Skip to content
Licensed Unlicensed Requires Authentication Published by De Gruyter (O) August 25, 2010

The calculation of the electrostatic lattice energy of polar crystals by slice-wise summation, with an application to BeO

Abstract

In the calculation of the electrostatic part of the lattice energy of polar crystals by slice-wise summation, as occurs in the Madelung method, an extra energy term, Ecorr, is needed. This term is due to a double limit to infinity, one parallel to the slices, the other perpendicular to them. It was found that Ecorr = – 2πμ2/V, where μ is the dipole moment of the slice and V the unit cell volume. The method is applied to BeO.

Published Online: 2010-08-25
Published in Print: 1982
Downloaded on 23.5.2024 from https://www.degruyter.com/document/doi/10.1524/zkri.1982.161.3-4.259/html
Scroll to top button