Abstract
Effect of pressure on thermal properties of a multiferroic (MF) novel compound PbVO3 is studied using an atomistic approach. The temperature dependence of the specific heat (CP) (20K ≤ T ≤ 300 K) of PbVO3 has been studied and compared with the earlier experimental work. Also, this work reports, probably for the first time the relation of pressure to the Debye temperature (θD) along with other properties like bulk modulus (B), molecular force constant (f), Reststrahlen frequency (ν0), thermal expansion (α) and Grüneisen parameter of PbVO3 with the Modified Rigid Ion Model (MRIM).
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