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EnglishAfter the publication of the paper, a bug in the quantum espresso (qe) distribution concerning the calculation of Born effective charges in the presence of nonlinear core corrections was corrected. Since all the pseudopotentials used included nonlinear core corrections, below we update the tables containing data affected by the bug. In practice, this leads to changes of a few percent in the Born effective charges and in the bare Fröhlich interaction (computed via the Born effective charges). Importantly, the latter parameter is now much closer to the corresponding value fitted on direct electron-phonon calculations. This bug thus explains the previously observed mismatch discussed in the second paragraph of Sec. V of the original paper. The other results, and in particular the figures, were computed via direct phonon calculations and were not affected by the bug. (Table Presented).
Erratum: Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations (Physical Review B (2016) 94 (085415) DOI: 10.1103/PhysRevB.94.085415) / Sohier, Thibault; Calandra, Matteo; Mauri, Francesco. - In: PHYSICAL REVIEW. B. - ISSN 2469-9969. - ELETTRONICO. - 96:15(2017), pp. 159904.1-159904.1. [10.1103/PhysRevB.96.159904]
| Titolo: | Erratum: Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations (Physical Review B (2016) 94 (085415) DOI: 10.1103/PhysRevB.94.085415) | |
| Autori: | Sohier, Thibault; Calandra, Matteo; Mauri, Francesco | |
| Autori Unitn: | ||
| Titolo del periodico: | PHYSICAL REVIEW. B | |
| Anno di pubblicazione: | 2017 | |
| Numero e parte del fascicolo: | 15 | |
| Codice identificativo Scopus: | 2-s2.0-85037687284 | |
| Codice identificativo WOS: | WOS:000413847800007 | |
| Digital Object Identifier (DOI): | http://dx.doi.org/10.1103/PhysRevB.96.159904 | |
| Handle: | http://hdl.handle.net/11572/259864 | |
| Citazione: | Erratum: Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations (Physical Review B (2016) 94 (085415) DOI: 10.1103/PhysRevB.94.085415) / Sohier, Thibault; Calandra, Matteo; Mauri, Francesco. - In: PHYSICAL REVIEW. B. - ISSN 2469-9969. - ELETTRONICO. - 96:15(2017), pp. 159904.1-159904.1. [10.1103/PhysRevB.96.159904] | |
| Appare nelle tipologie: | 03.1 Articolo su rivista (Journal article) |
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| File | Descrizione | Tipologia | Licenza | |
|---|---|---|---|---|
| PhysRevB.96.159904.pdf | Versione editoriale (Publisher’s layout) | Tutti i diritti riservati (All rights reserved) | Open Access Visualizza/Apri |
http://hdl.handle.net/11572/259864
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