AbstractThe relationships are given between thermoelastic properties and higher‐order (third and fourth order) elastic constants for twenty alkali halides with NaCl and CsCl structures, and for four alkaline earth oxides viz. MgO, CaO, SrO, and BaO crystals. Expressions for thermoelastic quantities such as the Grüneisen parameter and its volume derivative, Anderson parameters, and thermal expansion coefficient, are obtained in terms of higher‐order elastic constants. These expressions provide a new method for estimating thermoelastic quantities from higher‐order elastic constants. Calculations are performed using an interionic potential model which takes account of three body interactions, van der Waals interactions, and overlap repulsive interactions upto second neighbours. The results are discussed and compared with experimental data.

AbstractThe crystalline properties of sixteen alkali halides of NaCl type are calculated using the generalized Huggins‐Mayer form of the Born model for an ionic solid. Values of potential parameters calculated from recent thermodynamic data and new van der Waals coefficients are used. The pressure dependence of bulk modulus, Grüneisen parameter, Anderson parameters, thermal expansion coefficient, volume derivatives of the Grüneisen parameter are calculated, and compared with experimental data. The present investigation is superior to other previous studies in respect of taking consistent account of the thermodynamic contribution in determining potential parameters.

AbstractThe effect is investigated of recently calculated van der Waals potentials and new ultrasonic elastic data on thermal energy, crystal binding energy, and compressibility of alkali halide crystals within the framework of Hildebrand and Mie‐Grüneisen equations of state. Recent experimental data on the compression of LiF crystal are compared with the results calculated in the present work. It is found that the Hildebrand equation of state using an exponential form alongwith the vdW interactions yields better agreement with experimental data than those obtained from other potential models based on an inverse power form or the Mie‐Grüneisen equation of state.

physica status solidi (b)Volume 125, Issue 1 p. K21-K26 Short Note Analysis of the Equation of State for LiF Crystal J. Shanker, J. Shanker Physics Department, Agra College Search for more papers by this authorW. N. Bhende, W. N. Bhende Physics Department, Agra College Dharampeth College, Nagpur, India.Search for more papers by this authorP. S. Bakhshi, P. S. Bakhshi Physics Department, Agra College Search for more papers by this author J. Shanker, J. Shanker Physics Department, Agra College Search for more papers by this authorW. N. Bhende, W. N. Bhende Physics Department, Agra College Dharampeth College, Nagpur, India.Search for more papers by this authorP. S. Bakhshi, P. S. Bakhshi Physics Department, Agra College Search for more papers by this author First published: 1 September 1984 https://doi.org/10.1002/pssb.2221250154Citations: 2 Agra 282002, India. AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat References 1 R. Boehler and G. C. Kennedy, J. Phys. Chem. Solids 41, 1019 (1980). 10.1016/0022-3697(80)90053-0 CASWeb of Science®Google Scholar 2 F. Murnaghan, Proc. Nat. Acad. Sci. 30, 244 (1944). 10.1073/pnas.30.9.244 CASPubMedWeb of Science®Google Scholar 3 F. Birch, Phys. Rev. 71, 809 (1947). 10.1103/PhysRev.71.809 CASWeb of Science®Google Scholar 4 A. Keane, Austral. J. Phys. 7, 3 (1954). 10.1071/PH540322 Google Scholar 5 F. Birch, J. geophys. Res. 83, 1257 (1978). 10.1029/JB083iB03p01257 CASWeb of Science®Google Scholar 6 M. P. Verma and B. Dayal, Phys. stat. sol. 3, 901 (1963); 10.1002/pssb.19630030509 CASWeb of Science®Google Scholar Phys. stat. sol. 6, 545 (1964). 10.1002/pssb.19640060224 CASWeb of Science®Google Scholar 7 D. L. Decker, J. appl. Phys. 36, 157 (1965); 10.1063/1.1713864 CASWeb of Science®Google Scholar J. appl. Phys. 37, 5012 (1966). 10.1063/1.1708196 CASWeb of Science®Google Scholar 8 J. Shanker and K. Singh, Phys. stat. sol. (b) 115, 381 (1983). 10.1002/pssb.2221150207 CASWeb of Science®Google Scholar 9 A. L. Rouff and L. C. Chhabildas, J. appl. Phys. 47, 4867 (1976). 10.1063/1.322538 Web of Science®Google Scholar 10 J. Shanker, V. C. Jain, and J. P. Singh, Phys. Rev. B 22, 1083 (1980). 10.1103/PhysRevB.22.1083 CASWeb of Science®Google Scholar 11 S. O. Lundqvist, Ark. Fys. 9, 435 (1955). CASWeb of Science®Google Scholar 12 P. O. Löwdin, Adv. Phys. 5, 1 (1956). 10.1080/00018735600101155 Web of Science®Google Scholar 13 J. Shanker, G. G. Agrawal, and R. P. Singh, J. chem. Phys. 69, 670 (1978). 10.1063/1.436632 CASWeb of Science®Google Scholar 14 M. P. Tosi, Solid State Phys. 16, 1 (1964). 10.1016/S0081-1947(08)60515-9 CASWeb of Science®Google Scholar 15 J. Shanker and D. P. Agrawal, J. Phys. Chem. Solids 41, 1003 (1980). 10.1016/0022-3697(80)90107-9 CASWeb of Science®Google Scholar 16 D. W. Hafemeister and W. H. Flygare, J. chem. Phys. 43, 795 (1965). 10.1063/1.1696846 CASWeb of Science®Google Scholar 17 W. Cochran, CRC Crit. Rev. Solid State Sci. 2, 1 (1971). 10.1080/10408437108243425 CASGoogle Scholar Citing Literature Volume125, Issue11 September 1984Pages K21-K26 ReferencesRelatedInformation

AbstractThe applicability of the Woodcock potential form is considered for studying the crystalline properties of alkali halides. This potential form represents the composite form of the inverse power dependence and the exponential dependence of the repulsive energy on interionic distance. The cohesive energy, pressure derivative of bulk modulus, thermal expansion coefficient, and the Grüneisen‐Anderson parameters are calculated for sixteen NaCl‐structure alkali halide crystals. The results are discussed and compared with available experimental data. The corresponding values obtained from the Born‐Landé inverse power form and from the Born‐Mayer exponential form are also presented for the sake of comparison. The important contribution is the finding that the Woodcock potential is applicable to all the three states viz. molecular state, liquid or molten state, and crystalline state of alkali halides.

Chemischer InformationsdienstVolume 15, Issue 22 Physical Inorganic Chemistry ChemInform Abstract: MOLECULAR PROPERTIES OF DIATOMIC ALKALI HALIDES A. J. KAUR, A. J. KAURSearch for more papers by this authorR. K. GUPTA, R. K. GUPTASearch for more papers by this authorP. S. BAKHSHI, P. S. BAKHSHISearch for more papers by this authorJ. SHANKER, J. SHANKERSearch for more papers by this author A. J. KAUR, A. J. KAURSearch for more papers by this authorR. K. GUPTA, R. K. GUPTASearch for more papers by this authorP. S. BAKHSHI, P. S. BAKHSHISearch for more papers by this authorJ. SHANKER, J. SHANKERSearch for more papers by this author First published: May 29, 1984 https://doi.org/10.1002/chin.198422001Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat No abstract is available for this article. Volume15, Issue22May 29, 1984 RelatedInformation

An analysis of the cohesive energies in 45 chalcogenide (II–VI) crystals with the NaCl structure has been performed within the framework of the Born model. The repulsive interactions between nearest and next nearest neighbour ions as well as the van der Waals energies arising from the dipole-dipole and the dipole-quadrupole interactions are considered to contribute to the cohesive energy. The van der Waals interaction energies are estimated using the Slater-Kirkwood variational formulae. The calculations are performed using two different potential forms for the repulsive energy showing the exponential dependence and the inverse power dependence on inter-ionic separation. The cohesive energies have been calculated by considering all the contributions along with zero point energy. The resulting values are in close agreement with available experimental thermodynamic data.

Chemischer InformationsdienstVolume 10, Issue 50 Physical Inorganic Chemistry ChemInform Abstract: ANALYSIS OF THE CRYSTAL BINDING AND THE ANDERSON-GRUNEISEN PARAMETERS IN THE HALIDES OF COPPER(I), SILVER(I) AND THALLIUM(I) J. SHANKER, J. SHANKERSearch for more papers by this authorP. S. BAKHSHI, P. S. BAKHSHISearch for more papers by this authorL. P. SHARMA, L. P. SHARMASearch for more papers by this author J. SHANKER, J. SHANKERSearch for more papers by this authorP. S. BAKHSHI, P. S. BAKHSHISearch for more papers by this authorL. P. SHARMA, L. P. SHARMASearch for more papers by this author First published: December 11, 1979 https://doi.org/10.1002/chin.197950001AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinkedInRedditWechat No abstract is available for this article. Volume10, Issue50December 11, 1979 RelatedInformation

The theory of the elastic-dielectric has been applied to obtain the expressions for the photoelastic constants of the solid crystallizing in zinc-blende structure and thereby to explain the anomalous photoelastic behaviour of the cupruous halides, recently observed by Biegelesen et al.

An analysis of the crystal binding for the halides of copper(I), silver(I) and thallium(I) has been performed using the Born model. The van der Waals dipole-dipole and dipole-quadrupole potentials are calculated from an interpolation scheme based on the Slater-Kirkwood variational method. Three different forms for the short range repulsive energy are adopted to calculate the binding energies of the crystals under study. The Born-Mayer exponential law is found to yield best agreement with experiment. The analysis has been extended to evaluate the Anderson-Gruneisen parameters which are related to the thermoelastic behaviour of crystals.

Recently Biegelsen et al. have observed the anomalous photoelastic behaviour of CuCl, CuBr and CuI crystals. In this communication, we present a quantitative analysis of this behaviour within the framework of the Clausius—Mossotti theory of dielectric constant.

In the present communication the expressions for the photoelastic constants of the solids crystallizing in cesium chloride structure have been derived on the basis of lattice theory. These expressions have been utilized to predict the magnitudes of photoelastic constants in thallium halides. On the basis of these constants the validity of the Clausius-Mossotti model of electronic polarization in silver and thallium halides has been discussed.