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20022026
most citedMany-body perturbation theory calculations using the yambo code

529 citations

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cond-mat.mtrl-sci2010★ 62 cited

Phase separation and surface segregation in ceria-zirconia solid solutions

Ricardo Grau-Crespo, Nora H. de Leeuw, Said Hamad +1

Using a combination of density functional theory calculations and statistical mechanics, we show that a wide range of intermediate compositions of ceria - zirconia solid solutions…