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Orbital Ordering and Exchange Interactions in RMnO 3 Perovskites J. B. Goodenough, U.T. Austin DMR-0555663
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Crystallographic structure of RMnO 3 LaPrNdSmEuGdTb Dy Y HoErTmYbLu Synthesized under ambient pressure Synthesized under high pressure Synthesized under ambient pressure O3O3 O4O4 O1O1 O4O4 R2R2 O2O2 O4O4 O4O4 O3O3 R2R2 R2R2 R1R1 Mn 3+ ion MnO 5 Bipyramid O3O3 O4O4 O4O4 a 3z 2 - r (x 2 -y 2 ) ± ixy yz ± ixz 2 c xy, yz, zx 3x 2 - r 2 y 2 - z 2 MnO 6 Octahedra 1 cc Pbnm P6 3 cm
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Magnetic phase diagram of RMnO 3 Perovskites Although the same orbital ordering takes place over entire family of RMnO 3 perovskites, there are three magnetic phases: Type-A spin ordering, No classic spin ordering, Type-E spin ordering.
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The evolution of structural distortions versus ionic size of the A-site Rare Earth The structure refinement from data of neutron and x-ray diffraction.
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The relationship between structural distortions and magnetic couplings in perovskite RMnO 3 J ab = J ab -J ab J c = -J c -J c J is sensitive to J is much less sensitive to = ( 1 + 2 2 )/3 180 - J ab ~ cos 4 ( /2)cos 2 ( /2)| 3x 1 2 - r 1 2 |H’|x 2 2 -z 2 2 | 2 /
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Check some numbers from Structure, T N and T JT (For Type-A spin ordering phase) dlnT N /d(IR) 9 Ǻ -1 dln(cos 2 ( /2))/d(IR) 0.4 Ǻ -1 dln(cos 4 ( /2))/d(IR), wrong sign dln( -1 ))/d(IR) 7 Ǻ -1 ( ~ kT JT, mean-field theory) Conclusions * Type-A spin ordering phase for R=La-Gd J ab is weakened primarily by , not by the angle . * No classic spin ordering phase for R= Tb, Dy A |J ab | ~ |J ab | leads to the exchange interaction frustration. * Type-E spin ordering phase for R= Y-Lu Segregation into J ab dominant and J ab dominant Mn-O-Mn bonds occurs.
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