TY - JOUR
T1 - Evaluating Second-Order Phase Transitions with Diagrammatic Monte Carlo: Néel Transition in the Doped Three-Dimensional Hubbard Model
AU - Lenihan, Connor
AU - Kim, Aaram
AU - Simkovic, Fedor
AU - Kozik, Evgeny
N1 - Funding Information:
This work was partially supported by EPSRC through Grant No. EP/P003052/1 and by the Simons Foundation as a part of the Simons Collaboration on the many electron problem. We are grateful to the UK Materials and Molecular Modelling Hub for computational resources, which is partially funded by EPSRC (EP/P020194/1). A .J. K. acknowledges support from ERC Consolidator Grant No. 724103.
Publisher Copyright:
© 2022 American Physical Society.
PY - 2022/9/2
Y1 - 2022/9/2
N2 - Diagrammatic Monte Carlo - the technique for the numerically exact summation of all Feynman diagrams to high orders - offers a unique unbiased probe of continuous phase transitions. Being formulated directly in the thermodynamic limit, the diagrammatic series is bound to diverge and is not resummable at the transition due to the nonanalyticity of physical observables. This enables the detection of the transition with controlled error bars from an analysis of the series coefficients alone, avoiding the challenge of evaluating physical observables near the transition. We demonstrate this technique by the example of the Néel transition in the 3D Hubbard model. At half filling and higher temperatures, the method matches the accuracy of state-of-the-art finite-size techniques, but surpasses it at low temperatures and allows us to map the phase diagram in the doped regime, where finite-size techniques struggle from the fermion sign problem. At low temperatures and sufficient doping, the transition to an incommensurate spin density wave state is observed.
AB - Diagrammatic Monte Carlo - the technique for the numerically exact summation of all Feynman diagrams to high orders - offers a unique unbiased probe of continuous phase transitions. Being formulated directly in the thermodynamic limit, the diagrammatic series is bound to diverge and is not resummable at the transition due to the nonanalyticity of physical observables. This enables the detection of the transition with controlled error bars from an analysis of the series coefficients alone, avoiding the challenge of evaluating physical observables near the transition. We demonstrate this technique by the example of the Néel transition in the 3D Hubbard model. At half filling and higher temperatures, the method matches the accuracy of state-of-the-art finite-size techniques, but surpasses it at low temperatures and allows us to map the phase diagram in the doped regime, where finite-size techniques struggle from the fermion sign problem. At low temperatures and sufficient doping, the transition to an incommensurate spin density wave state is observed.
UR - http://www.scopus.com/inward/record.url?scp=85138244119&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.129.107202
DO - 10.1103/PhysRevLett.129.107202
M3 - Article
SN - 0031-9007
VL - 129
JO - Physical Review Letters
JF - Physical Review Letters
IS - 10
M1 - 107202
ER -