cm⁻¹ were measured to be up to 25 and 30 µm in experiment and theory, respectively. In the case of excitation at the frequency of 570 cm⁻¹, the surface plasmon-phonon polaritons’ decay distances were 25 µm and 105 µm, respectively, noting the limitations of the near-field optical microscope setups used. Dispersion characteristics of the resonant frequency and the damping rate of hybrid polaritons were numerically modeled and compared with the analytical calculations, validating the need for further experiment improvements. The launch conditions for the near-field observation of extraordinary coherence of the surface plasmon-phonon polaritons were also discussed. Full article

Silicon-based optical waveguides exhibit high Brillouin gain, enabling the realization of Brillouin lasers directly on silicon substrates. These lasers hold significant promise for applications such as tunable-frequency laser emission, ultrafast pulse generation via mode-locking techniques, and other advanced photonic functionalities. However, a key challenge in silicon-based Brillouin lasers is the requirement for long waveguide lengths to achieve sufficient optical feedback and reach the lasing threshold. This study proposes a novel floating waveguide architecture designed to significantly enhance the Brillouin gain in silicon-based systems. Furthermore, we introduce a breakthrough method for achieving wide-range phonon frequency tunability, enabling precise control over stimulated Brillouin scattering (SBS) dynamics. By strategically engineering the waveguide geometry (shape and dimensions), we demonstrate a tunable SBS phonon laser, offering a versatile platform for on-chip applications. Additionally, the proposed waveguide system features adjustable operating frequencies, unlocking new opportunities for compact Brillouin devices and integrated microwave photonic signal sources. Full article

The study of the excited-state properties of diamond is crucial for understanding its electronic structure and surface physicochemical properties, providing theoretical support for its applications in optoelectronic devices, quantum technologies, and catalysis. This research employs Density Functional Theory (DFT) with the fixed electron occupation method to simulate the electron excitation. Using the Generalized Gradient Approximation (GGA) within DFT, we systematically investigated the excited-state characteristics of diamond by simulating the transfer of a fraction of electrons from the Highest Occupied Crystal Orbital (HOCO) to the Lowest Unoccupied Crystal Orbital (LUCO). Theoretical calculations indicate that with increasing electron excitation levels, the diamond crystal structure transitions from cubic to tetragonal, accompanied by a gradual decrease in the bandgap. Mechanical property analysis reveals that both Young’s modulus and shear modulus decrease with increasing excitation rate, while the bulk modulus remains nearly constant. These findings indicate a significant impact of electronic excitation on the mechanical stability of diamond. Phonon dispersion curves exhibit reduced degeneracy in high-frequency optical branches and a marked decrease in crystal symmetry upon excitation. This study not only advances the understanding of diamond’s excited-state properties but also offers valuable theoretical insights into its structural evolution and performance tuning under such extreme conditions. Full article

This paper elaborates on the proposal of a new analytical model for a non-ballistic transport scenario for Schottky barrier carbon nanotube field effect transistors (SB-CNTFETs). The non-ballistic transport scenario depends on incorporating the effects of acoustic phonon (A-Ph) and optical phonon (O-Ph) electron scattering mechanisms. The analytical model is rooted in the solution of the Landauer integral equation, which is modified to account for non-ballistic transport through a set of approximations applied to the Wentzel–Kramers–Brillouin (WKB) transmission probability and the Fermi–Dirac distribution function. Our proposed model was simulated to evaluate the total current and transconductance, considering scenarios both with and without the electron–phonon scattering effect. The simulation results revealed a substantial decrease of approximately 78.6% in both total current and transconductance due to electron–phonon scattering. In addition, we investigated the impact of acoustic phonon (A-Ph) and optical phonon (O-Ph) scattering on the drain current under various conditions, including different temperatures, gate lengths, and nanotube chiralities. This comprehensive analysis helps in understanding how these parameters influence device performance. Compared with experimental data, the model’s simulation results demonstrate a high degree of agreement. Furthermore, our fully analytical model achieves a significantly faster runtime, clocking in at around 2.726 s. This validation underscores the model’s accuracy and reliability in predicting the behavior of SB-CNTFETs under non-ballistic conditions. Full article

A one-micron-thick pure zinc oxide (ZnO) and nitrogen-doped zinc oxide (N-ZnO) film were fabricated on p-type, pristine (non-porous), and porous gallium nitride (GaN) substrates using a radio frequency (RF) sputtering technique at room temperature. The doping medium was nitrogen gas, which has a flow rate that ranges from 0 to 10 sccm (0 sccm refers to pure ZnO). The photoelectrochemical etching process, using ultraviolet light, was employed to etch the wafer surface and create a porous GaN substrate. ZnO films were developed on GaN with ZnO powder as the target material under vacuum conditions. This research aimed to investigate how variations in substrate and doping influenced the structural, optical, and electrical characteristics of the resulting thin films. The SEM images indicated that the pores developed on the etched GaN surface had a spherical shape. The A₁ (LO) phonon peak at 750.2 cm⁻¹ was observed in the Raman spectrum of the etched porous GaN. The X-ray diffraction (XRD) analysis confirmed that the films grown on GaN possessed a hexagonal wurtzite structure and the observed peak shift of (101) in all N-ZnO films suggested interstitial nitrogen doping. For the N-ZnO films, the UV-visible cut-off wavelength shifted towards the blue region. The root mean square (RMS) roughness of the N-ZnO films, measured using atomic force microscopy (AFM), was found to decrease with an increasing N-doping concentration. The 10 sccm sample exhibited the lowest roughness value of 1.1 nm, whereas the pure ZnO film showed the highest roughness of 3.4 nm. The N-ZnO thin films were found to exhibit p-type conductivity, as computed by Hall measurements using the van der Pauw method, and the higher value of carrier concentration obtained for the nitrogen gas flow rate of 8 sccm was 5.29 × 10²¹ cm⁻³. Full article

The terahertz (THz) region of the electromagnetic spectrum, spanning from 0.1 to 30 THz, represents a prospering area in photonics, with transformative applications in imaging, communications, and material analysis. However, the development of efficient and compact THz sources has long been hampered by intrinsic material limitations, inefficient conversion processes, and complex phase-matching requirements. Recent breakthroughs in nonlinear optical mechanisms, resonant metasurface engineering, and advances in the fabrication processes for materials such as lithium niobate (LN) and aluminum gallium arsenide (AlGaAs) have paved the way for innovative THz generation techniques. This review article explores the latest theoretical advances, together with key experimental results and outlines perspectives for future developments. Full article

The electronic and phonon bands of Skaergaardite are investigated using density functional theory (DFT) as implemented in Quantum ESPRESSO. Skaergaardite is a copper palladium mineral (CuPd) found in the Skaergaard intrusion with a CsCl-type (B2) structure. Due to its porous structure, it presents a large surface area available for interactions, which makes it a promising catalyst. The PBE-GGA functional with a Hubbard-like localized term (DFT+U) is combined with ultrasoft and norm-conserving pseudopotentials, and a conventional approach with a dense Monkhorst–Pack grid of k-points 12 × 12 × 12 is applied. The electronic valence bands are mainly constituted by 3d orbitals of Cu and 4d orbitals of Pd and a pseudo-gap can be recognized. With respect to DFT, DFT+U causes a general downward shift in the valence band. The acoustic and optical phonon branches are separated by a few cm⁻¹ gap at about 150 cm⁻¹ and show a density of state curve typical of ordered materials. These results highlight the reliability of DFT+U in studying bimetallic systems with scarce experimental benchmarks, offering insights into the behavior of Skaergaardite and its potential applications in material science such as reduction reactions and hydrogen storage. Full article

The atomic structure, electronic, phonon, and optical properties of chalcogen helical chains (S, Se, Te) were studied using line symmetry groups and DFT calculations. The whole possible range of torsion deformations (from 0° to 180°), as well as the range of axial deformations (from 0.6 to 1.6) were considered. For the studied chains, the atomic and electronic structures at the energy minima were found. It was shown that for the considered chalcogen chains, the minimum of electronic energy is in the region of rotation angles ~103–107°. The electronic structure of all chains was considered in the helical Brillouin zone, which made it possible to trace its evolution up to the extreme torsional deformations: 0° (linear chain) and 180° (zigzag chain). A method for obtaining the dispersion of phonon states in the helical Brillouin zone has been developed based on the results of calculations by the CRYSTAL17 program. This allowed us to trace the evolution of phonon dispersion curves under torsion deformations up to their extreme values. Based on the known selection rules for helical polymers, the energies of optical, IR, and Raman transitions were obtained. This allows one to predict the optical properties of atomic chalcogen chains—both in a free state and inside carbon nanotubes. Full article

Despite extensive research on semiconductor materials, the influence of temperature and magnetic field on the optical quantum transitions within semiconductors remains insufficiently understood. We therefore investigated the Optical Quantum Transition Line Properties (OQTLP), including line shapes (LS) and line widths (LW), as functions of temperature and magnetic field in electron–piezoelectric-phonon-interacting systems within semiconductor materials. A theoretical framework incorporating projection-based equations and equilibrium average projection was applied to GaAs and CdS. Similarly, LW generally increases with magnetic field in a square-well confinement potential across most temperature regions. However, in high magnetic fields at low temperatures, LW decreases for GaAs. Additionally, LW increases with rising temperature. We also compare the LW and LS for transitions within intra- and inter-Landau levels to analyze the quantum transition process. The results indicate that intra-Landau level transitions primarily dominate the temperature dependence of quantum transitions in GaAs and CdS. Full article