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Correction

Correction: Anders et al. First Principle Surface Analysis of YF3 and Isostructural HoF3. Materials 2022, 15, 6048

Institute for Chemistry and Biochemistry, Freie Universität Berlin, Arnimallee 22, 14195 Berlin, Germany
*
Author to whom correspondence should be addressed.
Materials 2023, 16(14), 4997; https://doi.org/10.3390/ma16144997
Submission received: 28 March 2023 / Accepted: 25 May 2023 / Published: 14 July 2023
In the original publication [1], there was a mistake in Table 2 and Figure 2 as published. Within Table 2, the coordination numbers of the two stoichiometric terminations of surface (011) have been flipped [showing (011)-1 and (011)-2 with 6,6,8,8 and 7,7,9,9, respectively]. Figure 2 showed the surface of (011)-2 in the first row, third image with the same incorrect coordination numbers of 7,7,9,9 instead of 6,6,8,8. The authors state that the scientific conclusions are unaffected. This correction was approved by the Academic Editor. The original publication has also been updated.

Reference

  1. Anders, J.; Limberg, N.; Paulus, B. First Principle Surface Analysis of YF3 and Isostructural HoF3. Materials 2022, 15, 6048. [Google Scholar] [CrossRef] [PubMed]
Figure 2. Most stable terminations of the relaxed surface structures: the coordination number of the surface metals (CNsurf) and the surface energies in J m−2 (Esurf) are given. The first entry corresponds to YF3 and the second to HoF3. The mean of both values corresponds to the given order from top left to bottom right. Each (hkl) slab is rotated in a way to show the surface coordination best. For (111), two surfaces are given, as (111)-2 is preferred by YF3 and (111)-3 by HoF3.
Figure 2. Most stable terminations of the relaxed surface structures: the coordination number of the surface metals (CNsurf) and the surface energies in J m−2 (Esurf) are given. The first entry corresponds to YF3 and the second to HoF3. The mean of both values corresponds to the given order from top left to bottom right. Each (hkl) slab is rotated in a way to show the surface coordination best. For (111), two surfaces are given, as (111)-2 is preferred by YF3 and (111)-3 by HoF3.
Materials 16 04997 g001
Table 2. The YF3 (PBE) and HoF3 (PBE+U d /3 eV/4f-in-core) surfaces with respective terminations (term.), slab thickness in layers of formula units without terminal F-deficit ( L MF 3 ), nominal surface net charge ( q surf ) in e, surface energies of relaxed ( E surf ) and unrelaxed slabs ( E surf unrel . ) in J m 2 , as well as the relaxed surface metal coordination number (CN surf ). The lowest surface energies per ( h k l ) cut are highlighted in bold. For these, also the abundance obtained by the Wulff plot (% surf ) is given.
Table 2. The YF3 (PBE) and HoF3 (PBE+U d /3 eV/4f-in-core) surfaces with respective terminations (term.), slab thickness in layers of formula units without terminal F-deficit ( L MF 3 ), nominal surface net charge ( q surf ) in e, surface energies of relaxed ( E surf ) and unrelaxed slabs ( E surf unrel . ) in J m 2 , as well as the relaxed surface metal coordination number (CN surf ). The lowest surface energies per ( h k l ) cut are highlighted in bold. For these, also the abundance obtained by the Wulff plot (% surf ) is given.
L MF 3 CN surf E surf ( E surf unrel . )% surf
( h k l )term. q surf YF3HoF3YF3HoF3YF3HoF3YF3HoF3
(100)1020245,91.61 (2.87)0.93 (1.48)
2022266,91.03 (2.02)0.58 (0.96)7%25%
3+120245,81.24 (1.61)0.62 (0.68)
4+222264,71.79 (2.14)0.87 (0.90)
(010)1010128,80.58 (0.84)0.47 (0.49)26%34%
2+210126,61.80 (2.05)1.52 (1.52)
(001)1020245,8,8,91.23 (2.45)1.37 (2.25)
2022266,7,8,90.58 (1.39)0.67 (1.16)10%6%
3+222264,5,8,91.27 (1.70)1.23 (1.29)
(110)1020246,8,81.01 (1.80)0.99 (1.59)5%0%
2022266,8,81.00 (2.41)1.00 (2.18)
3+222264,6,94,6,81.42 (1.73)2.09 (1.36)
(101)1020246,7,8,80.82 (1.48)0.89 (1.33)
2020246,6,8,80.82 (3.34)0.88 (3.17)
3+120246,7,8,80.76 (1.16)0.69 (0.89)20%14%
4+122265,6,7,95,6,8,81.07 (2.10)1.03 (1.70)
5+220244,5,8,85,6,8,80.98 (1.39)0.99 (0.99)
(011)1010127,7,9,90.78 (1.30)0.81 (1.14)
2010126,6,8,80.61 (1.32)0.68 (1.15)22%13%
3+210124,4,8,81.25 (1.68)1.35 (1.38)
(111)1020246,7,7,87,7,8,81.02 (3.46)0.87 (3.29)
2+120245,6,8,80.83 (1.30)0.82 (1.04)10%
3+122266,6,7,91.05 (1.70)0.75 (1.11) 7%
4+220245,5,7,70.93 (1.22)0.95 (1.13)
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MDPI and ACS Style

Anders, J.; Limberg, N.; Paulus, B. Correction: Anders et al. First Principle Surface Analysis of YF3 and Isostructural HoF3. Materials 2022, 15, 6048. Materials 2023, 16, 4997. https://doi.org/10.3390/ma16144997

AMA Style

Anders J, Limberg N, Paulus B. Correction: Anders et al. First Principle Surface Analysis of YF3 and Isostructural HoF3. Materials 2022, 15, 6048. Materials. 2023; 16(14):4997. https://doi.org/10.3390/ma16144997

Chicago/Turabian Style

Anders, Jennifer, Niklas Limberg, and Beate Paulus. 2023. "Correction: Anders et al. First Principle Surface Analysis of YF3 and Isostructural HoF3. Materials 2022, 15, 6048" Materials 16, no. 14: 4997. https://doi.org/10.3390/ma16144997

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