A study on the position of boron atoms in (Y(0.6)Ca(0.4))(SrBa)(Cu(2.5)B(0.5))O(7-delta).

Abstract

The position of boron atoms in minute crystals of (Y(0.6)Ca(0.4))(SrBa)(Cu(2.5)B(0.5))O(7-delta) was studied by means of image processing based on the combination of high-resolution electron microscopy and electron diffraction. The structure image was obtained from a single image by image deconvolution based on the principle of maximum entropy. Its resolution is limited by that of the electron microscope. Then the image resolution was enhanced to about 1 A by direct-methods phase extension in combination with an empirical method of electron diffraction intensity correction. To study the substitution of boron atoms for copper, in the second cycle of diffraction intensity correction two different structure models were proposed. The one corresponding to a more reasonable atomic shape in the derived projected potential map (PPM) was accepted. In this model, the boron atoms are located at the 'chain' Cu sites.