Correction to Structural Tolerance Factor Approach to Defect-Resistant I2-II-IV-X4Semiconductor Design (Chemistry of Materials (2020) 32:4 (1636-1649) DOI: 10.1021/acs.chemmater.9b05107)


Journal Article

© XXXX American Chemical Society. In our original manuscript, the energy band structure of Ag2PbSiS4 in the Ama2† structure, shown in Figure 11d and calculated at the level of the hybrid density functional HSE06, was mistakenly calculated without including the effects of spin-' orbit coupling (SOC). The corresponding computed energy gap (Table 4) and optical properties (Figure 12) for this compound also did not include SOC. For all other compounds for which computational results are provided, SOC was included correctly.

Full Text

Duke Authors

Cited Authors

  • Sun, JP; McKeown Wessler, GC; Wang, T; Zhu, T; Blum, V; Mitzi, DB

Published Date

  • January 1, 2020

Published In

Electronic International Standard Serial Number (EISSN)

  • 1520-5002

International Standard Serial Number (ISSN)

  • 0897-4756

Digital Object Identifier (DOI)

  • 10.1021/acs.chemmater.0c02346

Citation Source

  • Scopus