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Approaching ideal graphene: The structure of hydrogen-intercalated graphene on 6H-SiC(0001)

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arxiv 1411.4753 v1 pith:25JLU5B5 submitted 2014-11-18 cond-mat.mtrl-sci

Approaching ideal graphene: The structure of hydrogen-intercalated graphene on 6H-SiC(0001)

classification cond-mat.mtrl-sci
keywords grapheneadsorptiondensityfunctionalh-sicheighthydrogen-intercalatedideal
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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We measure the adsorption height of hydrogen-intercalated quasi-free-standing monolayer graphene on the (0001) face of 6H silicon carbide by the normal incidence x-ray standing wave technique. A density functional calculation for the full ($6 \sqrt{3} \times 6 \sqrt{3}$)-R30$^\circ$ unit cell, based on a van der Waals corrected exchange correlation functional, finds a purely physisorptive adsorption height in excellent agreement with experiments, a very low buckling of the graphene layer, a very homogeneous electron density at the interface and the lowest known adsorption energy per atom for graphene on any substrate. A structural comparison to other graphenes suggests that hydrogen intercalated graphene on 6H-SiC(0001) approaches ideal graphene.

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