اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدInterfacial interactions between local defects in amorphous SiO$_2$ and supported graphene
191
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
We present a density functional study of graphene adhesion on a realistic SiO$_2$ surface taking into account van der Waals (vdW) interactions. The SiO$_2$ substrate is modeled at the local scale by using two main types of surface defects, typical for amorphous silica: the oxygen dangling bond and three-coordinated silicon. The results show that the nature of adhesion between graphene and its substrate is qualitatively dependent on the surface defect type. In particular, the interaction between graphene and silicon-terminated SiO$_2$ originates exclusively from the vdW interaction, whereas the oxygen-terminated surface provides additional ionic contribution to the binding arising from interfacial charge transfer ($p$-type doping of graphene). Strong doping contrast for the different surface terminations provides a mechanism for the charge inhomogeneity of graphene on amorphous SiO$_2$ observed in experiments. We found that independent of the considered surface morphologies, the typical electronic structure of graphene in the vicinity of the Dirac point remains unaltered in contact with the SiO$_2$ substrate, which points to the absence of the covalent interactions between graphene and amorphous silica. The case of hydrogen-passivated SiO$_2$ surfaces is also examined. In this situation, the binding with graphene is practically independent of the type of surface defects and arises, as expected, from the vdW interactions. Finally, the interface distances obtained are shown to be in good agreement with recent experimental studies.
قيم البحث
اقرأ أيضاً
We report the density-functional calculations that systematically clarify the stable forms of carbon-related defects and their energy levels in amorphous SiO$_2$ using the melt-quench technique in molecular dynamics. Considering the position dependen
ce of the O chemical potential near and far from the SiC/SiO$_2$ interface, we determine the most abundant forms of carbon-related defects: Far from the interface, the CO$_2$ or CO in the internal space in SiO$_2$ is abundant and they are electronically inactive; near the interface, the carbon clustering is likely and a particular mono-carbon defect and a di-carbon defect induce energy levels near the SiC conduction-band bottom, thus being candidates for the carrier traps.
We address local inelastic scattering from vibrational impurity adsorbed onto graphene and the evolution of the local density of electron states near the impurity from weak to strong coupling regime. For weak coupling the local electronic structure i
s distorted by inelastic scattering developing peaks/dips and steps. These features should be detectable in the inelastic electron tunneling spectroscopy, $d^2I/dV^2$, using local probing techniques. Inelastic Friedel oscillations distort the spectral density at energies close to the inelastic mode. In the strong coupling limit, a local negative $U$-center forms in the atoms surrounding the impurity site. For those atoms, the Dirac cone structure is fully destroyed, that is, the linear energy dispersion as well as the V-shaped local density of electron states is completely destroyed. We further consider the effects of the negative $U$ formation and its evolution from weak to strong coupling. The negative $U$-site effectively acts as local impurity such that sharp resonances appear in the local electronic structure. The main resonances are caused by elastic scattering off the impurity site, and the features are dressed by the presence of vibrationally activated side resonances. Going from weak to strong coupling, changes the local electronic structure from being Dirac cone like including midgap states, to a fully destroyed Dirac cone with only the impurity resonances remaining.
We study the interplay between the edge states and a single impurity in a zigzag graphene nanoribbon. We use tight-binding exact diagonalization techniques, as well as density functional theory calculations to obtain the eigenvalue spectrum, the eige
nfunctions, as well the dependence of the local density of states (LDOS) on energy and position. We note that roughly half of the unperturbed eigenstates in the spectrum of the finite-size ribbon hybridize with the impurity state, and the corresponding eigenvalues are shifted with respect to their unperturbed values. The maximum shift and hybridization occur for a state whose energy is inverse proportional to the impurity potential; this energy is that of the impurity peak in the DOS spectrum. We find that the interference between the impurity and the edge gives rise to peculiar modifications of the LDOS of the nanoribbon, in particular to oscillations of the edge LDOS. These effects depend on the size of the system, and decay with the distance between the edge and the impurity.
We demonstrate a large enhancement of the spin accumulation in monolayer graphene following electron-beam induced deposition of an amorphous carbon layer at the ferromagnet-graphene interface. The enhancement is 10^4-fold when graphene is deposited o
nto poly(methyl metacrylate) (PMMA) and exposed with sufficient electron-beam dose to cross-link the PMMA, and 10^3-fold when graphene is deposited directly onto SiO2 and exposed with identical dose. We attribute the difference to a more efficient carbon deposition in the former case due to an increase in the presence of compounds containing carbon, which are released by the PMMA. The amorphous carbon interface can sustain very large current densities without degrading, which leads to very large spin accumulations exceeding 500 microeVs at room temperature.
We separate localization and interaction effects in epitaxial graphene devices grown on the C-face of a 4H-SiC substrate by analyzing the low temperature conductivities. Weak localization and antilocalization are extracted at low magnetic fields, aft
er elimination of a geometric magnetoresistance and subtraction of the magnetic field dependent Drude conductivity. The electron electron interaction correction is extracted at higher magnetic fields, where localization effects disappear. Both phenomena are weak but sizable and of the same order of magnitude. If compared to graphene on silicon dioxide, electron electron interaction on epitaxial graphene are not significantly reduced by the larger dielectric constant of the SiC substrate.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
