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Employing first principles density functional calculations, together with solution of the low-energy, model Hamiltonian constructed in a first principles manner, we explored the origin of magnetism and trend in Cr-based double perovskite series, SrCrBO (B=W/Re/Os). Our study shows that the apparently puzzling trend in SrCrBO (B=W/Re/Os) series can be understood in terms of the interplay of the hybridization driven mechanism and the super-exchange mechanism.

生成讲解博客的中文版本

生成AI智能校验的中文版本