Quantum Monte Carlo Simulation of Frustrated Kondo Lattice Models

Nov 8, 2017
6 pages
Published in:
  • Phys.Rev.Lett. 120 (2018) 10, 107201
  • Published: Mar 8, 2018
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Abstract: (APS)
The absence of the negative sign problem in quantum Monte Carlo simulations of spin and fermion systems has different origins. World-line based algorithms for spins require positivity of matrix elements whereas auxiliary field approaches for fermions depend on symmetries such as particle-hole symmetry. For negative-sign-free spin and fermionic systems, we show that one can formulate a negative-sign-free auxiliary field quantum Monte Carlo algorithm that allows Kondo coupling of fermions with the spins. Using this general approach, we study a half-filled Kondo lattice model on the honeycomb lattice with geometric frustration. In addition to the conventional Kondo insulator and antiferromagnetically ordered phases, we find a partial Kondo screened state where spins are selectively screened so as to alleviate frustration, and the lattice rotation symmetry is broken nematically.
Note:
  • 6 pages, 5 figures, supplemental material