The electronic properties of epitaxial graphene grown on SiC have shown its potential as a viable candidate for post-CMOS electronics. However, progress in this field requires a detailed understanding of both the structure and growth of epitaxial graphene. To that end, this review will focus on the current state of epitaxial graphene research as it relates to the structure of graphene grown on SiC. We pay particular attention to the similarity and differences between graphene growth on the two polar faces, (0001) and , of hexagonal SiC. Growth techniques, subsequent morphology and the structure of the graphene/SiC interface and graphene stacking order are reviewed and discussed. Where possible the relationship between film morphology and electronic properties will also be reviewed.

https://iopscience.iop.org/article/10.1088/0953-8984/20/32/323202/pdf

The growth and morphology of epitaxial multilayer graphene

Plasma-based techniques offer many unique possibilities for the synthesis of various nanostructures both on the surface and in the plasma bulk. In contrast to the conventional chemical vapor deposition and some other techniques, plasma-based processes ensure high level of controllability, good quality of the produced nanomaterials, and reduced environmental risk. In this work, the authors briefly review the unique features of the plasma-enhanced chemical vapor deposition approaches, namely, the techniques based on inductively coupled, microwave, and arc discharges. Specifically, the authors consider the plasmas with the ion/electron density ranging from 1010 to 1014 cm−3, electron energy in the discharge up to ∼10 eV, and the operating pressure ranging from 1 to 104 Pa (up to 105 Pa for the atmospheric-pressure arc discharges). The operating frequencies of the discharges considered range from 460 kHz for the inductively coupled plasmas, and up to 2.45 GHz for the microwave plasmas. The features of the direct-current arc discharges are also examined. The authors also discuss the principles of operation of these systems, as well as the effects of the key plasma parameters on the conditions of nucleation and growth of the carbon nanostructures, mainly carbon nanotubes and graphene. Advantages and disadvantages of these plasma systems are considered. Future trends in the development of these plasma-based systems are also discussed.

Low-temperature plasmas in carbon nanostructure synthesis

A computational study of organic thin-film growth using a combination of ab initio based energy calculations and kinetic Monte Carlo (KMC) simulations is provided. A lattice-based KMC model is used in which binding energies determine the relative rates of diffusion of the molecules. This KMC approach is used to present "landscapes" or "maps" that illustrate the possible structural outcomes of growing a thin film of small organic molecules, represented as a two-site dimer, on a substrate in which the strength of organic-substrate interactions is allowed to vary. KMC provides a mesoscopic-scale view of sub-monolayer deposition of organic thin films on model substrates, mapped out as a function of the flux of depositing molecules and the temperature of the substrate. The morphology of the crystalline thin films is shown to be a strong function of the molecule-molecule and molecule-substrate interactions. A rich variety of maps is shown to occur in which the small organic molecules either stand up or lie down in a variety of different patterns depending on the nature of the binding to the surface. In this way, it is possible to suggest how to tailor the substrate or the small organic molecule in order to create a desired growth habit. In order to demonstrate how this set of allowable maps is reduced in the case where the set of energy barriers between substrate and organic molecule are reliably known, we have used Gaussian 98 calculations to establish binding energies for the weak van der Waals interactions between a)-pairs of pentacene molecules as a function of orientation and b) pentacene and two substrates, silicon surfaces passivated with cyclopentene molecules and a crystalline model of silicon dioxide. The critical nucleation size and the mode of diffusion of this idealized two-site dimer model for pentacene molecules are found to be in good agreement with experimental data.

A computational study of the sub-monolayer growth of pentacene

An interatomic potential has been developed to describe interactions in silicon, carbon and silicon carbide, based on the environment-dependent interatomic potential (EDIP) (Bazant et al 1997 Phys. Rev. B 56 8542). The functional form of the original EDIP has been generalized and two sets of parameters have been proposed. Tests with these two potentials have been performed for many properties of SiC, including bulk properties, high-pressure phases, point and extended defects, and amorphous structures. One parameter set allows us to keep the original EDIP formulation for silicon, and is shown to be well suited for modelling irradiation-induced effects in silicon carbide, with a very good description of point defects and of the disordered phase. The other set, including a new parametrization for silicon, has been shown to be efficient for modelling point and extended defects, as well as high-pressure phases.

http://iopscience.iop.org/article/10.1088/0953-8984/22/3/035802/pdf

An environment-dependent interatomic potential for silicon carbide: calculation of bulk properties, high-pressure phases, point and extended defects, and amorphous structures.

Neutron irradiation effects on highly oriented antiferroelectric PbZrO3 (PZ) thin films are investigated in view of their possible application as a temperature sensitive element in an alternative bolometer system for fusion devices such as the International Thermonuclear Experimental Reactor (ITER). All films were prepared by a sol-gel technique or by pulsed laser deposition (PLD). The dielectric properties were investigated in a frequency range from 1 to 250kHz and at temperatures up to 400°C, prior to and after irradiation to neutron fluences of 0.5×1022, 1×1022, 2×1022, and 3×1022m−2 (E>0.1MeV). After irradiation, the films were annealed in several steps up to 400°C in order to remove the radiation-induced defects. The results are discussed in terms of a phenomenological model of radiation effects in PZ films, which takes into account structural defects, such as oxygen vacancies, and radiation-induced charges. We find that the films are most sensitive to neutron irradiation in the vicinity of the phase...

Oxygen vacancy defects in antiferroelectric PbZrO3 thin film heterostructures after neutron irradiation

Growth of three-dimensional SiC clusters on Si modelled by KMC

The response of ferroelectric materials to high energy irradiation is of great interest because of their possible application in radiation environments such as thermonuclear reactors. In the present work a physical model for the defect evolution in PLZT ceramics under neutron irradiation and annealing is proposed. The influence of the defect system on the ferroelectric properties of these materials has been investigated. Satisfactory agreement between the theoretical estimated oxygen defect concentration after irradiation and annealing and the experimentally determined polarization has been obtained.

Computer simulation of ferroelectric property changes in PLZT ceramics under neutron irradiation

Multi-Scale Simulation of Nucleation and Growth of Nanoscale SiC on Si

The process of the spatial ordering of SiC nanoclusters on the step edges on Si surfaces was studied by means of multi-scale computer simulation. The evolution of cluster arrays on an ideal flat surface and surfaces with terraces of various widths was performed by kinetic Monte Carlo (KMC) simulations based on quantitative studies of potential energy surfaces (PES) by molecular dynamics (MD). PES analysis revealed that certain types of steps act as strong trapping centres for both Si and C adatoms stimulating clusters nucleation. Spatial ordering of the SiC nanoclusters at the terrace edges can be achieved if the parameters of the growth process (substrate temperature, carbon flux) and substrate (steps direction and terrace widths) are adjusted to the surface morphology. Temperature ranges for growth regimes with and without formation of cluster chains were determined. Cluster size distributions and the dependence of optimal terrace width for self ordering on the deposition parameters were obtained.

V. S. Kharlamov

Papers

Growth of three-dimensional SiC clusters on Si modelled by KMC

Computer simulation of ferroelectric property changes in PLZT ceramics under neutron irradiation

Multi-Scale Simulation of Nucleation and Growth of Nanoscale SiC on Si

Carbon surface diffusion and SiC nanocluster self-ordering

Computer simulation of the annealing of point magnetic-flux pinning centers in a neutron-irradiated YBaCuO single crystal