2008/01/31 by Md.A. Hossain, M. A. Hossain, Zhiwei Hu +22 · 1 citation
Chemistry · Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Antiferromagnetism #Atomic orbital #Chemistry #Computer science #Condensed matter physics #Crystal (programming language) #Crystallography #Doping #Electron #Magnetic and transport properties of perovskites and related materials #Materials science #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Valence (chemistry) #cond-mat.str-el
paper · pdf · doi:10.1103/physrevlett.101.016404
published as Phys. Rev. Lett. 101, 016404 (2008) · A high-resolution version can be found at http://www.physics.ubc.ca/~quantmat/ARPES/PUBLICATIONS/Articles/MnSr3Ru2O7_XAS.pdf
arxiv created 2008/06/17 · openalex publication_date 2008/07/03 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
Sr3(Ru_1\ensuremath-xMnx)2O7, in which 4d-Ru is substituted by the more localized 3d-Mn, is studied by x-ray dichroism and spin-resolved density functional theory. We find that Mn impurities do not exhibit the same 4+ valence of Ru, but act as 3+ acceptors; the extra eg electron occupies the in-plane 3d_x2\ensuremath-y2 orbital instead of the expected out-of-plane 3d_3z2\ensuremath-r2. We propose that the 3d\ensuremath-4d interplay, via the ligand oxygen orbitals, is responsible for this crystal-field level inversion and the material's transition to an antiferromagnetic, possibly orbitally ordered, low-temperature state.