Author Correction: Machine-learned impurity level prediction for semiconductors: the example of Cd-based chalcogenides (npj Computational Materials, (2020), 6, 1, (39), 10.1038/s41524-020-0296-7)

Arun Mannodi-Kanakkithodi*, Michael Y. Toriyama, Fatih G. Sen, Michael J. Davis, Robert F. Klie, Maria K.Y. Chan*

*Corresponding author for this work

Research output: Contribution to journalComment/debatepeer-review

1 Scopus citations

Abstract

The authors became aware of a mistake in the original version of this Article. Specifically, some of the band gap values plotted and reported in Fig. 1c and Table SI-1 were incorrect. This error originated because two different types of k-point meshes were used in DFT computations performed on CdTe, CdSe and CdS: one which is gamma-centered and one which is not gamma-centered. The gamma-centered calculation results are the correct quantities; the non-gamma-centered results were mistakenly reported in the original versions of Fig. 1 and Table SI-1. As a result of this, the following changes have been made to the originally published version of this Article: The correct version of Fig. 1:(figure presented).

Original languageEnglish (US)
Article number134
Journalnpj Computational Materials
Volume6
Issue number1
DOIs
StatePublished - Dec 1 2020

ASJC Scopus subject areas

  • Modeling and Simulation
  • General Materials Science
  • Mechanics of Materials
  • Computer Science Applications

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