Realizing multiorbital Hubbard model with commensurate fillings in the paramagnetic phase of triangular magnets
Year: 2024
Type: article
Abstract: \n\nThe multiorbital Hubbard model is renowned for its rich phase diagram, characterized by various filling-dependent Mott transitions. However, controlling electron filling to explore the complete phase diagram within a single material remains challenging. In this study, we investigate three members of a correlated magnet family: Na2BaX(PO4)2 (where X = Mn, Co, Ni). Our focus is on revealing their unusual electronic structure related to the different electron fillings. Despite differences in their effective angular momentum, our first-principles calculations reveal a strikingly similar flat-band electronic structure across all three systems. Remarkably, we found that their distinct valence configurations lead to a similar response to electronic correlations in the high-temperature paramagnetic phases, which nicely realizes Mott states with different electron concentrations. Thus, these systems can be conceptualized as multiorbital Hubbard models with differing electron fillings. Our work unifies the understanding of these structurally similar systems and opens new avenues for exploring correlated electronic structures with distinct fillings.\n
Authors: Cong Hu, Xuefeng Zhang, Gang Li
Institution: ShanghaiTech University
Language: English
Subfield: Condensed Matter Physics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W6903526759
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