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(a) Distorted structure of MnO6 complex; (b) Mn cluster consists of four internal sites denoted from 1 to 4 and the environment consists of ten external sites denoted from 5 to 14 in a two-dimensional triangular lattice.
(Color online) The dependence of cos θ on hole doping concentration n in Na x MnO2 triangle lattice for different Hund’s coupling with t′ = 0.25 eV, J 1 = 65 K, and J 2 = 29 K.
Bond distances (Å) of distorted MnO6 octahedron with C2/ m structure. a mn denotes distances between atoms m and n shown in Fig. 1(a). Experimental data are deduced from neutron powder diffraction experiment (Ref. 4). δ is the error of theoretical and experimental data.
Averaged spin components of the central Mn cluster in undoped NaMnO2 with S = 2.
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