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Investigation of the Equation of State and the Grüneisen Parameters for Transition Metal Oxides
Author(s) -
Agrawal S. K.,
Narain J.,
Shanker J.
Publication year - 1984
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221230213
Subject(s) - non blocking i/o , van der waals force , quadrupole , ion , dipole , oxide , metal , transition metal , chemistry , thermodynamics , atomic physics , physics , molecule , biochemistry , organic chemistry , catalysis
The equations of state of the four transition metal oxides MnO, FeO, CoO, and NiO are investigated from the knowledge of interionic potentials. Recently determined values of the Van der Waals dipole—dipole and dipole—quadrupole interaction energies are used in the present paper. The repulsive interaction energies for unlike ion pairs as well as like ion pairs are taken into account upto second neighbours. Different values of repulsive hardness parameters are used for different pair interactions. The compression values corresponding upto about 250 kbar are calculated and reported. Good agreement between theoretical and experimental values is obtained. The second neighbour interactions between the oxide ions are found to be quite significant and much stronger than the interaction between transition metal ions. Values of the Grüneisen parameter and its volume derivative are also estimated for the crystals under study.