Feasible atomic-resolution electron tomography for general crystal surfaces by quantitative reconstruction from a high-resolution image.

Whether or not the 3-dimensional surface morphologies of a crystal sample can be reconstructed at atomic-scale from a single 2-dimensional image becomes an interesting issue in high-resolution transmission electron microscopy, after the work by Jia et al. [1]. Here we propose an improved and self-validated algorithm to enhance such an electron tomography method and to make it applicable to more general crystal surfaces even with thin amorphous layers. Our study shows that a resolution in the beam (z) direction and a confidence level have to be defined and estimated after performing tomographic reconstruction in order to evaluate the quality and the reliability of its result. Applying the proposed procedure to the Si[110] image to recover the surface morphologies of a silicon crystal with amorphous contamination, the obtained results show that an atomic-resolution of 0.384 nm in the z-direction and a high confidence level of 95% are achieved for imaging the Si-surface structures, quantitatively described by tomographic parameters, i.e., the height (defocus) and the thickness (atom number) of Si-atomic columns.

Determination of the 3D shape of a nanoscale crystal with atomic resolution from a single image.

Although the overall atomic structure of a nanoscale crystal is in principle accessible by modern transmission electron microscopy, the precise determination of its surface structure is an intricate problem. Here, we show that aberration-corrected transmission electron microscopy, combined with dedicated numerical evaluation procedures, allows the three-dimensional shape of a thin MgO crystal to be determined from only one single high-resolution image. The sensitivity of the reconstruction procedure is not only sufficient to reveal the surface morphology of the crystal with atomic resolution, but also to detect the presence of adsorbed impurity atoms. The single-image approach that we introduce offers important advantages for three-dimensional studies of radiation-sensitive crystals.

Effect of a single dislocation in a heterostructure layer on the local polarization of a ferroelectric layer.

We study, on an atomic scale, the influence of a single dislocation in a SrTiO3 sublayer on the local ferroelectric polarization of the neighboring ferroelectric PbZr0.2Ti0.8O3 (PZT) sublayer in an epitaxial SrTiO3/PbZr0.2Ti0.8O3/SrTiO3 three-layer heterostructure. The strain field of the dislocation in the SrTiO3 layer propagates across the interface into the PZT layer and leads to a strong variation of the c-lattice parameter of the PZT layer. Accompanying a strong reduction of the c-lattice parameter, the off-center displacements of the Zr/Ti atoms away from the center of the oxygen octahedra are also strongly decreased, resulting in a decrease of the local spontaneous polarization by up to 48%.