Abstract
The behaviour of the impurity modes due to a pair of substitutional impurities characterized by both mass as well as force-constant changes and occupying nearest neighbour positions in a diatomic linear chain, is studied. The results are compared with those for the case of impurity pairs occupying next nearest neighbour sites discussed earlier as well as the existing three dimensional calculations of Elliott and Pfeuty. The nearest neighbour impurity pair gap and local modes can be interpreted in terms of two single impurities substituted in the two different sublattices unlike the next nearest neighbour pair modes. The inband resonant modes are totally new features characteristic of the pair. Finally, the predictions of the theory are compared with the available experimental data for Si-impurity-pair-complexes and qualitative agreement is shown.
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Behera, S.N., Patnaik, K. Impurity pair modes in a diatomic linear chain: nearest neighbour pair. Pramana - J. Phys. 7, 102–112 (1976). https://doi.org/10.1007/BF02875319
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DOI: https://doi.org/10.1007/BF02875319