Toward Truly Single Crystalline GeTe Films: The Relevance of the Substrate Surface

The growth of GeTe thin films on a Si(111)-(√3 × √3)­R30°-Sb surface is reported. At growth onset, the rapid formation of fully relaxed crystalline GeTe(0001)-(1 × 1) is observed. During growth, a GeTe(0001)-(√3 × √3)­R30° surface reconstruction is also detected. Indeed, density functional theory (DFT) simulations indicate that the reconstructed GeTe(0001)-(√3 × √3)­R30° structure is energetically competing with the GeTe(0001)-(1 × 1) reconstruction. The out-of-plane α-GeTe<0001>||Si<111> and in-plane α-GeTe<−1010>||Si<−211> epitaxial relationships are confirmed by X-ray diffraction (XRD). Suppression of rotational twist and reduction of twinned domains are achieved. The formation of rotational domains in GeTe grown on Si(111)-(7 × 7) is explained by domain matched coincidence lattice formation with the Si(111)-(1 × 1) surface. Atomic force microscopy (AFM) images show the coalescence of well-oriented islands with subnanometer roughness on their top part. van der Pauw measurements are performed to verify the electric properties of the films. The quality of epitaxial GeTe thin film is discussed and related to the crystalline structure of GeTe and its rhombohedrally distorted resonant bonds