The functionalization of solid‐state materials through magnetic doping improves the electronic and chemical properties, such as diluted magnetic materials. The application of functional materials in new devices depends on bandgap modulation and on correlations with the dopant configuration in the lattice. The Density Functional Theory/B3LYP investigation was performed on ZnO material with Ni doping at 6% and 12% concentrations to evaluate the possibility of magnetic engineering by modulating the ground magnetic state via the Ni–Ni distance, controlled by the super‐exchange effect. Ni‐doping is thermodynamically stable upon formation and favors Ni aggregation with low Ni–Ni distances from the entropic factor. Magnetic doping in the material provides important chemical properties, such as a reduction in the band gap and, consequently, the activation of optical properties. Also, quantum models indicate that the modulation between the magnetic state and the band gap is indicative of optical–magnetic coupling, which short Ni–Ni distances favor antiferromagnetic ordering, while long distances favor the ferromagnetic ordering. This changes the material's catalytic behavior, improving reactive oxygen species formation and H evolution.

Gallium oxide (Ga 2 O 3 ) is an emerging semiconductor for high‐power electronics, but its low thermal conductivity, lack of viable p‐type doping, and limited carrier mobility restrict device performance and prevent high‐speed applications. This work presents a novel strategy to simultaneously mitigate the thermal and transport limitations of Ga 2 O 3 through heterojunctions with III‐nitride materials. Owing to their higher thermal conductivity and strong polarization fields, III‐nitrides can enhance heat dissipation and enable high‐density two‐dimensional electron gases (2DEGs) at the heterointerface, improving switching speed. The role of spontaneous and piezoelectric polarization in 2DEG formation is systematically examined. It is shown that Al‐polar AlN/ β ‐Ga 2 O 3 heterojunctions do not support 2DEG formation due to hole accumulation at the interface, whereas N‐polar AlN/ β ‐Ga 2 O 3 heterostructures are identified as promising candidates for high 2DEG densities. The band alignment of the AlN/ β ‐Ga 2 O 3 interface is also investigated. Additionally, κ ‐Ga 2 O 3 , recently identified as ferroelectric with strong polarization, is explored in κ ‐Ga 2 O 3 /AlGaN heterostructures. Using epitaxial layer and strain engineering, electron mobilities up to 691 cm 2 V −1 s −1 at 77 K were achieved in MOCVD‐grown κ ‐Ga 2 O 3 /N‐polar AlGaN/AlN heterostructures. These results highlight the potential of III‐nitride/Ga 2 O 3 heterostructures for high‐power and radiofrequency device applications with enhanced performance and efficiency.

Here we reporting the structural, optical, magnetic and dielectric properties of PrFeO 3 (PFO) and Pr 0.925 Ce 0.025 Nd 0.025 Sm 0.025 Fe 0.95 Ti 0.025 Mn 0.025 O 3 (PCNSFTMO) nanomaterials, which were prepared via sol–gel method. The synthesized nanomaterials exhibited a single‐phase with a crystal structure of an orthorhombic phase with space group Pbnm , which was confirmed through powder X‐ray diffraction (XRD) studies. Rietveld refinement was further confirmed for the formation of single phase without any detectable impurities in the synthesized nanomaterials. Transmission electron microscopy (TEM) images show that the average particle size was 56 nm for PFO and 41 nm for PCNSFTMO. The higher optical bandgap of PCNSFTMO nanomaterials when compared to PFO nanomaterial was explained through the electronegative difference between the O (oxygen) and the metal atom at the B‐site. The calculated saturation magnetization (Ms) values for PCNSFTMO were 3.91 emu/g, which is nearly double that of PFO nanomaterials. The dielectric constant and dielectric loss of PCNSFTMO and PFO at different temperatures was also studied. These results clearly indicating that the PCNSFTMO nanomaterials could be a better candidate than that of PFO nanomaterials for usage of different applications.

This study explored the structural, mechanical, and thermodynamic properties of cubic ternary LiXAl 2 (X = Ni, Pd) compounds through an ab initio study under elevated pressures. The investigated compounds crystallize in the cubic phase with the space group Fm m (No. 225). The structural properties exhibit cubic phase stability under compression with the help of negative formation energy and third‐order Birch–Murnaghan EOS. The computed elastic constants satisfy the Born stability criteria, which establish the mechanical stability of the compounds for elevated pressures. The computed Cauchy's pressure, Pugh's ratio, and Poisson's ratio values satisfied LiXAl 2 (X = Ni, Pd) compounds having a brittle nature. The increasing elastic moduli and high melting temperature illustrate the compound's significant mechanical strength, stiffness, and thermal stability under high pressures. LiXAl 2 (X = Ni, Pd) has no imaginary phonon frequencies, indicating dynamic stability. The high Debye temperature and strong thermodynamic behavior indicate stability at high temperatures, making it potentially suitable for thermoelectric and energy applications.

It is known that chalcogenide glasses such as Se and As 2 S 3 exhibit transitory volume expansion under light excitation. We consider its mechanism through numerical analyses, the result being interpreted using simple ideas. Ab initio molecular‐orbital calculations reveal that one‐dimensional H– n S(Se)–H chains ( n = 2–14) and crown‐shaped S/Se rings, when excited, undergo marked atomic changes; bond‐distance lengthening and angular widening, which could work as essential origins of the macroscopic photoexpansion. We grasp these changes, taking Mulliken‐charge variations under excitation into account, as exciton self‐trapping (polaronic) effects in molecular wires. The photoexpansion may be universal to one(or low)‐dimensional systems.

This article designs a novel frequency selective surface (FSS) microwavemetamaterial absorber with a fourfold rotational symmetry structure to tackle the challenges of narrow absorption bandwidth and large thickness in metamaterial absorbers. The surface of this absorber is composed of conductive paste, with its intermediate layer being a dual‐layer structure of SiO 2 and Al 2 O 3 . Simulation and optimization results demonstrate that due to the combined effects of ohmic loss and resonance loss, the metamaterial absorber achieves a reflection loss (RL) of less than −10 dB over the X and Ku bands (8–18 GHz) with a thickness/bandwidth ratio of 0.266. The measured RL of the fabricated absorber matches well with the simulation results. This FSS metamaterial absorber thus provides an effective solution for reducing the thickness and weight of radar‐absorbing materials for the X and Ku bands in the field of electromagnetic stealth.

First‐principles computations have been performed to examine the physical attributes of CoAsX (X = Ti, Zr, Hf) ternary compounds. The calculations have been conducted using density functional theory‐based WIEN2K package. To better corroborate the outcomes, the generalized gradient approximation of Perdew–Burke–Ernzerhof and the modified Becke–Johnson of Tran Blaha have been employed. Titled compounds exhibit the structural, dynamical, and mechanical stability with optimized lattice constants 5.988 Å, 6.260 Å, and 5.789 Å. The calculated formation energies support the experimental synthesis of these compounds. The electronic properties, including the band structure and density of states, indicate the semiconducting nature of CoAsX (X = Ti, Zr, Hf) compounds. Furthermore, the optical attributes unveil that the compounds have comparatively low reflectivity and good absorbance in the visible to UV range. These unique characteristics render them suitable for coatings with antireflective properties on optical equipment along with solar panels for enhancing light absorption. The crystal orbital Hamilton population analysis revealed the strongest bonding in X–Co coupling. The CoAsX compounds have a lot of intriguing possibilities in optoelectronics including photodetectors, photovoltaics, and as automotive photoswitches.

Dysprosium‐doped bismuth borosilicate glasses with and without gold nanoparticles were synthesized via the conventional melt‐quenching technique to investigate the influence of AuNP incorporation on their structural and optical properties. The amorphous nature of the as‐prepared glasses was confirmed by X‐ray diffraction (XRD), and Fourier‐transform infrared analysis revealed characteristic borate and silicate groups. The UV–vis absorption spectra demonstrated distinct surface plasmon resonance features in the AuNP‐doped sample, indicating successful nanoparticle incorporation within the glass matrix. The prepared glasses were further heat‐treated to obtain corresponding glass ceramics, and the formation of crystalline phases was verified by XRD analysis. The photoluminescence studies of glass and glass–ceramic samples showed intense emission bands corresponding to Dy 3+ transitions, with a significant enhancement in luminescence intensity. The improvement is attributed to localized surface plasmon–enhanced energy transfer between Dy 3+ ions and gold nanoparticles, as well as to structural ordering in the crystalline phase. These findings suggest that Dy 3+ ‐doped bismuth borosilicate glasses and glass ceramics containing AuNPs are promising candidates for photonic and optoelectronic device applications due to their improved emission characteristics and thermal stability.

A novel perforated honeycomb structure (PHS) was proposed by perforating the cell walls of the regular hexagonal honeycomb structure (RHHS) along the out‐of‐plane direction. Theoretical models for the in‐plane elastic constants of the PHS were established based on a simple energy approach with fully considering the stretching, shearing, and bending of the cell walls, as well as the secondary bending moment due to shear. Finite element (FE) simulations and experiments were carried out to verify the theoretical models, demonstrating an excellent agreement. The effects of geometrical parameters, such as the ratio of circular hole diameter to cell wall thickness ( D / t ) and circular hole numbers ( n ), on the in‐plane elastic properties of the PHS were further analyzed. A comparison of the in‐plane stiffness of the RHHS and the PHS under the same relative density was presented. The stress distribution in the structures under uniaxial compression and shear loading was also fully discussed. The results show that the PHS exhibits greater in‐plane specific stiffness than the RHHS. Furthermore, the perforation design strategy proposed can significantly reduce the peak stress, thereby reducing the stress concentration. Remarkably, the perforated design proposed is applicable to all two‐dimensional honeycomb structures.