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Electronic structures of monoclinic LiMnO 2 and LiMn 0.9375 Al 0.0625 O 2 with ferromagnetic (FM) and antiferromagnetic (AF) ordering have been investigated by ab initio calculation within spin-polarized generalized gradient approximation method. An Al-doping induced complicated AF configuration has been calculated to be the ground state, which suggests a robust Al-doping...
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