Festkörperprobleme 17 pp 109-134 | Cite as
Modern theories of chemical bonding in crystals
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Abstract
Traditional methods for treating chemical bonding in crystals, including classical size and electronegativity parameters and Huckel atomic orbital methods, are compared with several modern approaches. Local pseudopotential theories, dielectric theory and ℓ (nonlocal) atomic radii have given results that are more accurate than the classical methods, yet still are quantum-mechanical in character. A distinction is made between pedagogical models and more realistic and more accurate models.
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References
- [1]W. B. Pearson, Handbook of Lattice Spacings and Structures of Metals, Vol. 2 (Pergamon Press, New York, 1967); The Crystal Chemistry and Physics of Metals and Alloys (Wiley, New York, 1972).Google Scholar
- [2]M. Hansen, Constitution of Binary Alloys (McGraw-Hill, N.Y., 1958); R. P. Elliott Constitution of Binary Alloys, First Supplement (McGraw-Hill, N.Y., 1965); F. A. Shunk Constitution of Binary Alloys, Second Supplement (McGraw-Hill, N.Y., 1969).Google Scholar
- [3]E. Parthe, Crystal Chemistry of Tetrahedral Structures (Gordon and Breach, N.Y., 1970).Google Scholar
- [4]N. B. Hannay (Editor), Treatise on Solid State Chemistry (Seven Volumes) (Plenum Press, New York, 1973–77).Google Scholar
- [5]J. C. Phillips, Rev. Mod. Phys. 42, 317 (1970); also Chap. 1, Vol. I of ref. [4].CrossRefADSGoogle Scholar
- [6]D. E. Aspnes, C. G. Olson and D. W. Lynch, Phys. Rev. Lett. 37, 766 (1976).CrossRefADSGoogle Scholar
- [7]L. Pauling, The Nature of the Chemical Bond (Cornell University Press, Ithaca, 1960).Google Scholar
- [8]L. S. Darken and R. W. Gurry, Physical Chemistry of Metals (McGraw-Hill, N.Y., 1953); J. T. Waber et al., Trans. Metall. Soc. AIME 227, 717 (1963).Google Scholar
- [9]J. C. Slater and G. F. Koster, Phys. Rev. 94, 1498 (1954).MATHCrossRefADSGoogle Scholar
- [10]K. C. Pandey and J. C. Phillips, Phys. Rev. 13B, 750 (1976).ADSGoogle Scholar
- [11]M. L. Cohen, V. Heine and D. Weaire, in Solid State Physics 24 (1970).Google Scholar
- [12]N. D. Lang and W. Kohn, Phys. Rev. B1, 4555 (1970); B3, 1215 (1971).CrossRefADSGoogle Scholar
- [13]O. Gunnarson, H. Hjelmberg and B. I. Lundquist Phys. Rev. Lett. 37, 292 (1976); J. P. Perdew and R. Monnier, Phys. Rev. Lett. 37, 1286 (1976).CrossRefADSGoogle Scholar
- [14]J. A. Appelbaum and D. R. Hamann, Phys. Rev. Lett. 32, 225 (1974).CrossRefADSGoogle Scholar
- [15]J. A. Appelbaum and D. R. Hamann, Phys. Rev. Lett. 34, 806 (1975).CrossRefADSGoogle Scholar
- [16]S. G. Louie and M. L. Cohen, Phys. Rev. Lett. 35, 866 (1975).CrossRefADSGoogle Scholar
- [17]M. Schluter, to be published.Google Scholar
- [18]K. C. Pandey, T. Sakurai and H. D. Hagstrum, Phys. Rev. Lett. 35, 1728 (1975).CrossRefADSGoogle Scholar
- [19]K. C. Pandey, Phys. Rev., 14B, 1557 (1976).ADSGoogle Scholar
- [20]L. Kleinman and J. C. Phillips, Phys. Rev. 125, 819 (1962).CrossRefADSGoogle Scholar
- [21]J. C. Phillips, Phys. Rev. 166, 832 (1968).CrossRefADSGoogle Scholar
- [22]A. Morita, T. Soma and T. Takeda, J. Phys. Soc. Jap. 32, 29 (1972).ADSCrossRefGoogle Scholar
- [23]W. Weber, Phys. Rev. Lett. 33, 371 (1974); K. C. Rustagi and W. Weber, Sol. State Comm. 18, 673 (1976).CrossRefADSGoogle Scholar
- [24]J. C. Phillips, Solid State Physics 18, 56 (1966).CrossRefGoogle Scholar
- [25]M. L. Cohen and T. K. Bergstresser, Phys. Rev. 141, 789 (1966).CrossRefADSGoogle Scholar
- [26]J. C. Phillips, Phys. Rev. Lett. 20, 550 (1968).CrossRefADSGoogle Scholar
- [27]J. C. Phillips, Bonds and Bands in Semiconductors (Academic Press, N.Y., 1973).Google Scholar
- [28]J. A. Van Vechten, Phys. Rev. 182, 891 (1969); 187, 1007 (1969); B7, 1479 (1973).CrossRefADSGoogle Scholar
- [29]A. Navrotsky and J. C. Phillips, Phys. Rev. 11B, 1583 (1975).ADSGoogle Scholar
- [30]M. L. Cohen, Science 179, 1189 (1973); J. P. Walter and M. L. Cohen, Phys. Rev. Lett. 26 17 (1971).CrossRefADSGoogle Scholar
- [31]J. A. Van Vechten, Phys. Rev. B10, 4222 (1974).CrossRefADSGoogle Scholar
- [32]W. A. Harrison, Phys. Rev. B8, 4487 (1973).CrossRefADSGoogle Scholar
- [33]J. C. Phillips, Phys. Rev. Lett. 34, 1196 (1975).CrossRefADSGoogle Scholar
- [34]W. A. Harrison, Phys. Rev. 14B, 702 (1976).ADSGoogle Scholar
- [35]W. A. Harrison and J. C. Phillips, Phys. Rev. Lett. 33, 410 (1974).CrossRefADSGoogle Scholar
- [36]G. Simons, J. Chem. Phys. 55, 756 (1971); G. Simons and A. N. Bloch, Phys. Rev. 7B, 2754 (1973).CrossRefADSGoogle Scholar
- [37]E. Fues, Ann. Physik 80, 367 (1926).CrossRefADSGoogle Scholar
- [38]T. Regge, Nuovo Cimento 14, 951 (1959). Titles of many papers in the literature now contain phrases such as “Reggeizing” and “Reggeons”.MATHMathSciNetCrossRefGoogle Scholar
- [39]A. N. Bloch and G. Simons, J. Am. Chem. Soc., 94, 8611 (1972); E. S. Machlin, Acta Metall. (to be published).CrossRefGoogle Scholar
- [40]J. St. John and A. N. Bloch, Phys. Rev. Lett. 33, 1095 (1974).CrossRefADSGoogle Scholar
- [41]J. C. Phillips, Sol. State Comm. (to be published).Google Scholar
- [42]E. S. Machlin, T. P. Chow and J. C. Phillips, Phys. Rev. Lett. (in press).Google Scholar
- [43]J. R. Chelikowsky and J. C. Phillips (to be published).Google Scholar
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