Phase separation of hydrogen atoms adsorbed on graphene and the smoothness of the graphene-graphane interface

Rakhmanov, A. L.; Rozhkov, A. V.; Sboychakov, A. O.; Nori, Franco

doi:10.1103/physrevb.85.035408

Cited by 19 publications

(37 citation statements)

References 25 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Because of this phase separation, the doped charge segregates into clusters inside the insulating AFM matrix. The precise structure of such phase depends on a variety of factors: impurities and defects in the sample or the substrate, the long-range Coulomb repulsion that arises due to local charge-neutrality breaking [20], surface tension at the phase boundaries [20,21], and electron-phonon interactions [22]. Charge conservation implies that the concentration p of the metallic phase is p = |x|/x 1 .…”

mentioning

confidence: 99%

Metal-insulator transition and phase separation in doped AA-stacked graphene bilayer

et al. 2013

Self Cite

View full text Add to dashboard Cite

We investigate the doping of AA-stacked graphene bilayers. Applying a mean field theory at zero temperature we find that, at half-filling, the bilayer is an antiferromagnetic insulator. Upon doping, the homogeneous phase becomes unstable with respect to phase separation. The separated phases are undoped antiferromagnetic insulator and metal with a non-zero concentration of charge carriers. At sufficiently high doping, the insulating areas shrink and disappear, and the system becomes a homogeneous metal. The conductivity changes drastically upon doping, so the bilayer may be used as a switch in electronic devices. The effects of finite temperature are also discussed.

show abstract

mentioning

confidence: 99%

Metal-insulator transition and phase separation in doped AA-stacked graphene bilayer

et al. 2013

Self Cite

View full text Add to dashboard Cite

show abstract

“…We use the parameters t = 2.8 eV , t ′ = 5.8 eV , and ǫ 0 = 0.4 eV , as given by Ref. [17] for a hydrogen adatom. In Fig.…”

Section: Numerical Resultsmentioning

confidence: 99%

“…Other work has treated the same system at higher adatom concentration, but only numerically [17]. In future work, it might be possible to treat the present model analytically at higher concentrations, at least approximately.…”

Section: Discussionmentioning

confidence: 98%

See 1 more Smart Citation

Tight-binding model for adatoms on graphene: Analytical density of states, spectral function, and induced magnetic moment

Pike

Stroud

2014

Phys. Rev. B

View full text Add to dashboard Cite

In the limit of low adatom concentration, we obtain exact analytic expressions for the local and total density of states (LDOS, TDOS) for a tight-binding model of adatoms on graphene. The model is not limited to nearest-neighbor hopping but can include hopping between carbon atoms at any separation. We also find an analytical expression for the spectral function A(k, E) of an electron of Bloch vector k and energy E on the graphene lattice, to first order in the adatom concentration. We treat the electron-electron interaction by including a Hubbard term on the adatom, which we solve within a mean-field approximation. For finite Hubbard U , we find the spin-polarized LDOS, TDOS, and spectral function self-consistently. For any choice of parameters of the tight-binding model within mean field theory, we find a critical value of U above which a moment develops on the adatom. For most choices of parameters, we find a substantial charge transfer from the adatom to the graphene host.

show abstract

“…A study has suggested that the synthesized S i-doped graphene (Chishlom, 2012) is an effective metal-free catalyst for CO oxidation . Phase separation of hydrogen atoms adsorbed on graphene has also been studied (Rakhmanov, 2012).…”

Section: Introductionmentioning

confidence: 99%

Progressively Doping Graphene with S i: from Graphene to Silicene, a Numerical Study

Olivi-Tran¹

2015

APR

View full text Add to dashboard Cite

For three different sizes of graphene nanosheets, we computed the Density of states when these nanosheets are progressively doped with an increasing percentage of S i atoms. The pure graphene nanosheets are semi conducting or not depending on their size. The pure silicene nanosheets are conducting with a conduction due to π electrons. The S i doped graphene nanosheets are also semi conducting or not depending on their size: for small sizes, there are semi conducting and they become conducting for larger sizes and larger percentages of S idoping. We computed also the total electronic energy which is linked to the mechanical stability of all our nanosheets. This mechanical stability decreases regularly as a function of the S i percentage of doping , but for the pure silicene nanosheets, the mechanical stability decreases more abruptly.

show abstract

Phase separation of hydrogen atoms adsorbed on graphene and the smoothness of the graphene-graphane interface

Cited by 19 publications

References 25 publications

Metal-insulator transition and phase separation in doped AA-stacked graphene bilayer

Metal-insulator transition and phase separation in doped AA-stacked graphene bilayer

Tight-binding model for adatoms on graphene: Analytical density of states, spectral function, and induced magnetic moment

Progressively Doping Graphene with S i: from Graphene to Silicene, a Numerical Study

Contact Info

Product

Resources

About