Block spin magnetism and metal-insulator transition in a two-dimensional Hubbard model with perfect vacancy superstructure

Details Block spin magnetism and metal-insulator transition in a two-dimensional Hubbard model with perfect vacancy superstructure Block spin magnetism and metal-insulator transition in a two-dimensional Hubbard model with perfect vacancy superstructure

2011-02-20

arxiv.org/abs/1102.4074v3

Phys. Rev. B 83, 180413(R)(2011)

Physics

Condensed Matter

Strongly Correlated Electrons

4+ pages, 5 figures, references and note updated based on the published version

Scientific paper

We study the phase diagram of a square lattice Hubbard model with a perfect vacancy superstructure. The model can be also defined on a new bipartite lattice with each building blocks consisting of a minimal square. The non-interacting model is exactly solved and a mid-band gap opens at the Fermi energy in the weak inter-block hopping regime. Increasing the Coulomb interaction will develop the N\'eel antiferromagnetic order with varying block spin moments. The metal-insulator transition with $U_{\rm MI}$ smaller than the one without vacancies occurs above the magnetic instability $U_{\rm M}$. The emergent intermediate magnetic metal phase develops substantially in the moderate inter-block hopping regime. Drastic increases in the ordered moment and gap magnitude on the verge of non-interacting band insulator signal a possible distinction between the magnetic semi-conductor and the Mott-insulator. The implications of these results for the recent discovered (A,Tl)$_{y}$Fe$_{2-x}$Se$_2$ compounds are discussed.

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