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Hubbard model on the Bethe lattice via variational uniform tree states: Metal-insulator transition and a Fermi liquid 通过变分均匀树态的贝特晶格上的哈伯德模型:金属-绝缘体跃迁和费米液体
Pub Date : 2020-10-13 DOI: 10.1103/PHYSREVRESEARCH.3.023054
P. Lunts, A. Georges, E. Stoudenmire, M. Fishman
We numerically solve the Hubbard model on the Bethe lattice with finite coordination number $z=3$, and determine its zero-temperature phase diagram. For this purpose, we introduce and develop the `variational uniform tree state' (VUTS) algorithm, a tensor network algorithm which generalizes the variational uniform matrix product state algorithm to tree tensor networks. Our results reveal an antiferromagnetic insulating phase and a paramagnetic metallic phase, separated by a first-order doping-driven metal-insulator transition. We show that the metallic state is a Fermi liquid with coherent quasiparticle excitations for all values of the interaction strength $U$, and we obtain the finite quasiparticle weight $Z$ from the single-particle occupation function of a generalized "momentum" variable. We find that $Z$ decreases with increasing $U$, ultimately saturating to a non-zero, doping-dependent value. Our work demonstrates that tensor-network calculations on tree lattices, and the VUTS algorithm in particular, are a platform for obtaining controlled results for phenomena absent in one dimension, such as Fermi liquids, while avoiding computational difficulties associated with tensor networks in two dimensions. We envision that future studies could observe non-Fermi liquids, interaction-driven metal-insulator transitions, and doped spin liquids using this platform.
在有限配位数$z=3$的Bethe晶格上对Hubbard模型进行了数值求解,并确定了其零温度相图。为此,我们引入并发展了“变分一致树状态”(VUTS)算法,这是一种将变分一致矩阵积状态算法推广到树张量网络的张量网络算法。我们的结果揭示了反铁磁绝缘相和顺磁性金属相,由一阶掺杂驱动的金属-绝缘体转变分离。我们证明了金属态是具有相干准粒子激发的费米液体,其相互作用强度为$U$,并且我们从广义动量变量的单粒子占据函数中得到了有限准粒子质量$Z$。我们发现$Z$随着$U$的增加而减小,最终饱和到一个非零的、与掺杂相关的值。我们的工作表明,树格上的张量网络计算,特别是VUTS算法,是一个平台,可以获得一维中不存在的现象(如费米液体)的受控结果,同时避免与二维张量网络相关的计算困难。我们设想未来的研究可以使用这个平台观察非费米液体、相互作用驱动的金属绝缘体转变和掺杂自旋液体。
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引用次数: 4
High-pressure synthesis of Ba2RhO4, a rhodate analog of the layered perovskite Sr-ruthenate Ba2RhO4的高压合成,Ba2RhO4是层状钙钛矿Sr-ruthenate的rhodate类似物
Pub Date : 2020-10-13 DOI: 10.1103/PHYSREVMATERIALS.5.015001
I. Kurata, J. A. Flores-Livas, H. Sugimoto, H. Takahashi, H. Sagayama, Y. Yamasaki, T. Nomoto, R. Arita, S. Ishiwata
A new layered perovskite-type oxide Ba$_2$RhO$_4$ was synthesized by a high-pressure technique with the support of convex-hull calculations. The crystal and electronic structure were studied by both experimental and computational tools. Structural refinements for powder x-ray diffraction data showed that Ba$_2$RhO$_4$ crystallizes in a K$_2$NiF$_4$-type structure, isostructural to Sr$_2$RuO$_4$ and Ba$_2$IrO$_4$. Magnetic, resistivity, and specific heat measurements for polycrystalline samples of Ba$_2$RhO$_4$ indicate that the system can be characterized as a correlated metal. Despite the close similarity to its Sr$_2$RuO$_4$ counterpart in the electronic specific heat coefficient and the Wilson ratio, Ba$_2$RhO$_4$ shows no signature of superconductivity down to 0.16 K. Whereas the Fermi surface topology has reminiscent pieces of Sr$_2$RuO$_4$, an electron-like e$_g$-($d_{x^2-y^2}$) band descends below the Fermi level, making of this compound unique also as a metallic counterpart of the spin-orbit-coupled Mott insulator Ba$_2$IrO$_4$.
在凸壳计算的支持下,采用高压技术合成了一种新的层状钙钛矿型氧化物Ba$_2$RhO$_4$。用实验和计算方法对晶体结构和电子结构进行了研究。粉末x射线衍射数据的结构细化表明,Ba$_2$RhO$_4$结晶为K$_2$NiF$_4$型结构,与Sr$_2$RuO$_4$和Ba$_2$IrO$_4$同构。Ba$_2$RhO$_4$多晶样品的磁性、电阻率和比热测量表明,该体系可以表征为相关金属。尽管Ba$_2$RhO$_4$在电子比热系数和Wilson比上与Sr$_2$RuO$_4$非常相似,但Ba$_2$RhO$_4$在0.16 K以下没有超导特征。虽然费米表面拓扑结构具有Sr$_2$RuO$_4$,但类似电子的e$_g$-($d_{x^2-y^2}$)带下降到费米能级以下,使这种化合物也成为自旋轨道耦合的Mott绝缘体Ba$_2$IrO$_4$的独特金属对偶。
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引用次数: 1
Anomalous Kerr effect in SrRuO3 thin films SrRuO3薄膜中的反常Kerr效应
Pub Date : 2020-10-12 DOI: 10.1103/physrevb.102.140408
F. M. Bartram, Sopheak Sorn, Zhuolu Li, Kyle Hwangbo, S. Shen, F. Frontini, Liqun He, P. Yu, A. Paramekanti, Luyi Yang
We study the magneto-optical Kerr effect (MOKE) in SrRuO$_3$ thin films, uncovering wide regimes of wavelength, temperature, and magnetic field where the Kerr rotation is not simply proportional to the magnetization but instead displays two-component behavior. One component of the MOKE signal tracks the average magnetization, while the second "anomalous" component bears a resemblance to anomalies in the Hall resistivity which have been previously reported in skyrmion materials. We present a theory showing that the MOKE anomalies arise from the non-monotonic relation between the Kerr angle and the magnetization, when we average over magnetic domains which proliferate near the coercive field. Our results suggest that inhomogeneous domain formation, rather than skyrmions, may provide a common origin for the observed MOKE and Hall resistivity anomalies.
我们研究了SrRuO$_3$薄膜中的磁光克尔效应(MOKE),揭示了波长,温度和磁场的宽范围,其中克尔旋转不是简单地与磁化成正比,而是表现出双组分行为。MOKE信号的一个分量跟踪平均磁化强度,而第二个“异常”分量与先前在skyrmion材料中报道的霍尔电阻率异常相似。我们提出了一个理论,表明当我们对在矫顽力场附近扩散的磁畴进行平均时,MOKE异常是由克尔角与磁化强度之间的非单调关系引起的。我们的研究结果表明,不均匀的区域形成,而不是天空,可能是观测到的MOKE和霍尔电阻率异常的共同来源。
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引用次数: 7
Pseudo-BCS wave function from density matrix decomposition: Application in auxiliary-field quantum Monte Carlo 密度矩阵分解的伪bcs波函数:在辅助场量子蒙特卡罗中的应用
Pub Date : 2020-10-12 DOI: 10.1103/PHYSREVRESEARCH.3.013065
Zhi-Guang Xiao, Hao Shi, Shiwei Zhang
We present a method to construct pseudo-BCS wave functions from the one-body density matrix. The resulting many-body wave function, which can be produced for any fermion systems, including those with purely repulsive interactions, has the form of a number-projected BCS form, or antisymmetrized germinal power (AGP). Such wave functions provide a better ansatz for correlated fermion systems than a single Slater determinant, and often better than a linear combination of Slater determinants (for example from a truncated active space calculation). We describe a procedure to build such a wave function conveniently from a given reduced density matrix of the system, rather than from a mean-field solution (which gives a Slater determinant for repulsive interactions). The pseudo-BCS wave function thus obtained reproduces the density matrix or minimizes the difference between the input and resulting density matrices. One application of the pseudo-BCS wave function is in auxiliary-field quantum Monte Carlo (AFQMC) calculations as the trial wave function to control the sign/phase problem. AFQMC is often among the most accurate general methods for correlated fermion systems. We show that the pseudo-BCS form further reduces the constraint bias and leads to improved accuracy compared to the usual Slater determinant trial wave functions, using the two-dimensional Hubbard model as an example. Furthermore, the pseudo-BCS trial wave function allows a new systematically improvable self-consistent approach, with pseudo-BCS trial wave function iteratively generated by AFQMC via the one-body density matrix.
提出了一种由单体密度矩阵构造伪bcs波函数的方法。由此产生的多体波函数可以用于任何费米子系统,包括那些具有纯排斥相互作用的系统,具有数字投影BCS形式或反对称生发力(AGP)的形式。这样的波函数为相关费米子系统提供了比单个斯莱特行列式更好的分析,并且通常比斯莱特行列式的线性组合更好(例如从截断的活动空间计算)。我们描述了一个过程,可以方便地从系统的给定简化密度矩阵中构建这样的波函数,而不是从平均场解中(它给出了排斥相互作用的斯莱特行列式)。由此获得的伪bcs波函数再现密度矩阵或最小化输入和结果密度矩阵之间的差异。伪bcs波函数的一个应用是在辅助场量子蒙特卡罗(AFQMC)计算中作为控制符号/相位问题的试验波函数。AFQMC通常是相关费米子系统最精确的一般方法之一。我们以二维Hubbard模型为例表明,与通常的Slater行列式试波函数相比,伪bcs形式进一步减少了约束偏差,并提高了精度。此外,伪bcs试波函数允许一个新的系统改进的自洽方法,伪bcs试波函数由AFQMC通过一体密度矩阵迭代生成。
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引用次数: 3
Metallic islands in the Kondo insulator SmB6 近藤绝缘体SmB6中的金属岛
Pub Date : 2020-10-08 DOI: 10.1103/physrevresearch.2.043181
J. Souza, P. Rosa, J. Sichelschmidt, M. Carlone, P. Venegas, M. O. Malcolms, P. Menegasso, R. Urbano, Z. Fisk, P. G. P. I. D. F. Wataghin, Unicamp, M. Solids, Los Alamos National Laboratory, D. D. F'isica, F. Ciencias, Unesp, Posmat, D. Physics, Astronomy, U. California
The predicted interplay between Kondo physics and non-trivial topology in SmB$_{6}$ has stimulated many experimental reports, some of which are in apparent contradiction. The origin of the dispute may lie on the fragility of the Kondo insulating phase in the presence of Sm vacancies (Kondo holes) and/or natural impurities, such as Gd$^{3+}$. In this work, we locally investigated this fragility for Al-flux grown Sm$_{1-x}$Gd$_{x}$B$_{6}$ single crystals (0 $leq$ $x$ $leq$ 0.02) by combining electron spin resonance (ESR) and complementary bulk measurements. The Gd$^{3+}$ ESR spectra in a highly dilute regime ($x$ $sim 0.0004$) display the features of an insulating cubic environment. Remarkably, a metallic ESR lineshape is observed for more concentrated samples ($x$ $geq$ 0.004), even though these systems are still in a reasonably dilute regime and show insulating $dc$ electrical resistivity. Our data indicate that the Kondo insulating state is destroyed locally around impurities before a global percolation occurs. This result not only explains the discrepancy between $dc$ and $ac$ conductivity, but also provides a scenario to explain the presence of quantum oscillations in magnetization in the absence of quantum oscillations in electrical resistivity.
SmB $_{6}$中预测的Kondo物理和非平凡拓扑之间的相互作用刺激了许多实验报告,其中一些是明显矛盾的。争论的起因可能是在存在Sm空位(近藤孔)和/或天然杂质(如Gd $^{3+}$)时,近藤绝缘相的脆弱性。在这项工作中,我们通过结合电子自旋共振(ESR)和互补体测量,局部研究了Al-flux生长的Sm $_{1-x}$ Gd $_{x}$ B $_{6}$单晶(0 $leq$$x$$leq$ 0.02)的这种脆弱性。Gd在高稀态($x$$sim 0.0004$)下的$^{3+}$ ESR谱显示出绝缘立方环境的特征。值得注意的是,在更浓的样品($x$$geq$ 0.004)中观察到金属ESR线形状,即使这些系统仍然处于合理的稀释状态并显示绝缘$dc$电阻率。我们的数据表明,在整体渗透发生之前,在杂质周围局部破坏了近藤绝缘状态。这一结果不仅解释了$dc$和$ac$电导率之间的差异,而且还提供了一个场景来解释在没有电阻率量子振荡的情况下磁化中量子振荡的存在。
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引用次数: 6
Photoinduced strange metal with electron and hole quasiparticles 具有电子和空穴准粒子的光致奇异金属
Pub Date : 2020-10-08 DOI: 10.1103/PhysRevB.103.L201116
N. Dasari, Jiajun Li, P. Werner, M. Eckstein
Photo-doping of Mott insulators or correlated metals can create an unusual metallic state which simultaneously hosts hole-like and electron-like particles. We study the dynamics of this state up to long times, as it passes its kinetic energy to the environment. When the system cools down, it crosses over from a bad metal into a resilient quasiparticle regime, in which quasiparticle bands are formed with separate Fermi levels for electrons and holes, but quasiparticles do not yet satisfy the Fermi liquid paradigm. Subsequently, the transfer of energy to the environment slows down significantly, and the system does not reach the Fermi liquid state even on the timescale of picoseconds. The transient photo-doped strange metal exhibits unusual properties of relevance for ultrafast charge and heat transport: In particular, there can be an asymmetry in the properties of electrons and holes, and strong correlations between electrons and holes, as seen in the spectral properties.
莫特绝缘体或相关金属的光掺杂可以产生一种不寻常的金属态,同时容纳类空穴和类电子粒子。我们研究这种状态的动力学长达很长时间,因为它将动能传递给环境。当系统冷却下来时,它从坏金属过渡到有弹性的准粒子状态,在这种状态下,准粒子带形成了电子和空穴的独立费米能级,但准粒子还不满足费米液体范式。随后,能量向环境的传递明显减慢,即使在皮秒的时间尺度上,系统也没有达到费米液态。瞬态光掺杂奇异金属表现出与超快电荷和热输运相关的不同寻常的特性:特别是,电子和空穴的特性可能存在不对称性,并且电子和空穴之间存在强相关性,如光谱特性所示。
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引用次数: 2
η-paired superconducting hidden phase in photodoped Mott insulators 光掺杂Mott绝缘体中η对超导隐相
Pub Date : 2020-10-07 DOI: 10.1103/physrevb.102.165136
Jiajun Li, D. Golež, P. Werner, M. Eckstein
We show that a metastable $eta$--pairing superconducting phase can be induced by photodoping doublons and holes into a strongly repulsive fermionic Hubbard model. The doublon-hole condensate originates from an intrinsic doublon-hole exchange interaction and does not rely on the symmetry of the half-filled Hubbard model. It extends over a wide range of doublon densities and effective temperatures. Different non-equilibrium protocols to realize this state are proposed and numerically tested. We also study the optical conductivity in the superconducting phase, which exhibits ideal metallic behavior, i.e., a delta function at zero-frequency in the conductivity, in conjunction with a negative conductivity at large frequencies. These characteristic optical properties can provide a fingerprint of the $eta$-pairing phase in pump-probe experiments.
我们证明了一个亚稳的$eta$配对超导相可以通过光掺杂双子和空穴诱导成一个强排斥性费米子Hubbard模型。双布隆-空穴凝聚源自固有的双布隆-空穴交换相互作用,而不依赖于半填充哈伯德模型的对称性。它扩展到广泛的双密度和有效温度范围。提出了实现这种状态的不同非平衡协议,并进行了数值测试。我们还研究了超导相的光学电导率,它表现出理想的金属行为,即电导率在零频率时呈δ函数,同时在高频率时呈负电导率。这些光学特性可以在泵浦-探针实验中提供$eta$配对相位的指纹。
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引用次数: 23
Tuning the crystalline electric field and magnetic anisotropy along the CeCuBi2−xSbx series 沿CeCuBi2−xSbx系列调整晶体电场和磁场各向异性
Pub Date : 2020-10-07 DOI: 10.1103/physrevb.102.155129
G. S. Freitas, M. M. Piva, R. Grossi, C. Jesus, J. Souza, D. S. Christovam, N. F. Oliveira, J. Leão, C. Adriano, J. W. Lynn, P. I. O. N. Physics, University of Campinas - Brazil, M. Solids, Dresden - Germany, D. D. F'isica, Universidade Federal de Sergipe - Brazil, I. D. F'isica, Universidade de Sao Paulo - Brazil, Nist Center for Neutron Research, National Institute of Standards, Technology, Maryland Usa
We have performed X-ray powder diffraction, magnetization, electrical resistivity, heat capacity and inelastic neutron scattering (INS) to investigate the physical properties of the intermetallic series of compounds CeCuBi$_{2-x}$Sb$_{x}$. These compounds crystallize in a tetragonal structure with space group $P4/nmm$ and present antiferromagnetic transition temperatures ranging from 3.6 K to 16 K. Remarkably, the magnetization easy axis changes along the series, which is closely related to the variations of the tetragonal crystalline electric field (CEF) parameters. This evolution was analyzed using a mean field model, which included anisotropic nearest-neighbor interactions and the tetragonal CEF Hamiltonian. The CEF parameters were obtained by fitting the magnetic susceptibility data with the constraints given by the INS measurements. Finally, we discuss how this CEF evolution can affect the Kondo physics and the search for a superconducting state in this family.
采用x射线粉末衍射、磁化、电阻率、热容量和非弹性中子散射(INS)等方法研究了化合物CeCuBi$_{2-x}$Sb$_{x}$的物理性质。这些化合物结晶成具有空间基团$P4/nmm$的四方结构,并呈现出3.6 ~ 16k的反铁磁转变温度。值得注意的是,磁化易轴沿串联方向发生变化,这与四方晶电场参数的变化密切相关。利用包括各向异性近邻相互作用和四方CEF哈密顿量在内的平均场模型分析了这一演化过程。将磁化率数据与INS测量给出的约束条件拟合,得到了磁通量参数。最后,我们讨论了这种CEF的演变如何影响近藤物理和在这个家族中寻找超导态。
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引用次数: 2
Instabilities of quantum critical metals in the limit $N_frightarrow0$ 极限下量子临界金属的不稳定性
Pub Date : 2020-10-06 DOI: 10.21468/SCIPOSTPHYS.10.3.067
Petter Saterskog
We study a model in 2+1 dimensions composed of a Fermi surface of $N_f$ flavors of fermions coupled to scalar fluctuations near quantum critical points (QCPs). The $N_frightarrow0$ limit allows us to non-perturbatively calculate the long-range behavior of fermion correlation functions. We use this to calculate charge, spin and pair susceptibilities near different QCPs at zero and finite temperatures, with zero and finite order parameter gaps. While fluctuations smear out the fermionic quasiparticles, we find QCPs where the overall effect of fluctuations leads to enhanced pairing. We also find QCPs where the fluctuations induce spin and charge density wave instabilities for a finite interval of order parameter fluctuation gaps at $T=0$. We restore a subset of the diagrams suppressed in the $N_frightarrow0$ limit, all diagrams with internal fermion loops with at most 2 vertices, and find that this does not change the long-range behavior of correlators except right at the QCPs.
我们研究了一个2+1维的模型,该模型由$N_f$费米子组成的费米曲面耦合到量子临界点附近的标量涨落。$N_frightarrow0$极限允许我们非摄动地计算费米子相关函数的长程行为。我们用它来计算在零和有限温度下,具有零和有限阶参数间隙的不同量子cps附近的电荷、自旋和对磁化率。当涨落抹去费米子准粒子时,我们发现涨落的总体效应导致了增强的配对。我们还发现,在T=0时,在有限区间的序参量涨落间隙内,涨落诱导自旋和电荷密度波不稳定。我们恢复了在$N_frightarrow0$限制中被抑制的图的一个子集,所有具有最多2个顶点的内部费米子环的图,并发现这不会改变相关器的远程行为,除了在qcp处。
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引用次数: 0
Electronic correlations in the van der Waals ferromagnet Fe3GeTe2 revealed by its charge dynamics 范德华铁磁体Fe3GeTe2电荷动力学揭示的电子相关性
Pub Date : 2020-10-06 DOI: 10.1103/physrevb.102.161109
M. Corasaniti, Run Yang, K. Sen, K. Willa, M. Merz, A. Haghighirad, M. L. Tacon, L. Degiorgi
The layered van der Waals ferromagnetic Fe$_3$GeTe$_2$ harbours an unconventional interplay between topology and magnetism, leading to a large anomalous Hall conductivity at low temperatures. Here, we investigate the temperature dependence of its charge dynamics and reveal that upon entering the ferromagnetic state at $T_C sim 200$ K and further lowering the temperature there is the onset of a gradual spectral weight reshuffling from the mid-infrared range towards far- as well as near-infrared frequencies. This two-fold spectral weight transfer indicates the important role of the Hund's coupling as primary source for electronic correlations and signals an incoherent-coherent crossover at low temperatures. Our findings also convey the electronic environment, based on nodal-line topological states, favouring the large anomalous Hall conductivity.
层状范德华铁磁Fe$_3$GeTe$_2$在拓扑和磁性之间具有非常规的相互作用,导致在低温下具有较大的异常霍尔电导率。在这里,我们研究了其电荷动力学的温度依赖性,并发现在$T_C sim 200$ K下进入铁磁状态并进一步降低温度后,光谱权重从中红外范围逐渐向远红外和近红外频率重组。这种两倍谱权转移表明了洪德耦合作为电子相关和低温下非相干相干交叉信号的主要来源的重要作用。我们的发现也传达了电子环境,基于节点线拓扑状态,有利于大的异常霍尔电导率。
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引用次数: 6
期刊
arXiv: Strongly Correlated Electrons
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