2008
DOI: 10.1088/0953-8984/21/4/045601
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Effects of layered structural features on charge/orbital ordering in (La,Sr)n+1MnnO3n+1(n= 1 and 2)

Abstract: The charge/orbital ordering (COO) of the layered mixed-valence manganites (La,Sr)(n+1)Mn(n)O(3n+1) (n = 1 and 2) is examined by first-principles calculations and discussed in comparison with the La(0.5)Ca(0.5)MnO(3) perovskite phase ([Formula: see text]). The results demonstrated that the layered structural features could yield not only visibly weak coupling between Mn-O layers but also various features in the orbital ordering associated with different types of local structural distortions. In both La(0.5)Sr(1… Show more

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Cited by 6 publications
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“…Of these the closest structural analogue to Sr 2 MnO 2 Cu 1.5 S 2 is the n = 1 Ruddlesden–Popper phase La 0.5 Sr 1.5 MnO 4 with a single layer of vertex-linked MnO 6 octahedra . Perovskite-type phases such as Nd 0.5 Sr 0.5 MnO 3 , La 1– x Ca x MnO 3 , and Pr 1– x Ca x MnO 3 , are also well characterized materials in which the CE-type magnetic structure is observed and the n = 2 Ruddlesden–Popper type compound LaSr 2 Mn 2 O 7 is close to this regime. , The adoption of the CE-type magnetic structure in the pure oxide manganites is explained by both checkerboard-type charge order of Mn ions (conveniently described as Mn 3+ and Mn 4+ , but several experimental and theoretical works suggest that the difference in electron count is about 0.1) ,, and in-plane orientational ordering of the first order Jahn–Teller distortion in the Mn 3+ octahedra (so-called orbital ordering). In La 0.5 Sr 1.5 MnO 4 the charge ordering and orbital ordering is evident below a transition at about 220 K, and several experiments have probed the two types of order directly. In Sr 2 MnO 2 Cu 1.5 S 2 the only long-range structural order apparent in bulk diffraction measurements arises from Cu/vacancy order.…”
Section: Resultsmentioning
confidence: 99%
“…Of these the closest structural analogue to Sr 2 MnO 2 Cu 1.5 S 2 is the n = 1 Ruddlesden–Popper phase La 0.5 Sr 1.5 MnO 4 with a single layer of vertex-linked MnO 6 octahedra . Perovskite-type phases such as Nd 0.5 Sr 0.5 MnO 3 , La 1– x Ca x MnO 3 , and Pr 1– x Ca x MnO 3 , are also well characterized materials in which the CE-type magnetic structure is observed and the n = 2 Ruddlesden–Popper type compound LaSr 2 Mn 2 O 7 is close to this regime. , The adoption of the CE-type magnetic structure in the pure oxide manganites is explained by both checkerboard-type charge order of Mn ions (conveniently described as Mn 3+ and Mn 4+ , but several experimental and theoretical works suggest that the difference in electron count is about 0.1) ,, and in-plane orientational ordering of the first order Jahn–Teller distortion in the Mn 3+ octahedra (so-called orbital ordering). In La 0.5 Sr 1.5 MnO 4 the charge ordering and orbital ordering is evident below a transition at about 220 K, and several experiments have probed the two types of order directly. In Sr 2 MnO 2 Cu 1.5 S 2 the only long-range structural order apparent in bulk diffraction measurements arises from Cu/vacancy order.…”
Section: Resultsmentioning
confidence: 99%