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 language | English (US) |
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Article number | 134 |
Journal | npj Computational Materials |
Volume | 6 |
Issue number | 1 |
DOIs |
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State | Published - Dec 1 2020 |
ASJC Scopus subject areas
- Modeling and Simulation
- General Materials Science
- Mechanics of Materials
- Computer Science Applications