Atahar Parveen

Investigations of Thermal Properties of Earth Mantle Silicates: ASiO3 (A = Mg, Ca)

We have investigated the thermal properties and specific heat of earth mantle silicates ASiO3 (A = Mg, Ca) by the means of rigid ion model (RIM) and compared them with the earlier experimental reports. The calculated specific heat of ASiO3 (A = Mg, Ca) obeys T3 law at low temperature (T < θD/50). The temperature dependence of the specific heat of MgSiO3 and CaSiO3 (0 K ≤ T ≤ 2000 K) is presented along with the elastic, cohesive and thermal properties, like Bulk modulus (B), cohesive energy (φ), molecular force constant (f), reststrahlen frequency (ν), Debye temperature (θD) and Gruneisen parameter (γ) at T = 300 K.

Thermal properties of a novel compound PbVO3

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 Gruneisen parameter of PbVO3 with the Modified Rigid Ion Model (MRIM).

Effect of Cation Radius on Heat capacity of AGeO3 (A = Mg, Ca) Perovskites

We report the effect of A‐site alkaline earth ion radius on thermal and cohesive properties of the germanate perovskites AGeO3 (A = Mg, Ca) computed by the means of a rigid ion model (RIM). We report the calculated lattice specific heat at very low temperatures which obeys T3 law thereby confirming the status of these materials as Debye solids. The trend of variation of lattice specific heat of these germanates in the temperature range (10 K⩽T⩽800 K) are in fair agreement with the available experimental data.

Specific Heat of Rare Earth Orthogallate NdGaO3

We have investigated the thermodynamic properties of rare earth orthogallate NdGaO3 probably for the first time by the means of a Modified Rigid Ion Model (MRIM). We have report cohesive energy (φ), Reststrahlen frequency (v), Debye temperature (θD) and Gruneisen parameter (γ) at room temperature. The variation of the specific heat (Cv) of NdGaO3 in the temperature range (0 K⩽ T⩽1200 K) is studied and compared with the available experimental data.

Effect of Temperature on Thermodynamic properties of PrGaO3

We report the temperature dependence of the specific heat of PrGaO3 at various temperatures (0 K<T<400 K) by means of a Modified Rigid ion model (MRIM). The Debye temperatures obtained from the lattice contributions are found to be in somewhat closer agreement with the available experimental data. The specific heat values presented in this work by using MRIM are in reasonable agreement with the available experimental data for the gallium compound. In addition, the results on the cohesive energy (φ) and the effect of temperature on molecular force constant ( ƒ), Reststrahlen frequency (ν) and Gruneisen parameter (γ) are also presented.