arXiv subjects

Jiebing Sun

Publications and source records attributed to Jiebing Sun.

2 recordsLinked to original sources

arXiv2013

First-principles theory of low-energy electron diffraction and quantum interference in few-layer graphene

We present a computationally efficient method to incorporate density-functional theory into the calculation of reflectivity in low-energy electron microscopy. The reflectivity is determined by matching plane waves representing the electron beams to the Kohn-Sham wave functions calculated for a finite slab in a supercell. We show that the observed quantum interference effects in the reflectivity spectra of a few layers of graphene on a substrate can be reproduced well by the calculations using a moderate slab thickness.

cond-mat.mtrl-sci↗

arXiv2013

The Equilibrium Shape of Graphene Domains on Ni(111)

We have determined the equilibrium shape of graphene domains grown on Ni(111) via carbon segregation at 925°C. In situ, spatially-resolved electron diffraction measurements were used to determine the crystallographic orientation of the edges of the graphene domains. In contrast to recent theoretical predictions of a nearly-circular shape, we show that graphene domains, which nucleate with random shapes, all evolve toward a triangular equilibrium shape with 'zig-zag' edges. Only one of the two possible zig-zag edge orientations is observed.

cond-mat.mtrl-sci↗