Journal of Crystal Growth, Vol.286, No.1, 108-113, 2006
Chemical bond analysis of the crystal growth of KDP and ADP
The bond valence model is employed to calculate the bond strength of constituent chemical bonds formed between growth units in both potassium dihydrogen phosphate (KDP) and ammonium dihydrogen phosphate (ADP) crystals, with the aim to predict and control the crystal shape. After calculating and comparing the relative growth rates of all selected planes, which are related to the crystallographic structure and chemical bond strength, the natural morphology of both KDP and ADP can be conveniently deduced. To check the calculated results, the crystallites of KDP and ADP are grown under different growth conditions; their morphologies accord well with our theoretical calculations. Meanwhile, the influence of ethanol anti-solvent on crystal morphology is microscopically interpreted, which alters the crystal morphology by changing the supersaturation of the growing solution and influencing the bonding process. When ethanol is added into the growing solution, the crystal shape becomes slender. (c) 2005 Elsevier B.V. All rights reserved.
Keywords:crystal morphology;crystal structure;crystallites;x-ray diffraction;phosphates;nonlinear optic materials