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- W2019912681 abstract "The ability of apatites to retain radionuclides and improvement in this ability through annealing, has led us to carry out a study of apatite structure and microstructure. Band structure calculations for a number of reference apatites (fluorapatite; chloroapatite and bromoapatite) have been carried out. The results of these calculations show that the substitution on the A-site causes a slight change in the shape of the density of states without any Fermi level shift or bandgap change. However it has been noticed that a change occurred in the charge and potential distributions in the Ca II environment. The Mulliken population and the projected state density analysis are consistent with a highly ionic model for these apatites." @default.
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- W2019912681 date "2004-01-01" @default.
- W2019912681 modified "2023-09-25" @default.
- W2019912681 title "Study of apatite behaviour in the presence of the radionuclides U and Rn and local modification of their crystalline and electronic structure" @default.
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