First-principles calculations for point defects in solids

By Christoph Freysoldt, Blazej Grabowski, Tilmann Hickel, Jörg Neugebauer, Georg Kresse, A. Janotti, C. Walle. 2014

2,021 citations recorded by the source corpus.

Subfields: Condensed Matter Physics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/17416eff96b5310e1995c10c6b21b59794a945fa

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Condensed Matter Physics

1. Audrius Alkauskas
2. Alexandre Tkatchenko
3. C. G. Van de Walle

In Materials Chemistry

1. Miguel A. L. Marques
2. Silvana Botti
3. Jonathan Schmidt
4. Pedro Borlido
5. Ahmad W. Huran
6. P. J. Strohbeen
7. Audrius Alkauskas
8. Juan‐Pablo Correa‐Baena

Citations in the corpus

• The Role of Surface Oxygen Vacancies in BiVO4 (2020, background): “The term ∆ q is a charge-state dependent correction due to the finite size of the supercell, 60 which allows for the extraction of the defect properties in the dilute limit.”
• First-principles theory of the luminescence lineshape for the triplet transition in diamond NV centres (2014, methodology): “7 3797 [44] Freysoldt C, Grabowski B, Hickel T, Kresse G, Janotti A, Neugebauer J and Van de Walle CG 2014 First-principles calculations for point defects in solids Rev.”