Ab initio exact diagonalization simulation of the Nagaoka transition in quantum dots

Wang, Yao; Dehollain, Juan Pablo; Liu, Fang; Mukhopadhyay, Uditendu; Rudner, Mark S.; Vandersypen, Lieven M.  K.; Demler, Eugene

doi:10.1103/physrevb.100.155133

Title: Ab initio exact diagonalization simulation of the Nagaoka transition in quantum dots

Journal Article · Mon Oct 21 00:00:00 EDT 2019 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.100.155133· OSTI ID:1577808

^[1];

^[2]; Liu, Fang ^[3];

^[4]; Rudner, Mark S. ^[5];

^[4]; Demler, Eugene ^[1]

Harvard Univ., Cambridge, MA (United States)
Delft Univ. of Technology (Netherlands); Univ. of Technology Sydney, Ultimo NSW (Australia)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Delft Univ. of Technology (Netherlands)
Univ. of Copenhagen (Denmark)

Recent progress of quantum simulators provides insight into the fundamental problems of strongly correlated systems. To adequately assess the accuracy of these simulators, the precise modeling of the many-body physics, with accurate model parameters, is crucially important. In this paper, we employed an ab initio exact diagonalization framework to compute the correlated physics of a few electrons in artificial potentials. We apply this approach to a quantum-dot system and study the magnetism of the correlated electrons, obtaining good agreement with recent experimental measurements in a plaquette. Through control of dot potentials and separation, including geometric manipulation of tunneling, we examine the Nagaoka transition and determine the robustness of the ferromagnetic state. While the Nagaoka theorem considers only a single-band Hubbard model, in this work we perform extensive ab initio calculations that include realistic multiorbital conditions in which the level splitting is smaller than the interactions. In this work, this simulation complements the experiments and provides insight into the formation of ferromagnetism in correlated systems. More generally, our calculation sets the stage for further theoretical analysis of analog quantum simulators at a quantitative level.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF); US Air Force Office of Scientific Research (AFOSR); Defense Advanced Research Projects Agency (DARPA); Netherlands Organization for Scientific Research (NWO); Villum Foundation

Grant/Contract Number:: AC02-05CH11231; DMR-1308435; FA95501610323; D18AC00014

OSTI ID:: 1577808

Journal Information:: Physical Review. B, Vol. 100, Issue 15; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Nagaoka ferromagnetism observed in a quantum dot plaquette Dehollain, J. P.; Mukhopadhyay, U.; Michal, V. P. Nature, Vol. 579, Issue 7800 https://doi.org/10.1038/s41586-020-2051-0	journal	March 2020
Quantum entanglement, local indicators, and the effect of external fields in the Kugel-Khomskii model Valiulin, V. E.; Mikheyenkov, A. V.; Chtchelkatchev, N. M. Physical Review B, Vol. 102, Issue 15 https://doi.org/10.1103/physrevb.102.155125	journal	October 2020

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