4.6 Article

Spin-state transition and phase separation in a multiorbital Hubbard model

Journal

PHYSICAL REVIEW B
Volume 80, Issue 5, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.054410

Keywords

electronic structure; ferromagnetic materials; Hubbard model; magnetic structure; Monte Carlo methods; phase separation; spin waves

Funding

  1. MEXT
  2. Grand Challenges in Next-Generation Integrated Nanoscience

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We study the spin-state transition and the phase separation involved in this transition based on the multiorbital Hubbard model. Multiple spin states are realized by changing the energy separation between two orbitals and the on-site Hund coupling. By utilizing the variational Monte-Carlo simulation, we analyze the electronic and magnetic structures in hole doped and undoped states. Electronic phase separation occurs between the low-spin band insulating state and the high-spin ferromagnetic metallic state. The difference in the band widths of the two orbitals is of prime importance for the spin-state transition and the phase separation.

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