Charge-orbital Ordering, Magnetic State, and Exchange Couplings in Quasi-One-Dimensional Vanadate V6O13

Charge and orbital ordering, magnetic state, and exchange couplings in quasi-one-dimensional vanadate V 6 O 13 , a potential cathode material for Li-ion batteries, are investigated using the density functional theory with Coulomb interaction correction method (DFT + U ). While the difference between...

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