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
- MEXT
- 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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