Fermiology, the shape and size of the Fermi surface, underpins the low-temperature physical properties of a metal. Recent investigations of the Fermi surface of high-Tc superconductors, however, show a most unusual behavior: upon addition of carriers, ``Fermi'' pockets appear around nodal (hole doping) and antinodal (electron doping) regions of the Brillouin zone in the ``pseudogap'' state. With progressive doping, p, these evolve into well-defined Fermi surfaces around optimal doping (p_opt), with no pseudogap. Correspondingly, various physical responses, including d-wave superconductivity, evolve from highly anomalous, up to p_opt, to more conventional beyond. Describing this evolution holds the key to understanding high-temperature superconductivity. Here, we present ab initio quantum chemical results for cuprates, providing a quantitative description of the evolution of the Fermi surface with doping. Our results constitute an ab initio justification for several, hitherto proposed semiphenomenological theories, offering an unified basis for understanding of various, unusual physical responses of doped cuprates.
A rich variety of nematic/smectic orders in Fe-based superconductors is an important unsolved problem in strongly correlated electron systems. A unified understanding of these orders has been investigated for the last decade. In this article, we explain the $B_{1g}$ symmetry nematic transition in FeSe$_{1-x}$Te$_x$, the $B_{2g}$ symmetry nematicity in AFe$_2$As$_2$ (A=Cs, Rb), and the smectic state in BaFe$_2$As$_2$ based on the same framework. We investigate the quantum interference mechanism between spin fluctuations by developing the density wave equation. The observed rich variety of nemat…
We performed angle-resolved photoemission spectroscopy with micro-focused beam on a topological line-nodal compound CaSb2 which undergoes a superconducting transition at the onset Tc~1.8 K, to clarify the Fermi-surface topology relevant to the occurrence of superconductivity. We found that a three-dimensional hole pocket at the G point is commonly seen for two types of single-crystalline samples fabricated by different growth conditions. On the other hand, the carrier-doping level estimated from the position of the chemical potential was found to be sensitive to the sample fabrication conditio…
The phenomenological Green's function developed in the works of Yang, Rice and Zhang has been very successful in understanding many of the anomalous superconducting properties of the deeply underdoped cuprates. It is based on considerations of the resonating valence bond spin liquid approximation and is designed to describe the underdoped regime of the cuprates. Here we emphasize the region of doping, $x$, just below the quantum critical point at which the pseudogap develops. In addition to Luttinger hole pockets centered around the nodal direction, there are electron pockets near the antinode…
The three-dimensional Fermi surface morphology of superconducting BaFe_2(As_0.37}P_0.63)_2 with T_c=9K, is determined using the de Haas-van Alphen effect (dHvA). The inner electron pocket has a similar area and k_z interplane warping to the observed hole pocket, revealing that the Fermi surfaces are geometrically well nested in the (π,π) direction. These results are in stark contrast to the Fermiology of the non-superconducting phosphides (x=1), and therefore suggests an important role for nesting in pnictide superconductivity.
The sodium cobaltate system Na$_{x}$CoO$_2$ is a prominent representant of strongly correlated materials with promising thermoelectric response. In a combined theoretical and experimental study we show that by doping the Co site of the compound at $x$=0.7 with iron, a further increase of the Seebeck coefficient is achieved. The Fe defects give rise to effective hole doping in the high-thermopower region of larger sodium content $x$. Originally filled hole pockets in the angular-resolved spectral function of the Fe-free material shift to low energy when introducing Fe, leading to a multi-sheet …
We analyze a model of two-leg Hubbard ladders weakly coupled by interladder tunneling. At half filling a semimetallic state with small Fermi pockets is induced beyond a threshold tunneling strength. The sign changes in the single electron Green's function relevant for the Luttinger Sum Rule now take place at surfaces with both zeroes and infinities with important consequences for the interpretation of ARPES experiments. Residual interactions between electron and hole-like quasi-particles cause a transition to long range order at low temperatures. The theory can be extended to small doping lead…
Correlation-Driven Orbital-Selective Fermiology and Superconductivity in the Bilayer Nickelate La$_3$Ni$_2$O$_7$
National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University（南京大学固体微结构物理国家重点实验室和物理学院）；Collaborative Innovation Center of Advanced Microstructures, Nanjing University（南京大学先进微结构协同创新中心）；Jiangsu Key Laboratory of Quantum Information Science and Technology, Nanjing University（南京大学江苏省量子信息科学与技术重点实验室）
Recent quantum oscillation experiments in underdoped high temperature superconductors seem to imply two paradoxes. The first paradox concerns the apparent non-existence of the signature of the electron pockets in angle resolved photoemission spectroscopy (ARPES). The second paradox is a clear signature of a small electron pocket in quantum oscillation experiments, but no evidence as yet of the corresponding hole pockets of approximately double the frequency of the electron pocket. This hole pockets should be present if the Fermi surface reconstruction is due to a commensurate density wave, ass…
We investigate the electronic states of a one-dimensional two-orbital Hubbard model with band splitting by the exact diagonalization method. The Luttinger liquid parameter $K_ρ$ is calculated to obtain superconducting (SC) phase diagram as a function of on-site interactions: the intra- and inter-orbital Coulomb $U$ and $U'$, the Hund coupling $J$, and the pair transfer $J'$. In this model, electron and hole Fermi pockets are produced when the Fermi level crosses both the upper and lower orbital bands. We find that the system shows two types of SC phases, the SC \Roman{u'-large} for $U>U'$ and …
Doping evolution of the Fermi surface topology of Na$_x$CoO$_2$ is studied systematically. Both local density approximation (LDA) and local spin density approximation (LSDA) predict a large Fermi surface as well as small hole pockets for doping levels $x\sim$ 0.5. In contrast, the hole pockets are completely absent for all doping levels within LSDA+U. More importantly, we find no violation of Luttinger's rule in this system, contrary to a recent suggestion. The measured Fermi surface of Na$_{0.7}$CoO$_2$ can be explained by its half-metallic behavior and agrees with our LSDA+U calculations.
We report a systematic angle-resolved photoemission study on Na$_x$CoO$_2$ for a wide range of Na concentrations ($0.3 \leq x \leq 0.72$). In all the metallic samples at different $x$, we observed (i) only a single hole-like Fermi surface centered around $Γ$ and (ii) its area changes with $x$ according to the Luttinger theorem. We also observed a surface state that exhibits a larger Fermi surface area. The $e_g^\prime$ band and the associated small Fermi surface pockets near the $K$ points predicted by band calculations are found to ``sink'' below the Fermi energy in a manner almost independen…
We investigate the effect of a next-nearest neighbor hopping integral t' in the 1D t-J model, using Lanczos diagonalization of finite chains. Surprisingly, even moderate values of t' have a quite dramatic effect on the dynamical correlation functions and Fermi surface volume. The `holon' becomes diffuse and overdamped, the band structure near the Fermi energy is dominated by t'. Most importantly, however, with increasing hole concentration the system undergoes a phase transition from a `hole pocket' Fermi surface, where k_F corresponds to the number of holes rather than electrons, to a high do…
We analyze the pairing instabilities for fermions on hexagonal lattices (both honeycomb and triangular ones) in a wide range of fermionic densities. We argue that for a generic doping in this range, superconductivity at weak coupling is of Kohn-Luttinger type, and, due to the presence of electronic interactions beyond on-site repulsion, is a threshold phenomenon, with superconductivity emerging only if the attraction generated by the Kohn-Luttinger mechanism exceeds the bare repulsion in some channel. For disconnected Fermi pockets, we predict that Kohn-Luttinger superconductivity, if it occur…
Inspired by the recent discovery of superconductivity in the nickelate Nd$_{1-x}$Sr$_x$NiO$_2$, we study a generalized $t-J$ model to investigate the correlated phases induced by doping spin-one Ni$^{2+}$ into a spin $1/2$ Mott insulator formed by Ni$^{1+}$. Based on a three-fermion parton mean field analysis, we identify a robust fractional Fermi liquid (FL*) phase for almost every doping level. The FL* state is characterized by a small Fermi pocket on top of a spin liquid, which violates the Luttinger theorem of a conventional Fermi liquid and is an example of a symmetric pseudogap metal. Fu…
We applied the approach of K.-Y. Yang, T. M. Rice and F.-Ch. Zhang (YRZ) to analyze the high resolution angular resolved photo-emission spectroscopy (ARPES) data in BiSCO obtained recently at Brookhaven. In the YRZ ansatz a constant RVB gap is assumed which leads to Luttinger zeros along the antiferromagnetic Brillouin zone (AFBZ) and four Fermi pockets centered on the nodal directions. We relax the assumption of a constant RVB gap function, treating it as a Ising order parameter accompanied by thermal fluctuations. If these thermal fluctuations are very strong leading to strictly short range …
We present an exact diagonalization study of the self-energy of the two-dimensional Hubbard model. To increase the range of available cluster sizes we use a corrected t-J model to compute approximate Greens functions for the Hubbard model. This allows to obtain spectra for clusters with 18 and 20 sites. The self-energy has several `bands' of poles with strong dispersion and extended incoherent continua with k-dependent intensity. We fit the self-energy by a minimal model and use this to extrapolate the cluster results to the infinite lattice. The resulting Fermi surface shows a transition from…
In the conventional theory of density wave ordering in metals, the onset of spin density wave (SDW) order co-incides with the reconstruction of the Fermi surfaces into small 'pockets'. We present models which display this transition, while also displaying an alternative route between these phases via an intermediate phase with topological order, no broken symmetry, and pocket Fermi surfaces. The models involve coupling emergent gauge fields to a fractionalized SDW order, but retain the canonical electron operator in the underlying Hamiltonian. We establish an intimate connection between the su…
The perovskite ruthenate has attracted considerable interest due to reports of possible non-Fermi-liquid behavior and its proximity to a magnetic quantum critical point, yet its ground state and electronic structure remain enigmatic. Here we report the first measurements of the Fermi surface and quasiparticle dispersion in CaRuO3 through a combination of oxide molecular beam epitaxy and in situ angle-resolved photoemission spectroscopy. Our results reveal a complex and anisotropic Fermi surface consisting of small electron pockets and straight segments, consistent with the bulk orthorhombic cr…
We model the underdoped cuprates using fermions moving in a background with local antiferromagnetic order. The antiferromagnetic order fluctuates in orientation, but not in magnitude, so that there is no long-range antiferromagnetism, but a 'topological' order survives. The normal state is described as a fractionalized Fermi liquid (FL*), with electron-like quasiparticles coupled to the fractionalized excitations of the fluctuating antiferromagnet. The electronic quasiparticles reside near pocket Fermi surfaces enclosing total area x (the dopant density), centered away from the magnetic Brillo…
Strain control is one of the most promising avenues to search for new emergent phenomena in transition-metal-oxide films. Here, we investigate the strain-induced changes of electronic structures in strongly correlated LaNiO3 (LNO) films, using angle-resolved photoemission spectroscopy and the dynamical mean-field theory. The strongly renormalized eg-orbital bands are systematically rearranged by misfit strain to change its fermiology. As tensile strain increases, the hole pocket centered at the A point elongates along the kz-axis and seems to become open, thus changing Fermi-surface (FS) topol…
We use the dynamical cluster approximation, with a quantum Monte Carlo cluster solver on clusters of up to 16 orbitals, to investigate the evolution of the Fermi surface across the magnetic order-disorder transition in the two-dimensional doped Kondo lattice model. In the paramagnetic phase we observe the generic hybridized heavy fermion band structure with large Luttinger volume. In the antiferromagnetic phase, the heavy fermion band drops below the Fermi surface giving way to hole pockets centered around k=(pi/2,pi/2) and equivalent points. In this phase Kondo screening does not break down b…
Realization of topological superconductors is one of the most important goals in studies of topological phases in quantum materials. In this work, we theoretically propose a novel way to attain topological superconductors with non-trivial Fermi surfaces of Bogoliubov quasiparticles. Considering the interacting Luttinger model with $j\!=\!3/2$ electrons, we investigate the dominant superconducting channels for a multi-orbital quadratic band-touching system with finite chemical potential, which breaks the particle-hole symmetry in the normal state. Notably, while the system generally favors d-wa…
The quantum phase transitions of metals have been extensively studied in the rare-earth "heavy electron" materials, the cuprates, and related compounds. The Fermi surface of the metal often has different shapes in the states well away from the critical point. It has been proposed that these differences can persist up to the critical point, setting up a discontinuous Fermi surface change across a continuous quantum transition. We study square lattice antiferromagnets undergoing a continuous transition from a Neel state to a valence bond solid, and examine the fate of a small density of holes in…
We calculate the Fermi surface of electrons in hole-doped, extended t-J models on a square lattice in a regime where no long-range antiferromagnetic order is present, and no symmetries are broken. Using the "spinon-dopon" formalism of Ribeiro and Wen, we show that short-range antiferromagnetic correlations lead to a reconstruction of the Fermi surface into hole pockets which are not necessarily centered at the antiferromagnetic Brillouin zone boundary. The Brillouin zone area enclosed by the Fermi surface is proportional to the density of dopants away from half-filling, in contrast to the conv…
