Abstract
An optimization variational Monte Carlo method is formulated for a two-dimensional Hubbard model with doubly degenerate atomic orbitals. We use generalized Gutzwiller-type wave functions, which include all the possible intra-atomic correlations. As a demonstration, we show results of energy and some correlation functions for a special case; at a quarter filling and for large Coulomb interactions, a ferromagnetic state with an orbital order overcomes paramagnetic and superconducting states. However, this ferromagnetism is destabilized by electron doping or by introducing a diagonal transfer in one direction, both of which work as substantial frustrations.
Original language | English |
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Pages (from-to) | 1384-1387 |
Number of pages | 4 |
Journal | Journal of Physics and Chemistry of Solids |
Volume | 66 |
Issue number | 8-9 |
DOIs | |
Publication status | Published - 2005 Aug |
Keywords
- A. Oxides
- D. Electronic structure
- D. Magnetic properties
- D. Super conductivity
ASJC Scopus subject areas
- Chemistry(all)
- Materials Science(all)
- Condensed Matter Physics