Skelton, Richard; Walker, Andrew M.
The material properties of the common phosphate mineral apatite are influenced by the identity of the channel anion, which is usually F−, Cl−, or (OH)−. Density functional theory calculations have been used to determine the effect of channel anion identity on the compressibility and structure of apatite. Hydroxyapatite and fluorapatite are found to have similar zero pressure bulk moduli, of 79.2 and 82.1 GPa, respectively, while chlorapatite is considerably more compressible, with K0 = 55.0...[Show more]
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