Local Fields, Polarization, and Electrode Effects in Systems of Induced Dipoles

✍ Scribed by M. De Benedictis; N. Farag; H. Kliem

• Publisher: John Wiley and Sons
• Year: 2001
• Tongue: English
• Weight: 186 KB
• Volume: 227
• Category: Article
• ISSN: 0370-1972
• DOI: 10.1002/1521-3951(200110)227:2<491::aid-pssb491>3.0.co;2-g

✦ Synopsis

As is known, the Lorentz formula can be used to calculate the local electric field at atoms on cubic lattice sites and to calculate the electrical polarization of the lattice. While in this case the lattice consists of only one species of atoms, the present article describes a numerical method to calculate the local field and the polarization of materials with two species of atoms in a lattice of finite size. The atoms are different with respect to their polarizabilities. To calculate the local fields in a finite system of dipoles embedded between electrodes, the method of images is used. In addition, the effect of the electrodes with their image dipoles on the polarization is investigated for the case of identical atoms, i.e., atoms with the same polarizability: an air gap between the dipole lattice and one of the two electrodes is assumed and varied, and the local fields and induced moments on the lattice sites are calculated.