4.6 Article

Microscopic description of orbital-selective spin ordering in BaMn2As2

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PHYSICAL REVIEW B
卷 97, 期 20, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.97.205114

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  1. CNPq [304035/2017-3]

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Using generalized gradient approximation+dynamical mean-field theory, we provide amicroscopic description of orbital-selective spin ordering in the tetragonalmanganese pnictideBaMn(2)As(2). We demonstrate the coexistence of local moments and small band-gap electronic states in the parent compound. We also explore the role played by electron/ hole doping, showing that the Mott insulating state is rather robust to small removal of electron charge carriers similar to cuprate oxide superconductors. Good qualitative accord between theory and angleresolved photoemission as well as electrical transport provides support to our view of orbital-selective spin ordering in BaMn2As2. Our proposal is expected to be an important step to understanding the emergent correlated electronic structure of materialswith persisting ordered localized moments coexistingwith Coulomb reconstructed nonmagnetic electronic states.

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