Ab initio calculation of energy levels for phosphorus donors in silicon

Abstract The s manifold energy levels for phosphorus donors in silicon are important input parameters for the design and modeling of electronic devices on the nanoscale. In this paper we calculate these energy levels from first principles using density functional theory. The wavefunction of the dono...

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Bibliographic Details
Main Authors: J. S. Smith, A. Budi, M. C. Per, N. Vogt, D. W. Drumm, L. C. L. Hollenberg, J. H. Cole, S. P. Russo
Format: Article
Language:English
Published: Nature Portfolio 2017-07-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-017-06296-8