434 citations · 1k across the 12 of their papers we have counts for
8 papers · 1 filter
Graphene on silicon: effects of the silicon surface orientation on the work function and carrier density of graphene
Y. W. Sun, D. Holec, D. Gehringer +4
Density functional theory has been employed to study graphene on the (111), (100) and (110) surfaces of silicon (Si) substrates. There are several interesting findings. First, carb…
Disruption of the bonding by the compression of the -electronic orbitals of graphene at various stacking orders
Yiwei Sun, David Holec, Dominik Nöger +2
We investigate the behaviour of the -electrons under compression and the effect of the stacking order of graphene layers. First we find that electrons can hardly be squeezed thr…
3D strain in 2D materials: Experimental test in unsupported monolayer graphene under pressure
Y. W. Sun, W. Liu, I. Hernandez +4
Previous Raman measurements on supported graphene under high pressure reported a very different shift rate of in-plane phonon frequency of graphene (16 cmGPa) from gr…
The Effect of Humidity on the Interlayer Interaction of Bi-layer Graphene
A. Qadir, Y. W. Sun, W. Liu +4
The lubricating ability of graphite largely depends on the environmental humidity, essentially the amount of water in between its layers. In general, intercalated molecules in laye…
PANIC: a 3D dislocation dynamics model for climb and glide in epitaxial films and heterostructures
Wai Yuen Fu, Colin J. Humphreys, Michelle A. Moram
This paper presents PANIC, a 3D discrete mesoscale dislocation dynamics model which includes a fully quantitative treatment of both dislocation climb and dislocation glide, includi…
Tunable optoelectronic and ferroelectric properties in Sc-based III-nitrides
Siyuan Zhang, David Holec, Wai Y. Fu +2
Sc-based III-nitride alloys were studied using Density Functional Theory with special quasi-random structures and were found to retain wide band gaps which stay direct up to x = 0.…
Towards predictive modelling of near-edge structures in electron energy loss spectra of AlN based ternary alloys
David Holec, Richard Rachbauer, Daniel Kiener +5
Although electron energy loss near edge structure analysis provides a tool for experimentally probing unoccupied density of states, a detailed comparison with simulations is necess…
Mapping the potential within a nanoscale undoped GaAs region using a scanning electron microscope
B. Kaestner, C. Rodenburg, C. J. Humphreys
Semiconductor dopant profiling using secondary electron imaging in a scanning electron microscope (SEM) has been developed in recent years. In this paper, we show that the mechanis…