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For closed-shell solids consisting of neutral noble gas atoms (Ne, Ar, Kr, Xe) or nonpolar neutral molecules (H2, N2, O2, CO2, etc), their structure is determined by the competition of the Van der Waals attraction and the overlap repulsion. In closed-shell solids consisting of ions, such as the NaCl, the Coulomb energy, instead of the Van der Waals, provides the main attraction, while the repulsion is still coming from the overlap energy. The lattice structure, the mechanical properties, and the electromagnetic response of these types of materials will be examined in this chapter by employing, when needed, the LCAO approach.
KeywordsBulk Modulus Ionic Compound Point Motion Ionic Solid Madelung Constant
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- Harrison in his book [SS76], pp. 291–337, treats the topics of this chapter in more details.Google Scholar
- In Ashcroft and Mermin book [SS75], mechanical, pp. 398–413, and optical, pp. 534–557, properties of closed-shell solids are studied.Google Scholar
- In the books by Kittel [SS74], pp. 455–474, and especially by Born and Huang [AW64], pp. 82–116, formulas for various optical quantities are derived.Google Scholar