Formation energies of substitutional sodium and potassium in hydroxyapatite

Materials Transactions

Volumn 50, Issue 5, 2009, Pages 1041-1045

  Matsimaga, Katsuyuki ^a,b   Murata, Hidenobu ^a  

^a KYOTO UNIVERSITY   (Japan)

^b JAPAN FINE CERAMICS CENTER   (Japan)

Author keywords

Defect association; Electronic structure calculation; Hydroxyapatite; Ionic substitution; Solution pH

Indexed keywords

AQUEOUS SOLUTIONS; CHEMICAL EQUILIBRIUMS; ELECTRONIC STRUCTURE CALCULATION; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; INTERSTITIAL PROTONS; IONIC SUBSTITUTION; SOLUTION PH; SUBSTITUTIONAL DEFECTS; SUPER CELL; TOTAL ENERGY;

CALCIUM; DEFECTS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HYDROXYAPATITE; PHASE EQUILIBRIA; TOOTH ENAMEL;

APATITE;

EID: 67650472794     PISSN: 13459678     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans.MC200819     Document Type: Conference Paper

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