Exact results for imperfect crystals obtained by a new matrix method
- 1 January 1986
- journal article
- Published by EDP Sciences in Journal de Physique
- Vol. 47 (3) , 473-481
- https://doi.org/10.1051/jphys:01986004703047300
Abstract
The exact analytical expressions for the diagonal and off-diagonal elements of the Green function, the local and total density of states, and the free-energy are derived from the real space representation, in the form of infinite matrices, of the tight-binding Hamiltonian describing a crystal perturbed by a vacancy or a surface. The feasibility of this matrix method, which offers a most simple and rigourous treatment of simple defect models in crystals, is thus establishedKeywords
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- On the electronic structure of liquid transitional metalsAdvances in Physics, 1967