Elastic, vibrational, and thermodynamic properties of Sr10(PO4)6F2 and Ca10(PO4)6F2 from first principles

Elastic, vibrational, and thermodynamic properties of Sr₁₀(PO₄)₆F₂ and Ca₁₀(PO₄)₆F₂ from first principles

Kong Xianggang¹, Yuan Zhihong¹, Yu You², Gao Tao^{1, 3, †}, Ma Shenggui¹

(color online) Calculated band structures for Sr-FAP (left) and Ca-FAP (right). The Fermi level is aligned to the zero and expressed by a dash line.