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The density functional calculation is performed to determine the structure of the grown GaN film on graphite substrate for comparison with experimental results using pulsed laser deposition method. The predicted result for polarity of the grown GaN is the nitrogen-terminated face, (0001) and it agrees with experiment. Since graphite is the 2 dimensional material having very weak interaction between layers, graphite is considered to be an ideal lattice mismatch free substrate for heteroepitaxial growth. (© 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

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)

Using the pulsed deposition technique, the growth of GaN on graphite substrate is possible. Because of the two‐dimensionality of graphite, the strain for the lattice mismatch due to the growth of GaN is absorbed by the topmost layer of graphite. We confirm that the electronic and the atomic structure for the interface of the grown GaN on graphite is almost similar to the interface of GaN on a single graphene layer using the density functional theory.