While both the hole and electron doped cuprates can exhibit $d_{x^2-y^2}$-wave superconductivity, the local distribution of the doped carriers is known to be significantly different with the doped holes going primarily on the O sites while the doped electrons go on the Cu sites. Here we report the results of density matrix renormalization calculations for a three-orbital model of a CuO$_2$ lattice. In addition to the asymmetric dependence of the intra-unit-cell occupation of the Cu and O for hole and electron doping, we find important differences in the longer range spin and charge correlations. As expected, the pair-field response has a $d_{x^2-y^2}$-like structure for both the hole and electron doped systems.
The magnetic correlations within the cuprates have undergone intense scrutiny as part of efforts to understand high temperature superconductivity. We explore the evolution of the magnetic correlations along the nodal direction of the Brillouin zone in La2-xSrxCuO4, spanning the doping phase diagram from the anti-ferromagnetic Mott insulator at x = 0 to the metallic phase at x = 0.26. Magnetic excitations along this direction are found to be systematically softened and broadened with doping, at a higher rate than the excitations along the anti-nodal direction. This phenomenology is discussed in…
Comment on "Measurement of x-ray absorption spectra of overdoped high-temperature cuprate superconductors: Inapplicability of the single-band Hubbard model"
在最近的一封信中，Peets等人测量了过掺杂La $_{2-x}$ Sr $_x$ CuO $_{4\pmδ}$（LSCO）和Tl $_2$ Ba $_2$ CuO $_{6+δ}$中氧K边处的X射线强度。他们声称，与LSCO和YBa $_2$ Cu $_3$ O $_x$的欠掺杂样品不同，在欠掺杂样品中，积分强度至少随掺杂呈线性增加，但当空穴数超过$x\approx 0.23$时，它会突然饱和。他们将饱和解释为铜酸盐中1-能带哈伯德模型的崩溃。然而，我们表明，他们的结果是在定量协议的1带哈伯德模型。
The structural and electronic properties of La$_{2-x}$Ba$_x$CuO$_4$ were investigated as a function of Ba-concentration $0 \leq x \leq 1.2$, within the virtual crystal approximation (VCA) by means of first-principles total-energy calculations. We found Ba doping induces a quasi-rigid displacement of Cu d$_{x^{2}-y^{2}}$ and d$_{z^{2}}$ bands toward higher energies. This effect generates important changes in the Fermi surface topology, which manage to imitate the ARPES momentum distribution map (MDM) measurements and tight-binding calculations recently reported for doped La-based cuprates. The …
Doping dependence of 2-spinon excitations in the doped 1D cuprate Ba$_2$CuO$_{3+δ}$
Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory（斯坦福材料能源科学研究所，SLAC国家加速器实验室）；Department of Applied Physics, Stanford University（斯坦福大学应用物理系）；Department of Physics, Southern University of Science and Technology（南方科技大学物理系）；Diamond Light Source（钻石光源）；National Synchrotron Light Source II, Brookhaven National Laboratory（美国布鲁克海文国家实验室第二代同步辐射光源）
Using resonant X-ray diffraction and Raman spectroscopy, we study charge correlations and lattice dynamics in two model cuprates, HgBa$_{2}$CuO$_{4+δ}$ and HgBa$_{2}$CaCu$_{2}$O$_{6+δ}$. We observe a maximum of the characteristic charge order temperature around the same hole concentration ($p \approx 0.09$) in both compounds, and concomitant pronounced anomalies in the lattice dynamics that involve the motion of atoms in and/or adjacent to the CuO$_2$ layers. These anomalies are already present at room temperature, and therefore precede the formation of the static charge correlations, and we a…
Doping evolution of the electronic structure in the single-layer cuprates Bi$_2$Sr$_{2-x}$La$_x$CuO$_{6+δ}$: Comparison with other single-layer cuprates
我们已经进行了角分辨光电子能谱和芯层X射线光电子能谱研究的单层铜酸盐Bi $_2$ Sr $_{2-x}$ La $_x$ CuO $_{6+δ}$（Bi 2201），并揭示了掺杂的电子结构的演变从轻掺杂到最佳掺杂区域。我们已经观察到的色散准粒子带的形成，费米“弧”的费米面的演变和化学势的移动与空穴掺杂在其他铜酸盐。Bi 2201中的掺杂演变类似于Ca $_{2-x}$ Na $_{x}$ CuO $_{2}$ Cl $_2$（Na-CCOC）中的掺杂演变，其中已经观察到朝向母绝缘体的较低哈伯德带的快速化学势偏移，但是与La $_{2-x}$ Sr $_{x}$ CuO $_{4}$（LSCO）中的掺杂演变完全不同，其中化学势不偏移，而色散带和费米弧/表面已经在轻掺杂区中的费米能级周围形成。利用紧束缚拟合定量分析了费米面形状和能带色散，推导出的次近邻跳跃积分$t'$也证实了与Na-CCOC的相似性和与LSCO的不同.
Point contact spectroscopy of the electron-doped cuprate superconductor Pr{2-x}Ce{x}CuO4: The dependence of conductance-voltage spectra on cerium doping, barrier strength and magnetic field
Cluster perturbation theory is applied to the two-dimensional Hubbard $t-t'-t''-U$ model to obtain doping and temperature dependent electronic spectral function with $4 \times 4$ and 12-site clusters. It is shown that evolution of the pseudogap and electronic dispersion with doping and temperature is similar and in both cases it is significantly influenced by spin-spin short-range correlations. When short-range magnetic order is weakened by doping or temperature and Hubbard-I like electronic dispersion becomes more pronounced, the Fermi arc turns into large Fermi surface and the pseudogap clos…
We compute dynamic spin susceptibilities in the two-dimensional Hubbard model using the method of Dual Fermions and provide comparison to lattice Monte Carlo and cluster dynamical mean field theory. We examine the energy dispersion identified by peaks in ${\rm Im}χ(ω,q)$ which define spin modes and compare the exchange scale and magnon dispersion to neutron experiments on the parent La$_2$CuO$_4$ cuprate. We present the evolution of the spin excitations as a function of Hubbard interaction strengths and doping and explore the particle-hole asymmetry of the spin excitations. We also study the c…
We study the effect of disorder and doping on the metal-insulator transition in a repulsive Hubbard model on a square lattice using the determinant quantum Monte Carlo method. First, with the aim of making our results reliable, we compute the sign problem with various parameters such as temperature, disorder, on-site interactions, and lattice size. We show that in the presence of randomness in the hopping elements, the metal-insulator transition occurs and the critical disorder strength differs at different fillings. We also demonstrate that doping is a driving force behind the metal-insulator…
We revisit the unrestricted Hartree Fock study on the evolution of the ground state of the Hubbard model on the triangular lattice with hole doping. At half-filling, it is known that the ground state of the Hubbard model on triangular lattice develops a 120 degree coplanar order at half-filling in the strong interaction limit, i.e., in the spin 1/2 anti-ferromagnetic Heisenberg model on the triangular lattice. The ground state property in the doped case is still in controversy even though extensive studies were performed in the past. Within Hartree Fock theory, we find that the 120 degree orde…
We use angle-resolved photoemission spectroscopy to study the doping evolution of infinite-layer Sr$_{1-x}$La$_{x}$CuO$_{2}$ thin films grown by molecular-beam epitaxy. At low doping, the material exhibits a dispersive lower Hubbard band typical of the superconducting cuprate parent compounds. As carriers are added to the system, a continuous evolution from charge-transfer insulator to superconductor is observed, with the initial lower Hubbard band pinned well below the Fermi level and the development of a coherent low-energy band with electron doping. This two-component spectral function emph…
We have studied the doping-driven orbital-selective Mott transition in multi-band Hubbard models with equal band width in the presence of crystal field splitting. Crystal field splitting lifts one of the bands while leaving the others degenerate. We use single-site dynamical mean-field theory combined with continuous time quantum Monte Carlo impurity solver to calculate a phase diagram as a function of total electron filling $N$ and crystal field splitting $Δ$. We find a large region of orbital-selective Mott phase in the phase diagram when the doping is large enough. Further analysis indicate…
The specific heat $C$ of the cuprate superconductors La$_{2-x}$Sr$_x$CuO$_4$ and Bi$_{2+y}$Sr$_{2-x-y}$La$_x$CuO$_{6+δ}$ was measured at low temperature (down to $0.5~{\rm K}$), for dopings $p$ close to $p^\star$, the critical doping for the onset of the pseudogap phase. A magnetic field up to $35~{\rm T}$ was applied to suppress superconductivity, giving direct access to the normal state at low temperature, and enabling a determination of $C_e$, the electronic contribution to the normal-state specific heat, at $T \to 0$. In La$_{2-x}$Sr$_x$CuO$_4$ at $x=p = 0.22$, $0.24$ and $0.25$, $C_e / T …
We measure the dispersion of the Cu-O bond-stretching phonon mode in the high-temperature superconducting parent compound Ca$_2$CuO$_2$Cl$_2$. Our density functional theory calculations predict a cosine-shaped bending of the dispersion along both the ($ξ$00) and ($ξξ$0) directions, while comparison with previous results on Ca$_{1.84}$CuO$_2$Cl$_2$ show it only along ($ξ$00), suggesting an anisotropic effect which is not reproduced in calculation at optimal doping. Comparison with isostructural La$_{2-x}$Sr$_x$CuO$_4$ suggests that these calculations reproduce well the overdoped regime, however…
The $S=1/2$ antiferromagnetic Heisenberg spin chain compound Sr$_2$CuO$_3$ doped with $1 \%$ and $2 \%$ of Ni impurities has been studied by means of $^{63}$Cu nuclear magnetic resonance. A strong decrease of the spin-lattice relaxation rate $T_1^{-1}$ at low temperatures points toward a spin gap, while a stretching exponent $λ< 1$ and a frequency dependence of $T_1^{-1}$ indicate that this spin gap varies spatially and should rather be characterized as a spin pseudogap. The magnitude of the spin pseudogap scales with doping level. Our results therefore evidence the finite-size character of th…
Doping and strain dependences of the electronic structure of the CuO6-octahedra layer within LDA+GTB method in the frameworks of six-band p-d model are calculated. Band structure and Fermi surface of the quasiparticle excitations in the effective Hubbard model are characterized by inhomogeneous distribution of the k-dependent spectral weight. Doping results in reconstruction of the band structure, redistribution of the spectral weight over dispersion surface and reconstruction of Fermi surface from small hole pockets in the underdoped region to large hole contour in the overdoped region throug…
The Seebeck coefficient $S$ of the cuprate superconductor La$ _{2-x} $Sr$_{x} $CuO$ _{4}$ (LSCO) was measured in magnetic fields large enough to access the normal state at low temperatures, for a range of Sr concentrations from $x = 0.07$ to $x = 0.15$. For $x = 0.11$, 0.12, 0.125 and 0.13, $S/T$ decreases upon cooling to become negative at low temperatures. The same behavior is observed in the Hall coefficient $R_{H}(T)$. In analogy with other hole-doped cuprates at similar hole concentrations $p$, the negative $S$ and $R_{H}$ show that the Fermi surface of LSCO undergoes a reconstruction cau…
The recent observation of cyclotron resonance in optimally-doped La$_{2-x}$Sr$_x$CuO$_4$ using time-domain THz spectroscopy in high magnetic field has given new possibilities for the study of cuprate superconductors. One can measure the cyclotron mass in more disordered cuprates possesing short scattering times therefore expanding the study to materials and dopings in which quantum oscillations have not been observed. Here we present the measurement of the carrier mass of the hole doped cuprate La$_{2-x}$Sr$_x$CuO$_4$ across a a range of dopings spanning the slightly underdoped ($x=0.13$) to h…
To shed light on how electronic correlations vary across the phase diagram of the cuprate superconductors, we examine the doping evolution of spin and charge excitations in the single-band Hubbard model using determinant quantum Monte Carlo (DQMC). In the single-particle response, we observe that the effects of correlations weaken rapidly with doping, such that one may expect the random phase approximation (RPA) to provide an adequate description of the two-particle response. In contrast, when compared to RPA, we find that significant residual correlations in the two-particle excitations persi…
Effects of hole-doping on the magnetic ground state and excitations in the edge-sharing CuO$_2$ chains of Ca$_{2+x}$Y$_{2-x}$Cu$_5$O$_{10}$
对未掺杂和空穴掺杂的Ca $_{2+x}$ Y $_{2-x}$ Cu $_5$ O $_{10}$进行了中子散射实验。先前报道，在未掺杂的Ca $_2$ Y $_2$ Cu $_5$ O $_{10}$中，沿着链存在自旋波激发的异常加宽，这主要由反铁磁链间相互作用引起[Matsuda $et$ $al.$，Phys.Rev.B63，180403（R）（2001）]。温度和空穴浓度的依赖性的磁激发的系统研究表明，磁激发软化和扩大与温度的增加或掺杂孔的$Q$方向无关。$Q$越高，加宽越大。一个典型的特征是，空穴掺杂是更有效地扩大沿链的激发。研究还表明，虽然各向异性相互作用和链间相互作用降低，但链内相互作用并不随温度的升高或掺杂而改变。在自旋玻璃相（$x$ =1.5）和近无序相（$x$ =1.67）中，磁激发在能量和$Q$上加宽得多。认为自旋玻璃相起源于空穴反铁磁团簇。
