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Register a new userNovel substrates for Helium adsorption: Graphane and Graphene-Fluoride
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Added by
Davide Emilio Galli
Publication date
2012
fields
Physics
and research's language is
English
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The discovery of fullerenes has stimulated extensive exploration of the resulting behavior of adsorbed films. Our study addresses the planar substrates graphene-fluoride (GF) and graphane (GH) in comparison to graphene. We present initial results concerning the potential energy, energy bands and low density behavior of 4He and 3He films on such different surfaces. For example, while graphene presents an adsorption potential that is qualitatively similar to that on graphite, GF and GH yield potentials with different symmetry, a number of adsorption sites double that on graphene/graphite and a larger corrugation for the adatom. In the case of GF, the lowest energy band width is similar to that on graphite but the He atom has a significantly larger effective mass and the adsorption energy is about three time that on graphite. Implications concerning the monolayer phase diagram of 4He are explored with the exact path integral ground state method. A commensurate ordered state similar to the sqrt{3} x sqrt{3} R30^o state on graphite is found the be unstable both on GF and on GH. The ground states of submonolayer 4He on both GF and GH are superfluids with a Bose Einstein condensate fraction of about 10%.
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The vibrational properties of graphene fluoride and graphane are studied using ab initio calculations. We find that both sp3 bonded derivatives of graphene have different phonon dispersion relations and phonon density of states as expected from the different masses associated with the attached atoms fluorine and hydrogen, respectively. These differences manifest themselves in the predicted temperature behavior of the constant-volume specific heat of both compounds.
Different stoichiometric configurations of graphane and graphene fluoride are investigated within density functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the various configurations. Large differences between graphane and graphene fluoride are found that are caused by the presence of charges on the fluorine atoms. A new configuration that is more stable than the boat configuration is predicted for graphene fluoride. We also perform GW calculations for the electronic band gap of both graphene derivatives. These band gaps and also the calculated Youngs moduli are at variance with available experimental data. This might indicate that the experimental samples contain a large number of defects or are only partially covered with H or F.
We study the magnetic properties of graphene edges and graphene/graphane interfaces under the influence of electrostatic gates. For this, an effective low-energy theory for the edge states, which is derived from the Hubbard model of the honeycomb lattice, is used. We first study the edge state model in a mean-field approximation for the Hubbard Hamiltonian and show that it reproduces the results of the extended 2D lattice theory. Quantum fluctuations around the mean-field theory of the effective one-dimensional model are treated by means of the bosonization technique in order to check the stability of the mean-field solution. We find that edge magnetism at graphene/graphane interfaces can be switched on and off by means of electrostatic gates. We describe a quantum phase transition between an ordinary and a ferromagnetic Luttinger liquid - a realization of itinerant one-dimensional ferromagnetism. This mechanism may provide means to experimentally discriminate between edge magnetism or disorder as the reason for a transport gap in very clean graphene nanoribbons.
We study interfaces between graphene and graphane. If the interface is oriented along a zigzag direction, edge states are found which exhibit a strong amplification of effects related to the spin-orbit interaction. The enhanced spin splitting of the edge states allows a conversion between valley polarization and spin polarization at temperatures near one Kelvin. We show that these edge states give rise to quantum spin and/or valley Hall effects.
Chemical vapor deposited (CVD) graphene is often presented as a scalable solution to graphene device fabrication, but to date such graphene has exhibited lower mobility than that produced by exfoliation. Using a boron nitride underlayer, we achieve mobilities as high as 37,000 cm^2/Vs, an order of magnitude higher than commonly reported for CVD graphene and better than most exfoliated graphene. This result demonstrates that the barrier to scalable, high mobility CVD graphene is not the growth technique but rather the choice of a substrate that minimizes carrier scattering.
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