α- andβ-tricalcium phosphate: A density functional study
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چکیده
منابع مشابه
a - and b - tricalcium phosphate : A density functional study
Biologically important aand b-tricalcium phosphates ~TCPs! have been investigated using ab initio density functional calculations. aand b-TCP have particularly large unit cells amounting to 312 and 273 atoms, respectively. The relationship between a-TCP and its three subcells, as well as the influence of the distribution of the Ca vacancies apparently existing in b-TCP have been studied. The ca...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2003
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.68.205205