Erratum: Deep elastic strain engineering of bandgap through machine learning (Proceedings of the National Academy of Sciences of the United States of America (2020) 116 (4117-4122) DOI: 10.1073/pnas.1818555116)

Abstract

Correction for “Deep elastic strain engineering of bandgap through machine learning,” by Zhe Shi, Evgenii Tsymbalov, Ming Dao, Subra Suresh, Alexander Shapeev, and Ju Li, which was first published February 15, 2019; 10.1073/pnas.1818555116 (Proceedings of the National Academy of Sciences of the United States of America116, 4117-4122). The authors note that “In Fig. 2A, the 6D strain tensor for zero-bandgap was not reported in the [100],[010],[001] coordinate frame, contrary to the rest of the article. The correct values of the strain tensor for the [001],[010],[001] frame along with the revised figure legend are included below. This correction does not alter any conclusions in the paper. We apologize for the error.” The corrected figure and its corrected legend appear below. Fig. 2. (A) The most energy-efficient strain pathway to reach the zero-bandgap state, i.e., the lower-envelope function Eglower (h) in silicon corresponding to the red-dotted line in Fig. 1C. The zero-bandgap state (open red circle on the horizontal axis of Fig. 1C) corresponds to the deformation case of e1 = -5.4928%, e2 = 2.416%, e3 = 1.3348%, e4 = 1.1057%, e5 = -1.096%, and e6 = 0.5024% in [001],[010],[001] coordinate frame. (B) GW band structure associated with this deformation. The fractional coordinates for the three high-symmetry points along the selected k path are (0.5, 0, 0), (0, 0, 0), and (0.5, 0, 0.5), respectively.