Funct. Mater. 2024; 31 (3): 327-335.

doi:https://doi.org/10.15407/fm31.03.327

Structural peculiarities and mechanical characteristics of KDP-family single crystals

V.N. Baumer, Е.F. Dolzhenkova, I.М. Pritula, А.N. Iurchenko, E.I. Kostenyukova

Institute for Single Crystals, SSI "Institute for Single Crystals" National Academy of Sciences of Ukraine, 60 Nauky Ave., 61001 Kharkiv, Ukraine

Abstract: 

Investigated are mechanical characteristics of alkaline dihydrogen phosphate single crystals KH2PO4 and LiH2PO4 with different cation sizes. There are established those features of the internal structure that define the character of damage in the crystals under the mechanical stresses. It is shown that the mechanical strength of the studied crystals depends, first of all, on the number and direction of the hydrogen bonds in the crystal lattice. The longer hydrogen bonds (~2.684 Å) in alkaline dihydrogen phosphate with a small four-coordinated cation RLi+ = 0.68Å are weaker than the hydrogen bonds which belong to a strong type (~2.564 Å) in alkaline dihydrogen phosphate with a large eight-coordinated cation RK+ = 1.33 Å. The value of fracture toughness of LiH2PO4 single crystals is approximately 2-2.5 times lower than that of KH2PO4 single crystals. The plasticity of potassium dihydrophosphate is higher in comparison with the one of lithium dihydrophosphate. This is due to the fact that the contribution of the small Li+ cation to the formation of the framework is lower than that of the large K+ cation. The values of LiH2PO4 microhardness are 1.2-1.3 higher than the corresponding values of KH2PO4.

Keywords: 
KDP- family, crystal structure, hydrogen bonds, hardness, fracture toughness.

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