The progress that has been achieved over the past few years on the growth of thick and high purity homo‐epitaxial single crystal diamond by chemical vapour deposition (CVD) has opened a wide range of possible applications in areas such as optics or power electronics. Recently, high quality single crystals were produced at LIMHP with growth rates close to 20 µm/h using relatively high microwave power density, both in continuous and pulsed mode [1, 2]. However, these results are conditioned by the use of an in‐situ etching of the diamond substrate prior to growth using a H2/O2 plasma. This pre‐treatment results in better and smoother morphologies of the homoepitaxial diamond layer [3] compared to growth on an untreated substrate. Moreover, the initial quality of the diamond substrate was demonstrated to be critical for the final morphology of the CVD epitaxial film. Still, the impact of surface defects on the initial diamond substrate and the role of the pre‐treatment on the final morphology of the grown film remained partially unclear. Indeed, diamond homoepitaxial growth on untreated substrates leads to unexpected morphology and geometry of the crystal. To explain these observations, a 3D purely geometrical growth model has been developed, involving the growth rate of (100), (111), as well as (110) and (113) faces. The model provi‐ des a consistent explanation of the substrate pre‐treatment effect on the growth and morphology of the crystal. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)