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20092026
most citedVacancy ordering and electronic structure of gamma-Fe2O3 (maghemite): a theoretical investigation

204 citations · 978 across the 32 of their papers we have counts for

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cond-mat.mtrl-sci2009★ 27 cited

Thermodynamics of hydrogen vacancies in MgH2 from first-principles calculations and grand-canonical statistical mechanics

R. Grau-Crespo, K. C. Smith, T. S. Fisher +2

Ab initio calculations and statistical mechanics are combined to elucidate the thermodynamics of H vacancies in MgH2. A general method based on a grand-canonical ensemble of defect…