Application of the Hellmann-Feynman theorem to the study of substitutional impurities in a linear chain of atoms |
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| Authors: | P. Villaseñor-González Jesús Urías J.L. Morán-López |
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| Affiliation: | Universidad Autónoma de San Luis Potosí, Instituto de Física 78240 San Luis Potosí, S.L.P., México;Centro de Investigación y de Estudios Avanzados del IPN, Departamento de Física, Apdo. Postal 14-740, 07000 México D.F. |
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| Abstract: | ![]()
The Hellmann-Feynman theorem is applied to calculate the effects produced by substitutional impurities in a linear chain of atoms. In particular, within the tight binding Hamiltonian, we present exact results for the change in energy of the system caused by the impurity. |
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