4.3 Article

Variational Monte Carlo study of electron differentiation around mott transition

Journal

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
Volume 77, Issue 9, Pages -

Publisher

PHYSICAL SOC JAPAN
DOI: 10.1143/JPSJ.77.093703

Keywords

variational Monte Carlo method; strongly correlated electron systems; Hubbard model; Mott transition; Fermi arc

Funding

  1. Ministry of Education., Culture. Sports. Science and Technology [17071003, 16076212, 17064004]

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We study ground-state properties of the two-dimensional Hubbard model at half filling by improving variational Monte Carlo method and by implementing quantum-number projection and multi-variable optimization. The improved variational wave function enables a highly accurate description of the Mott transition and strong fluctuations in metals. We clarify how anomalous metals appear near the first-order Mott transition. The double occupancy stays nearly constant as a function of the on-site Coulomb interaction in the metallic phase near the Mott transition in agreement with the previous unbiased results. This unconventional metal at half filling is stabilized by a formation of electron-like pockets coexisting with an arc structure, which leads to a prominent differentiation of electrons in momentum space. Ail abrupt collapse of' the pocket and arc drives the first-order Mott transition.

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