Bulk modulus-volume relationship for some crystals with a rock salt structure

Abstract

Anderson and Nafe [J. Geophys. Res. 70, 3951 (1965)] pointed out that while log K-log V plots for a large number of crystals have a slope of −1, the plot for oxide compounds has a slope of −4. Recent data on the bulk modulus of eight oxides with a NaCl structure are examined. It is observed that the log K-log V plot for these crystals has a slope of −1 and not −4. From this plot it is estimated that these oxides have an effective ionic charge of about 0.8. The data on lead chalcogenides are also examined. It is shown that from the two widely different values of the bulk modulus of PbSe, the physically acceptable value can be sifted out from the log K-log V plot.

Cohesive energy of zincblende (AIIIBV and AIIBVI) structured solids

“…In a previous work [11], we proposed a simple relation for dielectric constant of chalcopyrite structured solids in terms of the product of ionic charges and nearest neighbour distance by the following relation, Sirdeshmukh et al [21] found that substantially reduced ionic charges must be All experimental values are from [13]. …”

An empirical model for bulk modulus and cohesive energy of rocksalt‐, zincblende‐ and chalcopyrite‐structured solids

“…Krishnan-Roy theory [35], Jayaraman et al [36] and Sirdeshmukh and Subhadra [37] found that substantially reduced ionic charges must be used to get better agreement with experimental values. Ionic charge depends on the number of valence electrons.…”

“…They observe that in the plots of log B 0 and log V 0 ; the divalent and trivalent chalcogenides lie on lines nearly parallel to the line for the alkali halides. Sirdeshmukh and Subhadra [37] have examined the bulk modulus of eight divalent oxides. They observe that in the plot of bulk modulus and unit-cell volume the divalent chalcogenides lie on a line nearly parallel to the line for the alkali halide and eight divalent oxides.…”

“…For alkali halides, fluorides, sulfides and telluride they find x to be 1 and for oxide compounds x is close to 4. Recently, [5,9,19,21,[36][37][38] many theoretical approaches have been reported to determine the value of bulk modulus of solid-state compounds. Cohen [19] predicted that the zero-pressure isothermal bulk modulus B in terms of nearest-neighbor distance d (in Å) for rocksalt-type crystal structure compounds (alkali halides) might be expressed as…”

Electronic and optical properties of zinc blende and complex crystal structured solids

“…Krishnan-Roy theory [26], Jayaraman et al [27] and Sirdeshmukh et al [28] found that substantially reduced ionic charges must be used to get better agreement with experimental values. The crystal ionicity of chalcopyrite compounds exhibits a linear relationship when plotted against nearest-neighbor distance, C chalcopyrites: C chalcopyrites:…”