Effect of A-site doping on thermal properties of LaGaO3

The thermal and allied properties of rare earth orthogallates LnGaO3 (Ln = La, Ce, Nd, Pr), La1−xCexGaO3, La1−xPrxGaO3 and La1−x NdxGaO3 (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 (θD) and specific heat (CP) obtained from MRIM have presented proper interpretation of the experimental data for LnGaO3 (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.

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► Specific heat results are in good agreement with the available experimental data.
► LnGaO3 compounds are most suitable as substrate materials in HTSC devices.
► Suitable as interconnecting materials in solid oxide fuel cells (SOFC).
► This makes their thermal behavior a highly important research object.