强关联电子体系的量子蒙特卡罗计算

许霄琰

doi:10.7498/aps.71.20220079

摘要

理解强关联电子体系是一个长期的重要目标, 该体系的魅力不仅在于其背后蕴藏着深刻的物理, 还在于其中涌现出的丰富物质态在量子调控、量子计算等领域具有巨大的潜在应用价值. 同时, 理论上非微扰地理解强关联电子体系是极其困难的, 一直充满挑战. 量子蒙特卡罗计算是一类非微扰计算的标准方法, 有助于对强关联电子体系提供非微扰的理解, 因而广泛运用于凝聚态和高能物理领域. 然而, 量子蒙特卡罗计算通常会受到负符号问题的困扰. 本文将具体介绍一些无负符号关联电子模型的设计思路, 并讨论我们近期提出的符号边界理论. 通过设计无负符号或者具有代数符号行为的强关联电子模型, 可以帮助人们研究很多重要的量子多体问题, 包括巡游磁性量子临界行为、非常规超导和磁性序的竞争, 以及莫尔(moiré)量子物质中的关联物相与相变等.

关键词:

Abstract

Understanding strongly correlated electrons is an important long-term goal, not only for uncovering fundamental physics behind, but also for their emergence of lots of novel states which have potential applications in quantum control and quantum computations. Meanwhile, the strongly correlated electrons are usually extremely hard problems, and it is generally impossible to understand them unbiasedly. Quantum Monte Carlo is a typical unbiased numeric method, which does not depend on any perturbation, and it can help us to exactly understand the strongly correlated electrons, so that it is widely used in high energy and condensed matter physics. However, quantum Monte Carlo usually suffers from the notorious sign problem. In this paper, we introduce general ideas to design sign problem free models and discuss the sign bound theory we proposed recently. In the sign bound theory, we build a direct connection between the average sign and the ground state properties of the system. We find usually the average sign has the conventional exponential decay with system size increasing, leading to exponential complexity; but for some cases it can have algebraic decay, so that quantum Monte Carlo simulation still has polynomial complexity. By designing sign problem free or algebraic sign behaved strongly correlated electron models, we can approach to several long outstanding problems, such as the itinerant quantum criticality, the competition between unconventional superconductivity and magnetism, as well as the recently found correlated phases and phase transitions in moiré quantum matter.

Keywords:

作者及机构信息

许霄琰

上海交通大学物理与天文学院, 上海　200240

通信作者: 许霄琰, xiaoyanxu@sjtu.edu.cn

基金项目: 国家重点研发计划(批准号: 2021YFA1401400)、上海浦江人才计划(批准号: 21PJ1407200)和阳阳发展基金资助的课题.

Authors and contacts

Xu Xiao-Yan

School of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240, China

Corresponding author: Xu Xiao-Yan, xiaoyanxu@sjtu.edu.cn

Funds: Project supported by the National Key R&D Program of China (Grant No. 2021YFA1401400), the Shanghai Pujiang Program, China (Grant No. 21PJ1407200), and the Yangyang Development Fund, China.

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参考文献

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施引文献

图 1 巡游反铁磁量子临界晶格模型和计算结果^[73]　(a) 巡游反铁磁量子临界模型示意图; (b) EMUS动量空间网格; (c) 巡游反铁磁量子临界模型的相图

Fig. 1. Itinerant antiferromagnetic quantum critical lattice model and results^[73]: (a) Schematic diagram of itinerant antiferromagnetic quantum critical lattice model; (b) momentum mesh for EMUS; (c) phase diagram of itinerant antiferromagnetic quantum critical lattice model.

下载: 全尺寸图片幻灯片

图 2 巡游铁磁量子临界晶格模型计算结果^[74]　(a) 巡游铁磁量子临界晶格模型示意图; (b) 巡游铁磁量子临界点上费米子自能虚部和频率的关系; (c) 扣除热涨落的贡献之后, 费米子自能虚部与频率的关系

Fig. 2. Results of itinerant ferromagnetic quantum critical lattice model^[74]: (a) Schematic phase diagram of itinerant ferromagnetic quantum critical lattice model; (b) the relation between imaginary part of fermionic self-energy at itinerant ferromagnetic quantum critical point and Matsubara frequency; (c) after deducting the thermal effect, the relation between the imaginary part of the fermionic self-energy at itinerant ferromagnetic quantum critical point and Matsubara frequency.

下载: 全尺寸图片幻灯片

图 3 d-波超导和反铁磁竞争晶格模型^[81]　(a) 模型示意图(黑色圆点表示费米子格点, 上面定义了一个仅有最近邻跃迁的哈伯德模型; 菱形点上定义了量子转子模型, 红色和蓝色表示转子与费米子横向和纵向库珀对算符的耦合具有相反的相位); (b) V/t = 0.5时, 模型的平均场相图

Fig. 3. Lattice model with competition of d-wave superconductivity and antiferromagnetic^[81]: (a) Schematic diagram of the lattice model (The black dots denote fermion sites, onside is a Hubbard model with only nearest neighbor hopping. A quantum rotor model is defined on diamond points, where red and blue colors denote opposite phase of the coupling between the rotors and the cooper pairing operator along horizontal direction and the vertical direction); (b) the mean-field phase diagram of the model at V/t = 0.5.

下载: 全尺寸图片幻灯片

图 4 团簇电荷关联模型示意图(a), (c), (e)和相图(b), (d), (f)^[92]　(a), (b) 单谷(轨道)模型; (c), (d) 双谷(轨道)模型; (e), (f) 修正后的双谷(轨道)模型

Fig. 4. Schematic diagram (a), (c), (e) and phase diagram (b), (d), (f) of cluster charge correlation model^[92]: (a), (b) Single-valley (orbital) model; (c), (d) two-valley (orbital) model; (e), (f) modified two-valley (orbital) model.

下载: 全尺寸图片幻灯片

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[51]	Xu X Y, Sun K, Schattner Y, Berg E, Meng Z Y 2017 Phys. Rev. X 7 031058 Google Scholar
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[61]	Moriya T 1985 Spin Fluctuations in Itinerant Electron Magnetism (Berlin: Springer) pp44–81
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[67]	Metlitski M A, Sachdev S 2010 Phys. Rev. B 82 075127 Google Scholar
[68]	Abanov A, Chubukov A V, Schmalian J 2003 Adv. Phys. 52 119 Google Scholar
[69]	Metlitski M A, Sachdev S 2010 Phys. Rev. B 82 075128 Google Scholar
[70]	Schattner Y, Gerlach M H, Trebst S, Berg E 2016 Phys. Rev. Lett. 117 097002 Google Scholar
[71]	Schattner Y, Lederer S, Kivelson S A, Berg E 2016 Phys. Rev. X 6 031028 Google Scholar
[72]	Liu Z H, Xu X Y, Qi Y, Sun K, Meng Z Y 2019 Phys. Rev. B 99 085114 Google Scholar
[73]	Liu Z H, Pan G, Xu X Y, Sun K, Meng Z Y 2019 Proc. Natl. Acad. Sci. USA 116 16760 Google Scholar
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