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Electronic and magnetic properties of iridium ilmenites $A$IrO$_3$ ($A=$ Mg, Zn, and Mn). 铱钛矿$A$IrO$_3$ ($A=$ Mg, Zn和Mn)的电子和磁性能。
Pub Date : 2021-06-26 DOI: 10.1103/PhysRevMaterials.5.104409
Seong-Hoon Jang, Y. Motome
We theoretically investigate the electronic band structures and magnetic properties of ilmenites with edge-sharing IrO$_6$ honeycomb layers, $A$IrO$_3$ with $A=$ Mg, Zn, and Mn, in comparison with a collinear antiferromagnet MnTiO$_3$. The compounds with $A=$ Mg and Zn were recently reported in Y.~Haraguchi {it et al.}, Phys. Rev. Materials {bf 2}, 054411 (2018), while MnIrO$_3$ has not been synthesized yet but the honeycomb stacking structure was elaborated in a superlattice with MnTiO$_3$ in K.~Miura {it et al.}, Commun. Mater. {bf 1}, 55 (2020). We find that, in contrast to MnTiO$_3$, where an energy gap opens in the Ti $3d$ bands by antiferromagnetic ordering of the high-spin $S=5/2$ moments, MgIrO$_3$ and ZnIrO$_3$ have a gap in the Ir $5d$ bands under the influence of both spin-orbit coupling and electron correlation. Their electronic structures are similar to those in the spin-orbit coupled Mott insulators with the $j_{rm eff}=1/2$ pseudospin degree of freedom, as found in monoclinic $A_2$IrO$_3$ with $A=$ Na and Li which have been studied as candidates for the Kitaev spin liquid. Indeed, we find that the effective exchange interactions between the $j_{rm eff}=1/2$ pseudospins are dominated by the Kitaev-type bond-dependent interaction and the symmetric off-diagonal interactions. On the other hand, for MnIrO$_3$, we show that the local lattice structure is largely deformed, and both Mn $3d$ and Ir $5d$ bands appear near the Fermi level in a complicated manner, which makes the electronic and magnetic properties qualitatively different from MgIrO$_3$ and ZnIrO$_3$. Our results indicate that the IrO$_6$ honeycomb network in the ilmenites $A$IrO$_3$ with $A=$ Mg and Zn would offer a good platform for exotic magnetism by the spin-orbital entangled moments like the Kitaev spin liquid.
我们从理论上研究了共线反铁磁体MnTiO$_3$与共线反铁磁体MnTiO$_3$的电子能带结构和磁性能,并比较了具有共边共享IrO$_6$蜂窝层和$A=$ Mg, Zn和Mn的$A$IrO$_3$。含有$A=$ Mg和$ Zn的化合物最近在Y.~Haraguchi {it et al.}, Phys。Rev. Materials {bf 2}, 054411(2018),而MnTiO$_3$尚未合成,但在K.~Miura {it et al.}, comm中阐述了MnTiO$_3$在超晶格中的蜂窝堆积结构。板牙。{bf 1}, 55(2020)。我们发现,与MnTiO$_3$相比,在高自旋$S=5/2$矩的反铁磁排序中,Ti $3d$带出现了能隙,而MgIrO$_3$和ZnIrO$_3$在自旋-轨道耦合和电子相关的影响下,在Ir $5d$带出现了能隙。它们的电子结构类似于自旋-轨道耦合Mott绝缘体中具有$j_{rm eff}=1/2$伪自旋自由度的电子结构,如单斜斜的$A_2$IrO$_3$和$A=$ Na和Li所发现的,它们已被研究为基塔耶夫自旋液体的候选体。事实上,我们发现$j_{rm eff}=1/2$假自旋之间的有效交换相互作用主要是kitaev型键依赖相互作用和对称非对角相互作用。另一方面,对于MnIrO$_3$,我们发现局部晶格结构发生了很大的变形,Mn $3d$和Ir $5d$都以复杂的方式出现在费米能级附近,这使得其电子和磁性能与MgIrO$_3$和ZnIrO$_3$有质的不同。我们的研究结果表明,在$A=$ Mg和$ Zn的钛矿$A$IrO$_3$中的IrO$_6$蜂窝状网络可以像基塔耶夫自旋液体一样,通过自旋-轨道纠缠矩为奇异磁性提供一个很好的平台。
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引用次数: 5
Landau-Fermi liquids in disguise 伪装的朗多-费米液体
Pub Date : 2021-05-26 DOI: 10.21203/RS.3.RS-569113/V1
M. Fabrizio
In periodic systems of interacting electrons, Fermi and Luttinger surfaces refer to the locations within the Brillouin zone of poles and zeros, respectively, of the single-particle Green's function at zero energy and temperature. Such difference in analytic properties underlies the emergence of well-defined quasiparticles close to a Fermi surface, in contrast to their supposed non-existence close to a Luttinger surface, where the single-particle density-of-states vanishes at zero energy. We here show that, contrary to such common belief, coherent `quasiparticles` do exist also approaching a Luttinger surface in compressible interacting electron systems. Thermodynamic and dynamic properties of such `quasiparticles` are just those of conventional ones. For instance, they yield well defined quantum oscillations in Luttinger's surface and linear in temperature specific heat, which is striking given the vanishing density of states of physical electrons, but actually not uncommon in strongly correlated materials.
在相互作用电子的周期系统中,费米曲面和卢廷格曲面分别是指零能量和零温度下单粒子格林函数在布里渊区内的极点和零点位置。解析性质上的这种差异是在费米表面附近出现定义良好的准粒子的基础,而在卢廷格表面附近则假定不存在准粒子,在卢廷格表面,单粒子的态密度在零能量下消失。我们在这里表明,与这种普遍看法相反,在可压缩相互作用的电子系统中,相干的“准粒子”也确实存在于接近卢廷格表面的地方。这种“准粒子”的热力学和动力学性质和传统粒子一样。例如,它们在卢廷格表面产生了定义良好的量子振荡,在温度比热中产生了线性振荡,考虑到物理电子状态密度的消失,这是惊人的,但实际上在强相关材料中并不罕见。
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引用次数: 0
Diffusion in the Anderson model in higher dimensions 高维的安德森模型中的扩散
Pub Date : 2021-04-15 DOI: 10.1103/PhysRevB.103.L241107
P. Prelovšek, J. Herbrych
We present an extended microcanonical Lanczos method (MCLM) for a direct evaluation of the diffusion constant and its frequency dependence within the disordered Anderson model of noninteracting particles. The method allows to study systems beyond $10^6$ sites and we present results for diffusion in hypercubic lattices in $ d = 3- 7$ dimensions. Below the transition to localization, where we confirm dynamical scaling behaviour, of interest is a wide region of incoherent diffusion, similar to percolating phenomena and to interacting many-body localized systems.
我们提出了一种扩展的微规范Lanczos方法(MCLM),用于直接评估非相互作用粒子的无序安德森模型中的扩散常数及其频率依赖性。该方法允许研究超过$10^6$位的系统,我们给出了在$ d = 3- $ 7$维的超立方晶格中的扩散结果。在向局部化过渡的下面,我们确认了动态标度行为,我们感兴趣的是一个广泛的非相干扩散区域,类似于渗透现象和相互作用的多体局部化系统。
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引用次数: 5
Discovery of an ultra-quantum spin liquid 超量子自旋液体的发现
Pub Date : 2021-04-02 DOI: 10.21203/RS.3.RS-351743/V1
Yanxing Yang, Cheng Tan, Zihao Zhu, Jing Zhang, Z. Ding, Qiong Wu, Changshen Chen, T. Shiroka, Douglas MacLaughline, C. Varma, L. Shu
Quantum fluctuations are expected to lead to highly entangled spin-liquid states in some two-dimensional spin-1/2 compounds. We have synthesized and measured thermodynamic properties and muon relaxation rates in two related such compounds, one of which is the least disordered of this kind synthesized hitherto and reveals intrinsic properties of a class of spin-liquids. Its measured properties can all be simply characterized by scale invariant time-dependent fluctuations with a single parameter. The specific heat divided by temperature and muon relaxation rates are both temperature independent at low temperatures, followed by a logarithmic decrease with increasing temperature. Even more remarkably, ∼57% of the magnetic entropy is missing down to temperatures of O(10−3) the exchange energy, independent of magnetic field up to gµBH > kBT . This is evidence that quantum fluctuations lead either to a gigantic specific heat peak from topological singlet excitations below such temperatures, or to an extensively degenerate topological singlet ground state. These results reveal an ultra-quantum state of matter.
量子涨落有望在一些二维自旋1/2化合物中导致高度纠缠的自旋-液态。我们合成并测量了两种相关化合物的热力学性质和介子弛豫率,其中一种是迄今为止合成的这类化合物中无序程度最低的,并揭示了一类自旋液体的内在性质。它的测量性质都可以用单一参数的尺度不变时变波动来简单表征。在低温下,比热除以温度和介子弛豫速率都与温度无关,然后随着温度的升高呈对数递减。更值得注意的是,~ 57%的磁熵在0(10−3)交换能的温度下丢失,与高达gµBH > kBT的磁场无关。这证明量子涨落要么导致在此温度以下的拓扑单线态激发产生巨大的比热峰,要么导致广泛简并的拓扑单线态基态。这些结果揭示了物质的超量子态。
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引用次数: 1
Topological excitations in quasi two-dimensional quantum magnets with weak interlayer interactions 具有弱层间相互作用的准二维量子磁体的拓扑激发
Pub Date : 2021-02-28 DOI: 10.32657/10356/146503
D. Bhowmick
The study of topological magnetic excitations has attracted widespread attention in the past few years. In this thesis, I have studied some examples of novel topological magnonic phases/phenomena in low-dimensional quantum magnets. The first chapter motivates the research based on the research gap in this field of study. The second chapter is written to make the thesis self-sufficient and the concepts are explained through examples. In the second chapter, the following formalisms and physical observables are described: Holstein-Primakoff, bond operator, Schwinger boson, Bogoliubov-Valatin, Group theory, Berry-phase, Berry-curvature, Chern number, thermal Hall conductance, Nernst conductivity, dynamical spin structure factor, edge-current. The main results of the thesis are shown in the third, fourth, and fifth chapters. In the third chapter, I have shown that anti-chiral edge states (co-propagating edge states) arise in the ferromagnetic Heisenberg model on the honeycomb lattice with Dzyaloshinskii-Moriya (DM) interactions. My results suggest that such anti-chiral edge states may be induced in certain realistic models of quantum magnets. In the fourth chapter, I have found the emergence of many magnon band-topological phases in the flux state of the Shastry-Sutherland model. I have derived a simple analytical form of the temperature dependence of derivative of thermal Hall conductivity near the band topological transition point which I propose to be experimentally useful. In the fifth chapter, I have investigated the emergence of Weyl triplons due to inter-layer DM-interaction in a microscopic model of SrCu2(BO3)2, a widely studied frustrated quantum magnet. I have shown that the thermal magnon Hall conductivity has a quasi-linear dependence as a function of the magnetic field in a Weyl-triplon region.
近年来,拓扑磁激励的研究引起了广泛的关注。在这篇论文中,我研究了一些低维量子磁体中新颖的拓扑磁振相/现象的例子。第一章根据该研究领域的研究空白,提出了研究的动机。第二章的写作是为了使论文自给自足,并通过例子来解释概念。在第二章中,描述了以下形式和物理观测:Holstein-Primakoff,键算符,Schwinger玻色子,Bogoliubov-Valatin,群论,berry相,berry曲率,陈恩数,热霍尔电导,能司特电导,动态自旋结构因子,边电流。第三章、第四章和第五章是本文的主要研究成果。在第三章中,我展示了蜂窝晶格上具有Dzyaloshinskii-Moriya (DM)相互作用的铁磁海森堡模型中出现的反手性边缘态(共传播边缘态)。我的结果表明,这种反手性边缘态可能在某些现实的量子磁体模型中被诱导。在第四章中,我发现在Shastry-Sutherland模型的通量状态中出现了许多磁振子带拓扑相。我已经导出了一个简单的解析形式的热霍尔电导率的导数的温度依赖的带拓扑过渡点附近,我认为是实验上有用的。在第五章中,我研究了SrCu2(BO3)2的微观模型中由于层间dm相互作用而出现的Weyl三子,SrCu2(BO3)2是一种被广泛研究的受挫量子磁体。我已经证明,热磁振子霍尔电导率具有准线性的依赖关系,作为一个函数的磁场在一个Weyl-triplon区域。
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引用次数: 0
Abelian parton state for the ν=4/11 fractional quantum Hall effect ν=4/11分数量子霍尔效应的阿贝尔部分态
Pub Date : 2021-02-08 DOI: 10.1103/PHYSREVB.103.155103
Ajit C. Balram
We consider the fractional quantum Hall effect at the filling factor $nu=4/11$, where two independent experiments have observed a well-developed and quantized Hall plateau. We examine the Abelian state described by the "$4bar{2}1^{3}$" parton wave function and numerically demonstrate it to be a plausible candidate for the ground state at $nu=4/11$. We work out the low-energy effective theory of the $4bar{2}1^{3}$ edge and make predictions for experimentally measurable properties of the state.
我们考虑在填充因子$nu=4/11$处的分数量子霍尔效应,其中两个独立的实验已经观察到一个发育良好的量子化霍尔平台。我们研究了由“$4bar{2}1^{3}$”部分子波函数描述的阿贝尔状态,并在数值上证明了它是$nu=4/11$基态的合理候选。我们建立了$4bar{2}1^{3}$边缘的低能量有效理论,并对该状态的实验可测量性质进行了预测。
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引用次数: 5
Doping-dependent character and possible magnetic ordering of NdNiO2 NdNiO2掺杂依赖性及可能的磁有序性
Pub Date : 2020-12-17 DOI: 10.1103/PHYSREVMATERIALS.5.044803
F. Lechermann
The novel nickelate superconductors of infinite-layer type feature challenging electronic pecularities in the normal-state phase diagram with doping. Distinct many-body behavior and different dispersion regimes of the entangled ${$Ni-$d_{z^2}$, Ni-$d_{x^2-y^2}$$}$ orbital sector give rise to highly rich physics, which is here studied for the case of the NdNiO$_2$ system. An analysis based on advanced realistic dynamical mean-field theory unveils that the superconducting hole-doped region is the meeting place of a (self-)doped Mott insulator from the underdoped side, and a bad Hund metal from the overdoped side. Fermi-level crossing of the Ni-$d_{z^2}$ flat-band ties both regimes together to form a singular arena for unconventional superconductivity. We furthermore shed light on the intriguing problem of elusive magnetism in infinite-layer nickelates. Antiferromagnetic (AFM) order with small Ni moments is shown to be a vital competitor at low temperature. At stoichiometry, C-AFM order with ferro-alignment along the $c$-axis benefits from a conceivable coexistence with Kondo(-lattice) screening, whereas N{e}el-type G-AFM order has to be faced for dopings where superconductivity prevails.
新型的无限层型镍酸盐超导体在掺杂的正常相图中具有挑战性的电子特性。Ni-$d_{z^2}$、Ni-$d_{x^2-y^2}$$}$轨道段的不同多体行为和不同色散机制导致了高富物理,本文以NdNiO$_2$系统为例进行了研究。基于先进的现实动力学平均场理论的分析表明,超导空穴掺杂区是欠掺杂侧自掺杂莫特绝缘子和过掺杂侧坏亨德金属的会聚点。Ni-$d_{z^2}$平面带的费米能级交叉将两种机制结合在一起,形成了非常规超导的单一场所。我们进一步阐明了无限层镍酸盐中难以捉摸的磁性的有趣问题。具有小Ni矩的反铁磁(AFM)序在低温下是一个重要的竞争者。在化学计量学上,沿c轴排列的c - afm顺序受益于与Kondo(-晶格)筛选的共存,而在超导盛行的掺杂中,N{e}el型G-AFM顺序必须面对。
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引用次数: 26
Magnetic Compton profiles of Ni beyond the one-particle picture: Numerically exact and perturbative solvers of dynamical mean-field theory 超越单粒子图像的Ni磁康普顿剖面:动态平均场理论的数值精确和微扰解算
Pub Date : 2020-12-16 DOI: 10.1103/PhysRevB.103.115144
A. James, M. Sekania, S. Dugdale, L. Chioncel
We calculated the magnetic Compton profiles (MCPs) of Ni using density functional theory supplemented by electronic correlations treated within dynamical mean-field theory (DMFT). We present comparisons between the theoretical and experimental MCPs. The theoretical MCPs were calculated using the KKR method with the perturbative spin-polarized T-matrix fluctuation exchange approximation DMFT solver, as well as with the full potential linear augmented planewave method with the numerically exact continuous-time quantum Monte Carlo DMFT solver. We show that the total magnetic moment decreases with the intra-atomic Coulomb repulsion $U$, which is also reflected in the corresponding MCPs. The total magnetic moment obtained in experimental measurements can be reproduced by intermediate values of $U$. The spectral function reveals that the minority X$_2$ Fermi surface pocket shrinks and gets shallower with respect to the density functional theory calculations.
我们利用密度泛函理论,辅以动态平均场理论(DMFT)处理的电子相关,计算了Ni的磁性康普顿剖面(MCPs)。我们提出了理论和实验mcp之间的比较。理论mcp分别用KKR法和全势线性增广平面波法计算,前者采用微扰自旋极化t矩阵波动交换近似DMFT求解器,后者采用数值精确的连续时间量子蒙特卡罗DMFT求解器。我们发现总磁矩随着原子内库仑斥力的减小而减小,这也反映在相应的mcp中。在实验测量中得到的总磁矩可以用中间值$U$再现。谱函数表明,相对于密度泛函理论计算,少数X$_2$费米表面袋收缩并变浅。
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引用次数: 5
Thermodynamically stable skyrmion lattice in a tetragonal frustrated antiferromagnet with dipolar interaction 具有偶极相互作用的四方受挫反铁磁体中热力学稳定的斯基子晶格
Pub Date : 2020-12-15 DOI: 10.1103/PHYSREVB.103.064414
O. Utesov
Motivated by recent experimental results on GdRu$_2$Si$_2$ [Khanh, N.D., Nakajima, T., Yu, X. et al., emph{Nat. Nanotechnol.} textbf{15}, 444-449 (2020)], where nanometric square skyrmion lattice was observed, we propose simple analytical mean-field description of the high-temperature part of the phase diagram of centrosymmetric tetragonal frustrated antiferromagnets with dipolar interaction in the external magnetic field. In the reciprocal space dipolar forces provide momentum dependent biaxial anisotropy. It is shown that in tetragonal lattice in the large part of the Brillouin zone for mutually perpendicular modulation vectors in the $ab$ plane this anisotropy has mutually perpendicular easy axes and collinear middle axes, what leads to double-Q modulated spin structure stabilization. The latter turns out to be a square skyrmion lattice in the large part of its stability region with the topological charge $pm 1$ per magnetic unit cell, which is determined by the frustrated exchange coupling, and, thus, nanometer-sized. In the presence of additional single-ion easy-axis anisotropy, easy and middle axes can be swapped, which leads to different phase diagram. It is argued that the latter case is relevant to GdRu$_2$Si$_2$.
受最近在GdRu $_2$ Si $_2$上的实验结果的启发[Khanh, N.D, Nakajima, T., Yu, X. et alemph{., Nat}textbf{. nanotechnology . 15}, 444-449(2020)],其中观察到纳米方形skyrmion晶格,我们提出了对偶极相互作用的中心对称四边形反铁磁体相图高温部分的简单解析平均场描述。在互反空间中,偶极力提供动量依赖的双轴各向异性。结果表明,对于$ab$平面上相互垂直的调制矢量,在布里温区大部分的四方晶格中,各向异性具有相互垂直的易轴和共线的中轴,从而导致双q调制自旋结构的稳定。后者在其稳定区域的大部分是正方形的skyrmion晶格,每个磁单元胞的拓扑电荷为$pm 1$,这是由受挫的交换耦合决定的,因此是纳米级的。在单离子易轴各向异性存在的情况下,易轴和中轴可以互换,从而得到不同的相图。本文认为后一种情况与gdp相关$_2$ Si $_2$。
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引用次数: 15
Modeling multiorbital effects in Sr2IrO4 under strain and a Zeeman field Sr2IrO4在应变和塞曼场下的多轨道效应模拟
Pub Date : 2020-12-15 DOI: 10.1103/physrevb.103.155147
L. Engström, T. Pereg-Barnea, W. Witczak-Krempa
We present a comprehensive study of a three-orbital lattice model suitable for the layered iridate Sr2IrO4. Our analysis includes various on-site interactions (including Hubbard and Hund's) as well as compressive strain, and a Zeeman magnetic field. We use a self-consistent mean field approach with multiple order parameters to characterize the resulting phases. While in some parameter regimes the compound is well described by an effective J=1/2 model, in other regimes the full multiorbital description is needed. As a function of the compressive strain, we uncover two quantum phase transitions: first a continuous metal-insulator transition, and subsequently a first order magnetic melting of the antiferromagnetic order. Crucially, bands of both J=1/2 and J=3/2 nature play important roles in these transitions. Our results qualitatively agree with experiments of Sr2IrO4 under strain induced by a substrate, and motivate the study of higher strains.
我们提出了适用于层状铱酸盐Sr2IrO4的三轨道晶格模型的综合研究。我们的分析包括各种现场相互作用(包括哈伯德和洪德的),以及压缩应变和塞曼磁场。我们使用具有多阶参数的自洽平均场方法来表征所得相位。在某些参数区,化合物可以用有效的J=1/2模型很好地描述,而在其他参数区,则需要完整的多轨道描述。作为压缩应变的函数,我们发现了两个量子相变:第一个是连续的金属-绝缘体转变,随后是反铁磁阶的一阶磁熔化。至关重要的是,J=1/2和J=3/2性质的带在这些转变中起着重要作用。我们的研究结果与Sr2IrO4在底物诱导应变下的实验结果定性一致,并激发了对更高应变的研究。
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引用次数: 4
期刊
arXiv: Strongly Correlated Electrons
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