期刊
PHYSICAL REVIEW B
卷 87, 期 23, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.87.235133
关键词
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资金
- US Department of Energy, Office of Basic Energy Sciences, Materials Science and Engineering Division [DE-AC02-76SF00515, DE-FC0206ER25793]
- National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE [DE-NA0001842-0]
- NSERC
- SHARCNET (Canada)
- Department of Defense (DoD) through the National Defense Science and Engineering Graduate Fellowship (NDSEG) Program
- National Science Foundation [1147470]
- Office of Science of the US Department of Energy [DE-AC02-05CH11231]
- Division Of Graduate Education
- Direct For Education and Human Resources [1147470] Funding Source: National Science Foundation
We have performed numerical studies of the Hubbard-Holstein model in two dimensions using determinant quantum Monte Carlo (DQMC). Here, we present details of the method, emphasizing the treatment of the lattice degrees of freedom, and then study the filling and behavior of the fermion sign as a function of model parameters. We find a region of parameter space with large Holstein coupling where the fermion sign recovers despite large values of the Hubbard interaction. This indicates that studies of correlated polarons at finite carrier concentrations are likely accessible to DQMC simulations. We then restrict ourselves to the half-filled model and examine the evolution of the antiferromagnetic structure factor, other metrics for antiferromagnetic and charge-density-wave order, and energetics of the electronic and lattice degrees of freedom as a function of electron-phonon coupling. From this we find further evidence for a competition between charge-density-wave and antiferromagnetic orders at half-filling.
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