The relevance of point defects in studying silica-based materials from bulk to nanosystems

The macroscopic properties of silica can be modified by the presence of local microscopic modifications at the scale of the basic molecular units (point defects). Such defects can be generated during the production of glass, devices, or by the environments where the latter have to operate, impacting on the devices’ performance. For these reasons, the identification of defects, their generation processes, and the knowledge of their electrical and optical features are relevant for microelectronics and optoelectronics. The aim of this manuscript is to report some examples of how defects can be generated, how they can impact device performance, and how a defect species or a physical phenomenon that is a disadvantage in some fields can be used as an advantage in others

Advanced physical modeling of SiOx resistive random access memories

We apply a three-dimensional (3D) physical simulator, coupling self-consistently stochastic kinetic Monte Carlo descriptions of ion and electron transport, to investigate switching in silicon-rich silica (SiOx) redox-based resistive random-access memory (RRAM) devices. We explain the intrinsic nature of resistance switching of the SiOx layer, and demonstrate the impact of self-heating effects and the initial vacancy distributions on switching. We also highlight the necessity of using 3D physical modelling to predict correctly the switching behavior. The simulation framework is useful for exploring the little-known physics of SiOx RRAMs and RRAM devices in general. This proves useful in achieving efficient device and circuit designs, in terms of performance, variability and reliability

Structure and energetics of the Si-SiO_2 interface

Silicon has long been synonymous with semiconductor technology. This unique role is due largely to the remarkable properties of the Si-SiO_2 interface, especially the (001)-oriented interface used in most devices. Although Si is crystalline and the oxide is amorphous, the interface is essentially perfect, with an extremely low density of dangling bonds or other electrically active defects. With the continual decrease of device size, the nanoscale structure of the silicon/oxide interface becomes more and more important. Yet despite its essential role, the atomic structure of this interface is still unclear. Using a novel Monte Carlo approach, we identify low-energy structures for the interface. The optimal structure found consists of Si-O-Si "bridges" ordered in a stripe pattern, with very low energy. This structure explains several puzzling experimental observations.Comment: LaTex file with 4 figures in GIF forma

A microscopic mechanism of dielectric breakdown in SiO2 films: An insight from multi-scale modeling

Despite extensive experimental and theoretical studies, the atomistic mechanisms responsible for dielectric breakdown (BD) in amorphous (a)-SiO2 are still poorly understood. A number of qualitative physical models and mathematical formulations have been proposed over the years to explain experimentally observable statistical trends. However, these models do not provide clear insight into the physical origins of the BD process. Here we investigate the physical mechanisms responsible for dielectric breakdown in a-SiO2 using a multi-scale approach where the energetic parameters derived from a microscopic mechanism are used to predict the macroscopic degradation parameters of BD, i.e. time-dependent dielectric breakdown (TDDB) statistics, and its voltage dependence. Using this modeling framework, we demonstrate that trapping of two electrons at intrinsic structural precursors in a-SiO2 is responsible for a significant reduction of the activation energy for Si-O bond breaking. This results in a lower barrier for the formation of O vacancies and allows us to explain quantitatively the TDDB data reported in the literature for relatively thin (3-9nm) a-SiO2 oxide films

MasterChem: Cooking 2D-polymers

2D-polymers are still dominated by graphene and closely related materials such as boron nitride, transition metal sulphides and oxides. However, the rational combination of molecules with suitable design is already showing the high potential of chemistry in this new research field. The aim of this feature article is to illustrate, and provide some perspectives, the current state-of-the-art in the field of synthetic 2D-polymers showing different alternatives to prepare this novel type of polymers based on the rational use of chemistry. This review comprises a brief revision of the essential concepts, the strategies of preparation following the two general approaches, bottom-up and top-down, and a revision of the promising seminal properties showed by some of these nanomaterials.Financial support from Spanish MINECO (MAT2013-46753-C2-1-P and MAT2013-46502-C2-2-P). D. R. thanks the Spanish MECD for a FPU gran

Simulation of nanostructure-based high-efficiency solar cells: challenges, existing approaches and future directions

Many advanced concepts for high-efficiency photovoltaic devices exploit the peculiar optoelectronic properties of semiconductor nanostructures such as quantum wells, wires and dots. While the optics of such devices is only modestly affected due to the small size of the structures, the optical transitions and electronic transport can strongly deviate from the simple bulk picture known from conventional solar cell devices. This review article discusses the challenges for an adequate theoretical description of the photovoltaic device operation arising from the introduction of nanostructure absorber and/or conductor components and gives an overview of existing device simulation approaches.Comment: Invited paper, accepted for publication in IEEE Journal of Selected Topics in Quantum Electronic

CVD-grown monolayer MoS2 in bioabsorbable electronics and biosensors

Transient electronics entails the capability of electronic components to dissolve or reabsorb in a controlled manner when used in biomedical implants. Here, the authors perform a systematic study of the processes of hydrolysis, bioabsorption, cytotoxicity and immunological biocompatibility of monolayer MoS2