1986
DOI: 10.1002/qua.560300732
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The noble gas atoms as impurities in silicon

Abstract: Ground state one-electron energies have been calculated for the substitutional and interstitial helium, neon, and argon impurities in silicon by use of the self-consistent-field multiple-scattering X, method within the framework of the Watson-sphere-terminated molecular cluster model. The substitutional noble gas atoms are found to inhibit the rebonding of the first neighbor's dangling bonds through orthogonality repulsion. The interstitial nobel gas atoms induce empty shallow levels close to the bottom of the… Show more

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