Competition between electronic correlations and hybridization in CaMn2_{2}Bi2_{2}

preprint2021arXivOpen access

Abstract

We study the interplay between electronic correlations and hybridization in the low-energy electronic structure of CaMn2_2Bi2_2, a candidate hybridization-gap semiconductor. Utilizing a DFT+UU approach we find both the antiferromagnetic Néel order and band gap in good agreement with the corresponding experimental values. We further find that, under hydrostatic pressure, the band gap is mainly governed by magnetic correlations, whereas hybridization has a greater impact on states at higher band energies. This result suggests that CaMn2_2Bi2_2 is more closely related to the high-temperature superconducting cuprates and iron pnictides than the heavy fermion class of materials. Finally, we also find the antiferromagnetic CaMn2_2Bi2_2 to be topologically trivial for all pressures studied.

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