Lucian Ion

Ab initio molecular dynamics simulations of Ca _n @C ₆₀ ( n = 1, 2, 3, 4) endohedral fullerenes indicate a correlated movement of the Ca atoms. The dynamical properties are recovered using a mapped force field by artificial neural networks.

The main objective of this study was to determine the variation in the properties of cadmium telluride (CdTe) thin films deposited on a p-type Si substrate by the radio frequency magnetron sputtering technique at four different working powers (70 W, 80 W, 90 W, and 100 W). The substrate temperature, working pressure, and deposition time during the deposition process were kept constant at 220 °C, 0.46 Pa, and 30 min, respectively. To study the structural, morphological, and optical properties of the CdTe films grown under the mentioned experimental conditions, X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and optical spectroscopy were used. For a better analysis of the films’ structural and optical properties, a group of films were deposited onto optical glass substrates under similar deposition conditions. The electrical characterisation of Ag/CdTe/Al “sandwich” structures was also performed using current–voltage characteristics in the dark at different temperatures. The electrical measurements allowed the identification of charge transport mechanisms through the structure. New relevant information released by the present study points towards 90 W RF power as the optimum for obtaining a high crystallinity of ~1 μm nanostructured thin films deposited onto p-Si and optical glass substrates with optical and electrical properties that are suitable for use as absorber layers. The obtained high-quality CdTe nanostructured thin films are perfectly suitable for use as absorbers in CdTe thin-film photovoltaic cells.

Interconnecting nanodevices with the aim of assembling quantum computing architectures is one of the current outstanding challenges. At the nanoscale, the quantum interconnects become comparable in complexity with the active devices and should be treated on equal footing. In addition, they can play an active role in the switching properties. Here, we investigate the charge localization in neuromorphic bi-dimensional systems, which serve as quantum interconnects (QIs) between quantum dot registers. We define a device structure where, by manipulating the charging of a floating gate array, one defines the QI potential map, which can host a few interacting electrons. The ground state charge density may be extracted by measuring the tunneling current perpendicular to the device surface, yielding a convoluted image of the electron distribution. Using image-to-image translation methods, we achieve the mapping of the charge density from the confinement potential, as well as by deconvoluting the tunneling current map, which can be obtained by a direct measurement. Thus, we provide a proof-of-concept for a reconfigurable device, which can be used to design quantum many-electron devices.

Accurate and efficient tools for calculating the ground state properties of interacting quantum systems are essential in the design of nanoelectronic devices. The exact diagonalization method fully accounts for the Coulomb interaction beyond mean field approximations and it is regarded as the gold-standard for few electron systems. However, by increasing the number of instances to be solved, the computational costs become prohibitive and new approaches based on machine learning techniques can provide a significant reduction in computational time and resources, maintaining a reasonable accuracy. Here, we employ pix2pix, a general-purpose image-to-image translation method based on conditional generative adversarial network (cGAN), for predicting ground state densities from randomly generated confinement potentials. Other mappings were also investigated, like potentials to non-interacting densities and the translation from non-interacting to interacting densities. The architecture of the cGAN was optimized with respect to the internal parameters of the generator and discriminator. Moreover, the inverse problem of finding the confinement potential given the interacting density can also be approached by the pix2pix mapping, which is an important step in finding near-optimal solutions for confinement potentials.

Zinc selenide (ZnSe) thin films were deposited by RF magnetron sputtering in specific conditions, onto optical glass substrates, at different RF plasma power. The prepared ZnSe layers were afterwards subjected to a series of structural, morphological, optical and electrical characterizations. The obtained results pointed out the optimal sputtering conditions to obtain ZnSe films of excellent quality, especially in terms of better optical properties, lower superficial roughness, reduced micro-strain and a band gap value closer to the one reported for the ZnSe bulk semiconducting material. Electrical characterization were afterwards carried out by measuring the current–voltage (I-V) characteristics at room temperature, of prepared “sandwich”-like Au/ZnSe/Au structures. The analysis of I-V characteristics have shown that at low injection levels there is an Ohmic conduction, followed at high injection levels, after a well-defined transition voltage, by a Space Charge Limited Current (SCLC) in the presence of an exponential trap distribution in the band gap of the ZnSe thin films. The results obtained from all the characterization techniques presented, demonstrated thus the potential of ZnSe thin films sputtered under optimized RF plasma conditions, to be used as alternative environmentally-friendly Cd-free window layers within photovoltaic cells manufacturing.

Zinc telluride thin films with different thicknesses were grown onto glass substrates by the rf magnetron sputtering technique, using time as a variable growth parameter. All other deposition process parameters were kept constant. The deposited thin films with thickness from 75 to 460 nm were characterized using X-ray diffraction, electron microscopy, atomic force microscopy, ellipsometry, and UV-Vis spectroscopy, to evaluate their structures, surface morphology, topology, and optical properties. It was found out that the deposition time increase leads to a larger growth rate. This determines significant changes on the ZnTe thin film structures and their surface morphology. Characteristic surface metrology parameter values varied, and the surface texture evolved with the thickness increase. Optical bandgap energy values slightly decreased as the thickness increased, while the mean grains radius remained almost constant at ~9 nm, and the surface to volume ratio of the films decreased by two orders of magnitude. This study is the first (to our knowledge) that thoroughly considered the correlation of film thickness with ZnTe structuring and surface morphology characteristic parameters. It adds value to the existing knowledge regarding ZnTe thin film fabrication, for various applications in electronic and optoelectronic devices, including photovoltaics.

Inspired by the problem of elastic wave scattering on wrinkled interfaces, we studied the scattering of ballistic electrons on a wrinkled potential energy region. The electron transmission coefficient depends on both wrinkle amplitude and periodicity, having different behaviors for positive and negative scattering potential energies. For scattering on potential barriers, minibands appear in electron transmission, as in superlattices, whereas for scattering on periodic potential wells the transmission coefficient has a more complex form. Besides suggesting that tuning of electron transmission is possible by modifying the scattering potential via voltages on wrinkled gate electrodes, our results emphasize the analogies between ballistic electrons and elastic waves even in scattering problems on non-typical configurations.

A model has been constructed in order to study the effects of quantum confinement on the electron population on tapered conductive sheets. A two-dimensional rounded nanocone was considered for this study and the Schrödinger equation was solved analytically on the entire system. The average number of electrons on the tip region was shown to be strongly influenced by the geometrical parameters of the system, such as the tip and base radius and the overall length. Field emission from such structures was also investigated using a simple one-dimensional Wentzel–Kramers–Brillouin approximation. The limitations on the electron population imposed by the strong quantum confinement at the tip region will have important consequences on the field emission current obtained from these structures.