Computational study for growth of GaN on graphite as 3D growth on 2D material

The density functional calculation is performed to determine the structure of the grown GaN film on graphite for comparison with experimental results using pulsed laser deposition method. The predicted result for polarity of the grown GaN is (0001) and it agrees with experiment. Since GaN is grown well on graphite, graphite is considered to be an ideal lattice mismatch free substrate for heteroepitaxial growth. (© 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)