화학공학소재연구정보센터
Thermochimica Acta, Vol.557, 20-23, 2013
Lattice energies and polarizabilities of lanthanide gallium garnets (Ln(3)Ga(5)O(12))
Lattice energies Delta H-L(0) of lanthanide gallium garnets Ln(3)Ga(5)O(12) (Ln = Nd-Lu) have been determined from the Born-Haber thermochemical cycle and compared with those previously obtained by atomistic simulations in the Born model or calculated by an empirical equation. The Born-Haber cycle yields the lowest values among the three methods. Molar polarizations P-m of Ln(3)Ga(5)O(12) have been calculated by the Debye equation. It has been found that the partial derivative (partial derivative Delta H-L(theta/)partial derivative P-m) corresponds by magnitude to the shear moduli of these crystals. (C) 2013 Elsevier B.V. All rights reserved.