Effect of A-site doping on thermal properties of LaGaO_3

摘要

The thermal and allied properties of rare earth orthogallates LnGaO_3 (Ln = La, Ce, Nd, Pr), La_(1-x)Ce_xGaO_3, La_(1-x)Pr_xGaO_3 and La_(1-x)Nd_xGaO_3 (x = 0.2, 0.4, 0.6, 0.8) were investigated in this work by means of a Modified Rigid Ion Model (MRIM). Theoretically, MRIM provides arguably the most realistic interaction potential to treat these properties. We have computed the variation of specific heat and volume thermal expansion coefficient for these orthogallates in wide temperature range (0 K <= T <= 1200 K). The computed results on Bulk modulus (B), Debye temperature (θ_d) and specific heat (C_p) obtained from MRIM have presented proper interpretation of the experimental data for LnGaO_3 (Ln = La, Ce, Nd, Pr) compounds. The specific heat results can be further improved by including the crystalline electric field contribution to the specific heat.