In quantum materials, the electronic interaction and the electron-phonon coupling are, in general, two essential ingredients, the combined impact of which may drive exotic phases. Recently, an anomalously strong electron-electron attraction, mediated by phonons, has been unveiled in one-dimensional copper-oxide chain Ba$_{2-x}$Sr$_x$CuO$_{3+δ}$. Yet, it is unclear how this strong near-neighbor attraction $V$ influences the superconductivity pairing in the compound. Here we perform accurate many-body calculations to study the extended Hubbard model with on-site Coulomb repulsion $U>0$ and attraction $V<0$ that well describes the cuprate chain and likely other similar transition-metal materials with both strong correlations and lattice effects. We find a rich quantum phase diagram containing an intriguing Tomonaga-Luttinger liquid phase -- besides the spin density wave and various phase separation phases -- that can host dominant spin-triplet pairing correlations and divergent superconductive susceptibility. Upon doping, the spin-triplet superconducting regime can be further broadened in the parameter space and extends to larger $U$, offering a feasible mechanism to realize $p$-wave superconductivity in realistic cuprate chains.
In the cuprates, one-dimensional chain compounds provide a unique opportunity to understand the microscopic physics due to the availability of reliable theories. However, progress has been limited by the inability to controllably dope these materials. Here, we report the synthesis and spectroscopic analysis of the one-dimensional cuprate Ba$_{2-x}$Sr$_x$CuO$_{3+δ}$ over a wide range of hole doping. Our angle-resolved photoemission experiments reveal the doping evolution of the holon and spinon branches. We identify a prominent folding branch whose intensity fails to match predictions of the si…
Starting with a minimal model for the CuO$_2$ planes with the on-site Hilbert space reduced to a charge triplet of the three effective valence centers [CuO$_4$]$^{7-,6-,5-}$ (nominally Cu$^{1+,2+,3+}$) with different conventional spin, different orbital symmetry, and different local lattice configuration, we develop a unified non-BCS spin-pseudospin model to describe the main phase states of doped cuprates. We argue that antiferromagnetic insulating, charge ordered, superconducting, and Fermi-liquid phases are possible phase states of a model parent cuprate, while typical phase state of a dope…
Microscopic mechanism of high-temperature superconductivity revealed by ab initio studies on hole-doped multilayer cuprates HgBa$_2$Ca$_2$Cu$_3$O$_8$ under pressure
Sophia University（上智大学）；The University of Tokyo（东京大学）
We investigate in underdoped cuprates possible coexistence of the superconducting (SC) order at zero momentum and pair density wave (PDW) at momentum ${\bf Q}=(π, π)$ in the presence of a Neel order. By symmetry, the $d$-wave uniform singlet pairing $dS_0$ can coexist with the $d$-wave triplet PDW $dT_{\bf Q}$, and the $p$-wave singlet PDW $pS_{\bf Q}$ can coexist with the $p$-wave uniform triplet $pT_0$. At half filling, we find the novel $pS_{\bf Q}+pT_0$ state is energetically more favorable than the $dS_0+dT_{\bf Q}$ state. At finite doping, however, the $dS_0+dT_{\bf Q}$ state is more fav…
Recently, the experimental results by the angle-resolved photoemission spectroscopy suggested that an additional strong nearest neighbor attraction in the Hubbard model might be significant to describe the properties of doped cuprates more accurately. The stripe-ordered patterns, formed by the inhomogeneous distribution of spin, charge and pairing correlations in the CuO$_{2}$ planes, is a known feature of doped cuprates. In this work, the effect of the nearest neighbor attraction and the stripe phase are examined by using the constrained path quantum Monte Carlo method within the repulsive Hu…
Superconductivity found in doped NdNiO$_2$ is puzzling as two local symmetries of doped NiO$_2$ layers compete, with presumably far-reaching implications for the involved mechanism: a cuprate-like regime with Zhang-Rice singlets {\cblue is replaced by local triplet states at realistic values of charge-transfer energy, which would suggest a rather different superconductivity scenario from high-$T_c$ cuprates}. We address this competition by investigating Ni$_4$O$_8$ clusters with periodic boundary conditions in the parameter range relevant for the superconducting nickelates. With increasing val…
We predict two topological superconducting phases in microscopic models arising from the Berry phase associated with the valley degree of freedom in gapped Dirac honeycomb systems. The first one is a topological helical spin-triplet superconductor with a nonzero center-of-mass momentum that does not break time-reversal symmetry. We also find a topological chiral-triplet superconductor with Chern number $\pm 1$ with equal-spin-pairing in one valley and opposite-spin-triplet pairing in the other valley. Our results are obtained for the Kane-Mele model in which we have explored the effect of thre…
A theory is developed to describe the singlet dark state (usually labeled S1 or 2Ag) of polyenes and carotenoids. The theory assumes that in principle this state is a linear combination of a singlet triplet-pair and an odd-parity charge-transfer exciton. Crucially, these components only couple when the triplet-pair occupies neighboring dimers, such that an electron transfer between the triplets creates a nearest-neighbor charge-transfer excitation. This local coupling stabilises the 2Ag state and induces a nearest neighbor attraction between the triplets. In addition, because of the electron-h…
Screening of long-range Coulomb interactions in the quasi two-dimensional extended Hubbard model: A combined quantum Monte Carlo and Feynman diagram study
We present a theory for the lightly doped t-J model which is of possible relevance for the normal state of underdoped cuprates. Starting from an arbitrary dimer covering of the plane an exact representation of the t-J Hamiltonian in terms of bond bosons and fermions can be derived. Since all dimer coverings must give identical results for observable quantities we construct an approximate but translationally invariant Hamiltonian by averaging the bond particle Hamiltonian over all possible dimer coverings. Treating the resulting Hamiltonian in mean-field approximation we find fermi pockets cent…
We investigate the possibility of spin texture in the bilayer cuprate superconductor $\rm Bi_2Sr_2CaCu_2O_{8+δ}$ using cluster dynamical mean field theory (CDMFT). The one-band Hubbard model with a small interlayer hopping and a Rashba spin-orbit coupling is used to describe the material. The $d$-wave order parameter is not much affected by the presence of the Rashba coupling, but a small triplet component appears. We find a spin texture circulating in the same direction around $\mathbf{k}=(0,0)$ and $\mathbf{k}=(π,π)$ and stable against the superconducting phase. The amplitude of the spin str…
Studies on the interplay between the charge order and the $d$-wave superconductivity in the copper-oxide high $T_{\rm c}$ superconductors are reviewed with a special emphasis on the exploration based on the unconventional concept of the electron fractionalization and its consequences supported by solutions of high-accuracy quantum many-body solvers. Severe competitions between the superconducting states and the charge inhomogeneity including the charge/spin striped states revealed by the quantum many-body solvers are first addressed for the Hubbard models and then for the {\it ab initio} Hamil…
Interplay of Rashba spin-orbit coupling and Coulomb interaction in topological spin-triplet excitonic condensates
Natural faculty of Science, Langson college of education（朗山师范学院自然科学系）；Department of Theoretical Physics, VNUHCM-University of Science（越南国立大学胡志明市理工大学理论物理系）；Institute of Research and Development, Duy Tan University（戴南大学研发院）；Faculty of Natural Sciences, Duy Tan University（戴南大学自然科学学院）
The leading superconducting instabilities of the two-dimensional extended repulsive one-band Hubbard model within spin-fluctuation pairing theory depend sensitively on electron density, band and interaction parameters. We map out the phase diagrams within a random phase approximation (RPA) spin- and charge-fluctuation approach, and find that while $B_{1g}$ ($d_{x^2-y^2}$) and $B_{2g}$ ($d_{xy}$) pairing dominates in the absence of repulsive longer-range Coulomb interactions $V_{\rm NN}$, the latter induces pairing in other symmetry channels, including e.g $A_{2g}$ ($g$-wave), nodal $A_{1g}$ (e…
Unravelling local spin polarization of Zhang-Rice singlet in lightly hole-doped cuprates using high-energy optical conductivity
为了理解关联电子系统中丰富的物理性质，揭示载流子附近的局部磁和电子关联是至关重要的。在这里，使用高能量的光学电导率（高达35 eV）作为温度和极化的函数，我们观察到一个令人惊讶的强自旋极化的本地自旋单线态与增强的铁磁相关性附近的掺杂空穴在轻空穴掺杂的La $_{1.95}$ Sr $_{0.05}$ Cu $_{0.95}$ Zn $_{0.05}$ O $_{4}$。局域自旋极化的变化强烈地表现在温度依赖的光学电导率在~7.2 eV，在磁条相（~25 K）的异常，伴随着异常的光谱重量转移在一个广泛的能量范围。在理论计算的支持下，我们还指定了高能光学跃迁及其相应的温度依赖性，特别是在~2.5 ~8.7，~9.7，~11.3和~21.8 eV。我们的研究结果显示了空穴掺杂铜氧化物中自旋单重态和三重态的强混合的重要性，并展示了一种新的策略，以探测局部磁关联在相关电子系统中使用高能光学电导率。
We report results of large scale ground state density matrix renormalization group(DMRG) calculations on $t$-$t'$-$J$ cylinders with circumferences 6 and 8. We determine a rough phase diagram which appears to approximate the 2D system. While for many properties, positive and negative $t'$ values ($t'/t = \pm 0.2$) appear to correspond to electron and hole doped cuprate systems, respectively, the behavior of superconductivity itself shows an inconsistency between the model and the materials. The $t'<0$ (hole doped) region shows antiferromagnetism limited to very low doping, stripes more general…
