Formation of partially embedded Au nanostructures: Ion beam irradiation on thin film.

The Au partially embedded nanostructure (PEN) is synthesized by ion irradiation on an Au thin film deposited on a glass substrate using a 50 keV Ar ion. Scanning electron microscopy results show ion beam-induced restructuring from irregularly shaped nanostructures (NSs) to spherical Au NSs, and further ion irradiation leads to the formation of well-separated spherical nanoparticles. Higuchi's algorithm of surface analysis is utilized to find the evolution of surface morphology with ion irradiation in terms of the Hurst exponent and fractal dimension. The Au PEN is evidenced by Rutherford backscattering spectrometry and optical studies. Also, the depth of the mechanism behind synthesized PEN is explained on the basis of theoretical simulations, namely, a unified thermal spike and a Monte Carlo simulation consisting of dynamic compositional changes (TRIDYN). Another set of plasmonic NSs was formed on the surface by thermal annealing of the Au film on the substrate. Glucose sensing has been studied on the two types of plasmonic layers: nanoparticles on the surface and PEN. The results reveal the sensing responses of both types of plasmonic layers. However, PEN retains its plasmonic behavior as the NSs are still present after washing with water, which demonstrates the potential for reusability. RESEARCH HIGHLIGHTS: Synthesis of PENs by ion irradiation Utilization of Higuchi's algorithm to explore the surface morphology. Unified thermal spike and TRIDYN simulations being used to explain the results. Glucose is only used as a test case for reusability of substrate.

Investigating ripple pattern formation and damage profiles in Si and Ge induced by 100 keV Ar+ ion beam: a comparative study.

Desired modifications of surfaces at the nanoscale may be achieved using energetic ion beams. In the present work, a complete study of self-assembled ripple pattern fabrication on Si and Ge by 100 keV Ar+ ion beam bombardment is discussed. The irradiation was performed in the ion fluence range of ≈3 × 1017 to 9 × 1017 ions/cm2 and at an incident angle of θ ≈ 60° with respect to the surface normal. The investigation focuses on topographical studies of pattern formation using atomic force microscopy, and induced damage profiles inside Si and Ge by Rutherford backscattering spectrometry and transmission electron microscopy. The ripple wavelength was found to scale with ion fluence, and energetic ions created more defects inside Si as compared to that of Ge. Although earlier reports suggested that Ge is resistant to structural changes upon Ar+ ion irradiation, in the present case, a ripple pattern is observed on both Si and Ge. The irradiated Si and Ge targets clearly show visible damage peaks between channel numbers (1000-1100) for Si and (1500-1600) for Ge. The clustering of defects leads to a subsequent increase of the damage peak in irradiated samples (for an ion fluence of ≈9 × 1017 ions/cm2) compared to that in unirradiated samples.

Lead-free alternative cation (Ethylammonium) in organometallic perovskites for thermoelectric applications.

CONTEXT: Hybrid halide perovskites are gaining prominence as a promising option in the advancement of photovoltaic devices. Ethylammonium-based hybrid halide perovskites have demonstrated impressive characteristics, such as a reduced band gap, enhanced stability, and non-toxic properties. In this study, we have explored the structural, electronic, optical, and thermoelectric characteristics of Ethylammonium tin chloride. We have found that Ethylammonium tin chloride (EASnCl3) is a direct wide band gap semiconductor. Additionally, we conducted calculations for various optical parameters, including the dielectric function, absorption coefficient, and refractive index, across a photon energy spectrum ranging from 0 to 7 eV. The research highlights the exceptional qualities of EASnCl3, which exhibits a high absorption coefficient and an elevated Seeback coefficient, among other favorable attributes. These findings position it as a promising material for cost-effective photovoltaic device applications, addressing concerns related to environmental stability. METHODS: Fundamental properties based on the full-potential linearized augmented plane wave (FP-LAPW) method, this computation was performed using the WIEN2k simulation code. We utilized the exchange-correlation potentials PBE-GGA and KTB-mBJ to compute the optimized structure, density of states, and band structure of the material. In order to calculate the thermoelectric properties of the material, the Boltztrap simulation tool has been used. There are several critical absorbance parameters, including the Seeback coefficient, figure of merit, power factor, electrical conductivity, and thermal conductivity, concerning their carrier concentration and chemical potential, that have been taken into consideration.

Modeling and simulation of multifaceted properties of X2NaIO6 (X = Ca and Sr) double perovskite oxides for advanced technological applications.

CONTEXT: In this study, the authors have investigated the structural, optoelectronic, thermoelectric, and thermodynamic properties of Ca2NaIO6 and Sr2NaIO6 double perovskite oxides. Both materials exhibit semiconductor behavior with direct band gaps (Eg) of 0.353 eV and 0.263 eV, respectively. Optical parameters like absorption coefficient α(ω), reflectivity R(ω), dielectric constants, and refractive index have been calculated. The most notable absorption peaks are identified at 5.52 eV (equal to 108.33 × 104 cm-1) in the case of Ca2NaIO6 and at 11.16 eV (equivalent to 118.17 × 104 cm-1) for Sr2NaIO6. These findings suggest a promising outlook for applications in optoelectronics. Moreover, their commendably low thermal conductivity and a high figure of merit, particularly at low temperatures (100 K), indicate their effectiveness as thermoelectric materials. This analysis underscores that these materials hold potential as suitable candidates for n-type doping, making them well-suited for use in thermoelectric devices. Studying thermal properties, including thermal expansion, bulk modulus, acoustic Debye temperature, entropy, and heat capacity, contributes to understanding the materials' thermodynamic stability. The titled materials are dynamically stable. The analysis of these double perovskite materials highlights their potential across various technological applications due to their advantageous structural, electronic, optical, and transport properties, offering new possibilities in material science and technology development. METHODS: The study utilized the full potential linearized augmented plane wave (FP-LAPW) method in conjunction with density functional theory within the WIEN2k simulation code. This approach is widely recognized as one of the most dependable methods for evaluating the photovoltaic characteristics of semiconducting perovskites. The thermoelectric properties were ascertained using the rigid band approach and the constant scattering time approximation, both implemented in the BoltzTraP computational code.

Electronic structure, theoretical power conversion efficiency, and thermoelectric properties of bismuth-based alkaline earth antiperovskites.

CONTEXT: This research paper investigates the properties and potential applications of antiperovskite materials. Antiperovskites are a class of materials with a unique crystal structure, where the central atom is surrounded by a cage of anions. We review recent research on antiperovskite-based materials for energy storage, photovoltaics, catalysis, and sensors. We discovered that these materials display direct band gap semiconductors, strong absorption in the visible (VIS), ultra-violet (UV), and near infrared regions (NIR) based on their fundamental features, which is the most admirable quality that may be found in many optoelectronic devices. Both mechanical and thermodynamic stability have been confirmed for these materials. We discovered that these materials exhibit high figures of merit through the calculation of transport properties, which makes them a promising candidate for thermoelectric devices. It is anticipated that the proposed material BiPMg3, which has a theoretical efficiency of 11.5%, will make a suitable photovoltaic absorber. This paper highlights the potential of these materials for future technological advancements. METHODS: Herein, we have used most authentic techniques to compute fundamental physical properties of these antiperovskites. Full-potential linear augmented plane wave (FP-LAPW) method has been used to investigate electronic, magnetic, optical properties, and make antiperovskites attractive for a variety of applications. In light of its implementation, we have checked the theoretical power conversion efficiency by first principles spectroscopic screening methodology, and inspect the fundamental physical parameters of antiperovskites, focusing on their potential as functional materials for energy and information technologies.

Fractal characterizations of MeV ion treated CaF2 thin films.

We present the morphological evolution and fractal characterizations of CaF2 thin-film surfaces modified by bombardment with 100 MeV Au+8 ions at various fluences. Atomic force microscopy (AFM) combined with line profile and two-dimensional power spectral density (2D-PSD) analysis was utilized to investigate the evolution of surface morphology as a function of fluence. The AFM images were utilized to investigate the relationship between fractal dimension, roughness exponent, lateral correlation length, and ion fluence. The surface erosion owing to sputtering was depicted using Rutherford backscattering spectrometry. The structural characteristics' dependency on fluence was explored with the help of glancing angle x-ray diffraction measurements on virgin and irradiated samples. Tensile stress calculated using a peak shift in the glancing angle x-ray diffractogram showed an increase in tensile stress with fluence that caused the surface to crack after the fracture strength of the surface was crossed. 2D-PSD analysis signified the role of sputtering over surface diffusion for the observed surface modifications. Fractal dimensions first increased and then decreased with ion fluence. The lateral correlation length decreased, while the roughness exponent increased with fluence after the threshold value.

Silicon photonics interfaced with microelectronics for integrated photonic quantum technologies: a new era in advanced quantum computers and quantum communications?

Silicon photonics is rapidly evolving as an advanced chip framework for implementing quantum technologies. With the help of silicon photonics, general-purpose programmable networks with hundreds of discrete components have been developed. These networks can compute quantum states generated on-chip as well as more extraordinary functions like quantum transmission and random number generation. In particular, the interfacing of silicon photonics with complementary metal oxide semiconductor (CMOS) microelectronics enables us to build miniaturized quantum devices for next-generation sensing, communication, and generating randomness for assembling quantum computers. In this review, we assess the significance of silicon photonics and its interfacing with microelectronics for achieving the technology milestones in the next generation of quantum computers and quantum communication. To this end, especially, we have provided an overview of the mechanism of a homodyne detector and the latest state-of-the-art of measuring squeezed light along with its integration on a photonic chip. Finally, we present an outlook on future studies that are considered beneficial for the wide implementation of silicon photonics for distinct data-driven applications with maximum throughput.

Ion beam-generated surface ripples: new insight in the underlying mechanism.

A new hydrodynamic mechanism is proposed for the ion beam-induced surface patterning on solid surfaces. Unlike the standard mechanisms based on the ion beam impact-generated erosion and mass redistribution at the free surface (proposed by Bradley-Harper and its extended theories), the new mechanism proposes that the incompressible solid flow in amorphous layer leads to the formation of ripple patterns at the amorphous-crystalline (a/c) interface and hence at the free surface. Ion beam-stimulated solid flow inside the amorphous layer probably controls the wavelength, whereas the amount of material transported and re-deposited at a/c interface control the amplitude of ripples.

Role of surface composition in morphological evolution of GaAs nano-dots with low-energy ion irradiation.

The surface chemistry of GaAs (100) with 50-keV Ar+ ion beam irradiation at off-normal incidence has been investigated in order to elucidate the surface nano-structuring mechanism(s). Core level and valence band studies of the surface composition were carried out as a function of fluences, which varied from 1 × 1017 to 7 × 1017 ions/cm2. Core-level spectra of samples analyzed by X-ray photoelectron spectroscopy confirmed the Ga enrichment of the surface resulting in bigger sized nano-dots. Formation of such nano-dots is attributed to be due to the interplay between preferential sputtering and surface diffusion processes. Valence band measurement shows that the shift in the Fermi edge is higher for Ga- rich, bigger sized nano-dots due to the partial oxide formation of Ga. 'One-dimensional power spectral density' extracted from atomic force micrographs also confirms the significant role of surface diffusion in observed nano-structuring.

Anomalous structure and dynamics of the Gaussian-core fluid.

It is known that there are thermodynamic states for which the Gaussian-core fluid displays anomalous properties such as expansion upon isobaric cooling (density anomaly) and increased single-particle mobility upon isothermal compression (self-diffusivity anomaly). Here, we investigate how temperature and density affect its short-range translational structural order, as characterized by the two-body excess entropy. We find that there is a wide range of conditions for which the short-range translational order of the Gaussian-core fluid decreases upon isothermal compression (structural order anomaly). As we show, the origin of the structural anomaly is qualitatively similar to that of other anomalous fluids (e.g., water or colloids with short-range attractions) and is connected to how compression affects static correlations at different length scales. Interestingly, we find that the self-diffusivity of the Gaussian-core fluid obeys a scaling relationship with the two-body excess entropy that is very similar to the one observed for a variety of simple liquids. One consequence of this relationship is that the state points for which structural, self-diffusivity, and density anomalies of the Gaussian-core fluid occur appear as cascading regions on the temperature-density plane; a phenomenon observed earlier for models of waterlike fluids. There are, however, key differences between the anomalies of Gaussian-core and waterlike fluids, and we discuss how those can be qualitatively understood by considering the respective interparticle potentials of these models. Finally, we note that the self-diffusivity of the Gaussian-core fluid obeys different scaling laws depending on whether the two-body or total excess entropy is considered. This finding, which deserves more comprehensive future study, appears to underscore the significance of higher-body correlations for the behavior of fluids with bounded interactions.