Accurate geometrical calibration between the scan coordinates and the camera coordinates is critical in four-dimensional scanning transmission electron microscopy (4D-STEM) for both quantitative imaging and ptychographic reconstructions. For atomic-resolved, in-focus 4D-STEM datasets, we propose a hybrid method incorporating two sub-routines, namely a J-matrix method and a Fourier method, which can calibrate the uniform affine transformation between the scan-camera coordinates using raw data, without a priori knowledge of the crystal structure of the specimen. The hybrid method is found robust against scan distortions and residual probe aberrations. It is also effective even when defects are present in the specimen, or the specimen becomes relatively thick. We will demonstrate that a successful geometrical calibration with the hybrid method will lead to a more reliable recovery of both the specimen and the electron probe in a ptychographic reconstruction. We will also show that, although the elimination of local scan position errors still requires an iterative approach, the rate of convergence can be improved, and the residual errors can be further reduced if the hybrid method can be firstly applied for initial calibration. The code is made available as a simple-to-use tool to correct affine transformations of the scan-camera coordinates in 4D-STEM experiments.

CdTe is well known as an excellent photovoltaic material for high efficiency solar cell applications because it has a direct band-gap, low fabrication cost and high optical absorption coefficient. However, the nonradiative recombination and low average minority carrier lifetime caused by the defects in CdTe solar cells limit its efficiency. So far, grain boundaries (GB) have been considered to be the major origin of the nonradiative recombination. However, we show that CdTe grains contain many dislocations that could limit device efficiency. Scanning transmission electron microscopy (STEM) was used to determine the atomic structure of intrinsic and extrinsic stacking faults and their terminating partial dislocation cores. Z-contrast images are sensitive to atomic number and are able to distinguish Cd and Te atomic columns. Unpaired Cd and Te atomic columns were found to form the partial dislocation cores, suggesting the presence of dangling bonds. These defects are likely to be electrically active, and may be the origin of the low minority carrier lifetime.

We had studied the effects of hyperthermal (5.1eV) atomic oxygen (AO) on the structural characteristics of the silica layer and Si/SiOx interface formed by the oxidation of Si-single crystal by a variety of microcharacterization techniques. A laser detonation source was used to produce atomic oxygen with 5.1eV kinetic energy. High Resolution Transmission Electron Microscopy (HRTEM) and Selected Area Electron Diffraction (SAED) demonstrated that the silica layer formed on Si(100) by atomic oxygen is thicker, more homogeneous, and less amorphous, compared to the oxide layer created by molecular oxygen (MO). High spatial resolution Electron Energy Loss Spectroscopy (EELS) study confirmed that the Si/SiOx interface created by atomic oxygen is abrupt containing no suboxides as opposed to the broad interface with transitional states formed by molecular oxygen. SAED technique was used to observe sharper diffraction rings present in the diffraction pattern of Si(100) oxidized by reactive atomic oxygen as opposed to the diffused haloes present in the diffraction pattern of Si(100) oxidized by molecular oxygen. Radial Distribution Function (RDF) analyses were performed on the SAED patterns of Si(100) oxidized in atomic and molecular oxygen, indicating that a more ordered oxide is formed by atomic oxygen. Initial Fluctuation Electron Microscopy (FEM) results confirmed an increased medium range ordering in SiOx formed by atomic oxygen when compared to the non-regular arrangement present in the amorphous oxide formed by the oxidation of Si(100) in molecular oxygen.