Density functional theory prediction for oxidation and exfoliation of graphite to graphene

A density functional theory (DFT) study of graphene synthesis from graphite oxidation and exfoliation is presented. The calculated DFT results for O adsorption predict CO as a most stable bond on the graphene oxide (GO) sheet. The obtained exfoliation energy for the graphene and the GO are 143 and ∼70 mJ/m² that verify easier exfoliation of the graphite oxide compared with the graphite. Furthermore, the DFT results show that for decreasing the exfoliation energy of the GO at least two layers of the graphite should be oxidized during the oxidation process.     

Minimal conductivity in bilayer graphene

Using the Landauer formula approach, it is proven that minimal conductivity of order e²/h found experimentally in bilayer graphene is an intrinsic property. For the case of ideal crystals, the conductivity turns out to be equal to e²/2h per valley per spin. A zero-temperature shot noise in bilayer graphene is considered and the Fano factor is calculated. Its value 1–2/π is close to the value 1/3 found earlier for single-layer graphene.     

Disorder and localization of electrons in bilayer graphene

We investigate localization behavior of electron states in bilayer graphene formed with the Bernal stacking in the presence of various types of disorder (site-energy, in-plane hopping and inter-plane hopping) by the use of the transfer matrix method. It is found that all the states are localized at various kinds of disorder (site-energy, in-plane hopping and inter-plane hopping) except that in the case of inter-plane-hopping disorder the states at the zero energy are critical. The implications of the results are discussed.     

Electronic properties of graphene with a topological defect

Various types of topological defects in graphene are considered in the framework of the continuum model for long-wavelength electronic excitations, which is based on the Dirac–Weyl equation. The condition for the electronic wave function is specified, and we show that a topological defect can be presented as a pseudomagnetic vortex at the apex of a graphitic nanocone; the flux of the vortex is related to the deficit angle of the cone. The cases of all possible types of pentagonal defects, as well as several types of heptagonal defects (with the numbers of heptagons up to three, and six) are analyzed. The density of states and the ground state charge are determined.     

Quantum phase diagram of granular superconducting quantum dots array

We study the quantum phase diagram of granular superconducting quantum dots (GSQD) array. We implement the physics of granularity by considering site dependent Josephson couplings, on-site charging energies and the intersite interactions. We predict dimer density wave and staggered phases at the insulating state for higher order commensurability. Several parts of the quantum phase diagram of GSQD are in contrast with the clean superconducting quantum dots array. We also obtain the superconducting phase of GSQD. We develop the theory for weak tunneling conductance and the Coulomb energy is smaller than the superconducting gap.     

Anisotropic ac dissipation at the surface of mesoscopic superconductors

In this work we study the ac dissipation of mesoscopic superconductors at microwave frequencies using the time dependent Ginzburg-Landau equations. Our numerical simulations show that the ac dissipation is strongly dependent on the orientation of the ac magnetic field (h_ac) relative to the dc magnetic field (H_dc). When h_ac is parallel to H_dc we observe that each vortex penetration event produces a significant suppression of the ac losses because the imaginary part of the ac susceptibility as a function of H_dc increases before the penetration of vortices, and then it decreases abruptly after vortices have entered into the sample. In the second case, when h_ac is perpendicular to H_dc, we observe that the jumps in dissipation occur at the same values of H_dc but are much smaller than in the parallel configuration. The behavior of the dissipation in the perpendicular configuration is similar to previous results obtained in recent microwave experiments using mesoscopic lithographed squares of Pb [A.D. Hernández, O. Arés, C. Hart, D. Domínguez, H. Pastoriza, A. Butera, J. Low Temp. Phys. 135 (2004) 119].     

On electron pairing in unconventional superconductors

This paper presents a study whose aim is to decide whether the basic mechanism of electron pairing is the same for all unconventional superconductors such as perovskites, cuprates, organic compounds and alkaly-stuffed fullerene. By analyzing the features of these dissimilar materials, arguments are singled out showing that superconduction is originated by electrons combined in weakly bound pairs running in regions bordering on certain lattice discontinuities which are common to the structure of the superconductors dealt with. Special attention is devoted to the properties of the YBCO cuprate. Received 3 November 1999 and Received in final form 18 May 2000     

Resonant transport and quantum bound states in Z-shaped graphene nanoribbons

We study the transport properties of a Z-shaped graphene nanoribbon (GNR). It is found that the quasibound states in the Z-shaped junction induce resonant peaks around the Dirac point in the conductance profile. The resonant transmission via the quantum bound state is very sensitive to the size of the junction. The number and also the lifetimes of the quasibound states increase with the size of the Z-shaped junction. Long lifetime bound states which do not induce obvious resonant peaks exist in the junction with a wider or longer zigzag edged GNR. The resonant characteristics of the Z-shaped GNR can be tuned by the variation of the geometrical size.     

On electron pairing in superconducting cuprates

The superconducting properties of materials of layered structure containing copper and other metal oxides are compared with the expectations ofa recently proposed electron pairing model 1. The role of the oxygen content of samples is emphasized. Evidence is found showing that superconduction is originated only in presence of coupled layers of metal oxides holding unpaired electrons. Received 8 November 2000     

De Gennes parameter limit for the occurrence of a single vortex in a square mesoscopic superconductor

The time dependent Ginzburg–Landau equations (TDGLE) are used to study the properties of a mesoscopic superconducting square surrounded by different metallic materials. The properties of the metallic environment are taken into account by De Gennes boundary conditions, via the extrapolation length b. The external magnetic field is applied perpendicularly to the square surface. The TDGLE are used upon taking the magnetic field and the order parameter invariant along z-direction. It is determined the b-limit for the occurrence of a single vortex in a mesoscopic square of area d², d varies discretely from 4ξ(0) to 10ξ(0). We can show a logarithmical dependence of the sample size as a function on b parameter.     

Superconducting slab in contact with thin superconducting layer at higher critical temperature

Within the framework of nonlinear time dependent Ginzburg–Landau equations (TDGL) we study the properties of a mesoscopic superconducting film with both surfaces in contact with a thin superconducting layer at a higher critical temperature. The properties of the layer are taken into account by the de Gennes boundary conditions via the extrapolation length b. We assume that the magnetic field is parallel to the multilayer interfaces. We obtain magnetization curves and calculate the spatial distribution of the superconducting electron density using a numerical method based on the technique of gauge invariant variables. This work tests both the rectangular cross-section size and b limit for the occurrence of vortices in a mesoscopic sample of area d_xxd_y where d_y = 80ξ(0) and dx varies discretely from 20ξ(0) to 3ξ(0). Our data also show a linear behavior of the magnetization curve and a power-law of order parameter modulus in limit b → 0_-.     

Fabrication of a graphene field effect transistor array on microchannels for ethanol sensing

A new approach to the fabrication of back-gated graphene FET (field effect transistor) arrays on microchannels was investigated. Narrow walls fabricated on a substrate with SU-8 (a negative photoresist), with top metal electrodes were pressed onto another silicon/SiO₂ substrate with predeposited graphene pieces such that the electrodes came into contact with graphene pieces and formed the source and drain contact. The SU-8 narrow walls with the top metal layer were fabricated by the conventional lift-off process. The graphene pieces were reduced chemically from graphite oxide. The I_DS changed immediately by more than 17% when the device was exposed to an ethanol atmosphere. The current recovered very well after the ethanol gas was pumped out. The SU-8 microchannels served as gas flow passages that helped the ethanol vapor reach the sensitive region of the device: the graphene channel. This work provides a convenient way of constructing back-gated graphene FETs for sensing applications. This method could potentially be scaled up for mass production.     

Role of surface Cooper pair interactions on critical temperature of ultra thin film superconductors

The superconductivity mechanism of Pb thin film on a Si substrate in the weak interaction regime is investigated. A discrete Fermi surface is constructed depend on the film thickness and electron density and crystallographic orientation. We consider two types of Cooper pair interactions, Cooper pair interaction at thin film surfaces and Cooper pair in the thin film volume. We have chosen the surface Cooper pair interaction, of ultra thin films superconductor proportional to the inverse of thin film thickness, while the volume Cooper pair interaction has been considered as a constant. By these assumptions, we have found oscillation feature of critical temperature Tc and energy gap Δ in terms of thin film thickness similar to the experimental results for Pb/Si(111) thin film superconductor. However, by increasing number of Pb layers, the thin film Tc goes to bulk Tc. In contrast to the previous claimed constant value for the Δb(T=0)/kBTc in bulk, we have found oscillation of this parameter in terms of thin film thickness similar to the Tc oscillation.     

Symmetry constraints on phonon dispersion in graphene

We calculate the phonon dispersion for graphene with interactions between the first, second, and third nearest neighbors in the framework of the Born-von Karman model taking into account the constraints imposed by the lattice symmetry. Analytical expressions give the nonzero sound velocity for the out-of-plane (bending) mode. The dispersion of four in-plane modes is determined by coupled equations. Values of the force constants are found in fitting with frequencies at critical points and elastic constants measured on graphite.     

Bound states of Dirac electrons in a graphene-based magnetic quantum dot

We investigate the magnetically confined states of the massless Dirac fermions in a graphene quantum dot formed by the inhomogeneous distributions of the magnetic fields inside and outside the dot. The calculated energy spectrum exhibits quite different features with and without the magnetic field inside the dot. It is found that the degeneracy of the relativistic Landau level with negative angular momenta can be lifted, and this degeneracy breaking can be modulated by the magnetic field inside the dot. Moreover, such a system can form the strongly localized states within the dot and along its boundary, especially with the magnetic field inside the dot.     

Dependence of band structures on stacking and field in layered graphene

Novel systems of layered graphene are attracting interest for theories and applications. The stability, band structures of few-layer graphite films, and their dependence on electric field applied along the c-axis are examined within the density functional theory. We predict that those of Bernal type and also rhombohedral type tri- and tetra-layer graphite films exhibit stability. Rhombohedral-type systems, including AB-bilayer, show variable band gap induced by perpendicular electric fields, whereas the other systems, such as the Bernal-type films, stay semi-metallic.     

Microstructure and tribological performance of self-lubricating diamond/tetrahedral amorphous carbon composite film

In order to smooth the rough surface and further improve the wear-resistance of coarse chemical vapor deposition diamond films, diamond/tetrahedral amorphous carbon composite films were synthesized by a two-step preparation technique including hot-filament chemical vapor deposition for polycrystalline diamond (PCD) and subsequent filtered cathodic vacuum arc growth for tetrahedral amorphous carbon (ta-C). The microstructure and tribological performance of the composite films were investigated by means of various characterization techniques. The results indicated that the composite films consisted of a thick well-grained diamond base layer with a thickness up to 150 μm and a thin covering ta-C layer with a thickness of about 0.3 μm, and sp³-C fraction up to 73.93%. Deposition of a smooth ta-C film on coarse polycrystalline diamond films was proved to be an effective tool to lower the surface roughness of the polycrystalline diamond film. The wear-resistance of the diamond film was also enhanced by the self-lubricating effect of the covering ta-C film due to graphitic phase transformation. Under dry pin-on-disk wear test against Si₃N₄ ball, the friction coefficients of the composite films were much lower than that of the single PCD film. An extremely low friction coefficient (∼0.05) was achieved for the PCD/ta-C composite film. Moreover, the addition of Ti interlayer between the ta-C and the PCD layers can further reduce the surface roughness of the composite film. The main wear mechanism of the composite films was abrasive wear.     

Large oscillating tunnel magnetoresistance in ferromagnetic graphene single tunnel junction

Spin-polarized transports of relativistic electrons through graphene-based ferromagnet/insulator/ferromagnet (FG/IG/FG) single junctions have been investigated theoretically. Large oscillating tunnel magnetoresistance (TMR) has been found in monolayer and bilayer FG/IG/FG junctions. The oscillating amplitudes of TMR do not decrease with the increase of the thickness and the height of barrier, in contrast to the exponential decay in conventional ferromagnet/insulator/ferromagnet single junction. The physical origin for such a phenomenon has also been analyzed. It is anticipated to apply such a phenomenon to design the spin-polarized electron device based on the graphene materials.     

Momentum dependence of quasiparticle spectrum and Bogoliubov angle in cuprate superconductors

The momentum dependence of the low energy quasiparticle spectrum and the related Bogoliubov angle in cuprate superconductors are studied within the kinetic energy driven superconducting mechanism. By calculation of the ratio of the low energy quasiparticle spectra at positive and negative energies, it is shown that the Bogoliubov angle increases monotonically across the Fermi crossing point. The results also show that the superconducting coherence of the low energy quasiparticle peak is well described by a simple d-wave Bardeen-Cooper-Schrieffer formalism, although the pairing mechanism is driven by the kinetic energy by exchanging spin excitations.     

Contact conductance between graphene and quantum wires

The contact conductance between graphene and two quantum wires which serve as the leads to connect graphene and electron reservoirs is theoretically studied. Our investigation indicates that the contact conductance depends sensitively on the graphene-lead coupling configuration. When each quantum wire couples solely to one carbon atom, the contact conductance vanishes at the Dirac point if the two carbon atoms coupling to the two leads belong to the same sublattice of graphene. We find that such a feature arises from the chirality of the Dirac electron in graphene. Such a chirality associated with conductance zero disappears when a quantum wire couples to multiple carbon atoms. The general result irrelevant to the coupling configuration is that the contact conductance decays rapidly with the increase of the distance between the two leads. In addition, in the weak graphene-lead coupling limit, when the distance between the two leads is much larger than the size of the graphene-lead contact areas and the incident electron energy is close to the Dirac point, the contact conductance is proportional to the square of the product of the two graphene-lead contact areas, and inversely proportional to the square of the distance between the two leads.