The recusion method
- 1 October 1983
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine Part B
- Vol. 48 (4) , 391-396
- https://doi.org/10.1080/13642818308246490
Abstract
A first-principles tight-binding calculation of the localized states associated with the ideal and reconstructed vacancies in diamond and silicon is presented. The vacancy potential is calculated from first principles and is fitted to an analytic function. This, together with a basis set of Gaussian s- and p-orbitals, yields Hamiltonian and overlap matrix elements which are processed by the recursion method to give the local electronic density of states. A comparison of the results of the electronic energy calculations is made with those of other workers.Keywords
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