We describe from advanced first principles calculations the energetics of oxygen doping and its relation to insulator-metal transitions in underdoped YBa$_2$Cu$_3$O$_{6+x}$. We find a strong tendency of doping oxygens to order into non-magnetic Cu$^{1+}$O$_x$ chains at any $x$. Ordering produces one-dimensional metallic bands, while configurations with non-aligned oxygens are insulating. The Cu$^{2+}$O$_2$ planes remain insulating and antiferromagnetic up to a threshold between $x$=0.25 and 0.5, above which a paramagnetic normal-metal state prevails. The in-plane antiferro-paramagnetic competition depends on $x$, but only weakly on the ordering state of the chains.
Commensurate antiferromagnetic ordering has been observed in the superconducting high-$Tc$ cuprate ${\rm YBa_{2}Cu_{3}O_{6.5}}$ (${\rm T_{c}}$=55 K) by polarized and unpolarized elastic neutron scattering. The magnetic peak intensity exhibits a marked enhancement at $T_{c}$. Zero-field $μ$SR experiments demonstrate that the staggered magnetization is not truly static but fluctuates on a nanosecond time scale. These results point towards an unusual spin density wave state coexisting with superconductivity.
Doping the high-Tc superconductor YBa2Cu3O6.7 with 1.5 % of non-magnetic Zn impurities in CuO2 planes is shown to produce a considerable broadening of 63Cu NMR spectra, as well as an increase of low-energy magnetic fluctuations detected in 63Cu spin-lattice relaxation measurements. A model-independent analysis demonstrates that these effects are due to the development of staggered magnetic moments on many Cu sites around each Zn and that the Zn-induced moment in the bulk susceptibility might be explained by this staggered magnetization. Several implications of these enhanced antiferromagnetic …
In-plane and out-of-plane magnetoresistivities (MR) of antiferromagnetic YBa_2Cu_3O_6.25 single crystals were measured in magnetic fields H applied along the (ab) plane. In-plane MR is a superposition of two components: The first component is strongly in-plane anisotropic, changing sign from negative when H is parallel to the electrical current I to positive when H is perpendicular to I. The second component is positive, quadratic in H, and isotropic in the (ab)-plane. The out-of-plane MR displays a fourfold symmetry upon in-plane rotation of the magnetic field, with maxima along the easy axes…
Specific d-wave angular dependence of the in-plane magnetoresistence in antiferromagnetic tetragonal YBa_{2}Cu_{3}O_{6+x} (x~0.3) on orientation of the external magnetic field in (a,b) plane is assigned to the effective hole transport through low lying excited purely oxygen doublet O2pe_u state, not the ground b_{1g}(d_{x^2-y^2}) state. External magnetic field determines the orientation of the strong exchange field for the spin-triplet b_{1g}e_u:{}^{3}E_u state of the hole CuO_4 center and due to the spin-orbital coupling results in either orbital polarization of the E_u doublet giving rise to…
We report novel features in the in-plane magnetoresistance (MR) of heavily underdoped YBa_2Cu_3O_{6+x}, which unveil a developed ``charged stripe'' structure in this system. One of the striking features is an anisotropy of the MR with a "d-wave" symmetry upon rotating the magnetic field H within the ab plane, which is caused by the rotation of the stripes with the external field. With decreasing temperature, a hysteresis shows up below ~20 K in the MR curve as a function of H and finally below 10 K the magnetic-field application produces a persistent change in the resistivity. This "memory eff…
We report on a contrasting behavior of the in-plane and out-of-plane magnetoresistance (MR) in heavily underdoped antiferromagnetic (AF) YBa_2Cu_3O_{6+x} (x<0.37). The out-of-plane MR (I//c) is positive over most of the temperature range and shows a sharp increase, by about two orders of magnitude, upon cooling through the Neel temperature T_N. A contribution associated with the AF correlations is found to dominate the out-of-plane MR behavior for H//c from far above T_N, pointing to the key role of spin fluctuations in the out-of-plane transport. In contrast, the transverse in-plane MR (I//a(…
This paper has been withdrawn by the authors, because of results obtained from a more exhaustive study of both YBa_2Cu_3O_y and La_{2-x}Sr_xCuO_4 (see cond-mat/0610051).
We study the destruction of the antiferromagnetic order in the high-Tc superconductors La(2-x)Sr(x)CuO(4) and YBa(2)Cu(3)O(6+x) in the framework of the CP1-nonlinear sigma model formulation of the 2D quantum Heisenberg antiferromagnet. The dopants are introduced as independent fermions with appropriate dispersion relations determined by the shape of the Fermi surface. The energy of skyrmion topological defects, which are shown to be introduced by doping, is used as an order parameter for antiferromagnetic order. We obtain analytic expressions for this as a function of doping which allow us to …
Antiferromagnetic (AFM) order and a spatial order peculiar to Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) states, previously indicated in the quasi two-dimensional d-wave superconductors CeCoIn_5 with strong paramagnetic pair breaking (PPB) in a magnetic-field parallel to the basal plane, are considered in the field configurations tilted from the basal plane within an approach assuming that the wavelength of the FFLO modulation is relatively long. It is demonstrated that, with increasing the tilt angle, both the AFM and FFLO orders are gradually suppressed, and that disappearance of the AFM order …
Neutron Scattering measurements for YBa$_2$Cu$_3$O$_{6.6}$ have identified small magnetic moments that increase in strength as the temperature is reduced below $T^\ast$ and further increase below $T_c$. An analysis of the data shows the moments are antiferromagnetic between the Cu-O planes with a correlation length of longer than 195 Åin the $a$-$b$ plane and about 35 Åalong the c-axis. The origin of the moments is unknown, and their properties are discusssed both in terms of Cu spin magnetism and orbital bond currents.
We report magnetoresistivity measurements on strongly underdoped YBa_2Cu_3O_x (x=6.25, 6.36) single crystals in applied magnetic fields H || c-axis. We identify two different contributions to both in-plane and out-of-plane magnetoresistivities. The first contribution has the same sign as the temperature coefficient of the resistivity \partial ln(ρ_i)/\partial T (i={c,ab}). This contribution reflects the incoherent nature of the out-of-plane transport. The second contribution is positive, quadratic in field, with an onset temperature that correlates to the antiferromagnetic ordering.
The magnetic spectrum at high-energies in heavily underdoped YBa$_{2}$Cu$_{3}$O$_{6.35}$ (T$_{c}$=18 K) has been determined throughout the Brillouin zone. At low-energy the scattering forms a cone of spin excitations emanating from the antiferromagnetic (0.5, 0.5) wave vector with an acoustic velocity similar to that of insulating cuprates. At high energy transfers, below the maximum energy of 270 meV at (0.5, 0), we observe zone boundary dispersion much larger and spectral weight loss more extensive than in insulating antiferromagnets. Moreover we report phenomena not found in insulators, an …
We present a study of the in-plane and out-of-plane magnetoresistance (MR) in heavily-underdoped, antiferromagnetic YBa_2Cu_3O_{6+x}, which reveals a variety of striking features. The in-plane MR demonstrates a "d-wave"-like anisotropy upon rotating the magnetic field H within the ab plane. With decreasing temperature below 20-25 K the system acquires memory: exposing a crystal to the magnetic field results in a persistent in-plane resistivity anisotropy. The overall features can be explained by assuming that the CuO_2 planes contain a developed array of stripes accommodating the doped holes, …
The local electronic structure of YBa2Cu3O7 has been calculated using first-principles cluster methods. Several clusters embedded in an appropriate background potential have been investigated. The electric field gradients at the copper and oxygen sites are determined and compared to previous theoretical calculations and experiments. Spin polarized calculations with different spin multiplicities have enabled a detailed study of the spin density distribution to be made and a simultaneous determination of magnetic hyperfine coupling parameters. The contributions from on-site and transferred hyper…
We study theoretically the chain and in-plane optical conductivities of detwinned YBa$_2$Cu$_3$O$_{y}$. We elaborate that the chain is superconducting for $y>6.67$ while insulating for $y<6.67$ due to the competition between the plane-chain coupling and the antiferromagnetic order, corresponding to a superconductor-insulator transition. Stemming also from the coupling between the plane and chain, a new peak emerges at a low frequency in the in-plane spectra in the superconducting state, while it disappears in the normal state. Our scenario accounts satisfactorily for very recent experiments.
We measure the nuclear quadrupole resonance (NQR) signal on the Zn site in nearly optimally doped YBa$_2$Cu$_3$O$_{6.92}$, when Cu is substituted by 3\% of isotopically pure $^{67}$Zn. We observe that Zn creates large insulating islands, confirming two earlier conjectures: that doping provokes an orbital transition in the CuO$_2$ plane, which is locally reversed by Zn substitution, and that the islands are antiferromagnetic. Also, we find that the Zn impurity locally induces a breaking of the D$_4$ symmetry. Cluster and DFT calculations show that the D$_4$ symmetry breaking is due to the same …
In the cuprate superconductor $YBa_2Cu_3O_{6+x}$, hole doping in the $CuO_2$ layers is controlled by both oxygen content and the degree of oxygen-ordering. At the composition $\rm YBa_2Cu_3O_{6.35}$, the ordering can occur at room temperature, thereby tuning the hole doping so that the superconducting critical temperature gradually rises from zero to 20 K. Here we exploit this to study the c-axis penetration depth as a function of temperature and doping. The temperature dependence shows the d-wave superconductor surviving to very low doping, with no sign of another ordered phase interfering wi…
The charge density wave in the high-temperature superconductor YBa$_2$Cu$_3$O$_{7-x}$ (YBCO) is now known to have two different ordering tendencies differentiated by their $c$-axis correlations. These correspond to ferro- (F-CDW) and antiferro- (AF-CDW) couplings between CDW in neighbouring CuO$_2$ bilayers. This discovery has prompted a number of fundamental questions. For example, how does superconductivity adjust to two competing orders and are either of these orders responsible for the electronic reconstruction? Here we use high-energy x-ray diffraction to study YBa$_2$Cu$_3$O$_{6.67}$ as …
A classical statistical model for the antiferromagnetic (AFM) ordering of the Cu-spins in the CuO_2 planes of reduced YBa_2Cu_3O_{6+x} type materials is presented. The magnetic phases considered are the experimentally observed high-temperature AFI phase with ordering vector Q_I=(1/2,1/2,0), and the low-temperature phases: AFII with Q_II=(1/2,1/2,1/2) and intermediate TA (Turn Angle) phases TAI, TAII and TAIII with components of both ordering vectors. It is shown that the AFII and TA phases result from an effective ferromagnetic (FM) type coupling mediated by free spins in the CuO_x basal plane…
From the observed oxygen-isotope shift of the mid-infrared two-magnon absorption peak of YBa$_{2}$Cu$_{3}$O$_{6}$, we evaluate the oxygen-isotope effect on the in-plane antiferromagnetic exchange energy $J$. The exchange energy $J$ in YBa$_{2}$Cu$_{3}$O$_{6}$ is found to decrease by about 0.9% upon replacing $^{16}$O by $^{18}$O, which is slightly larger than that (0.6%) in La$_{2}$CuO$_{4}$. From the oxygen-isotope effects, we determine the lower limit of the polaron binding energy, which is about 1.7 eV for YBa$_{2}$Cu$_{3}$O$_{6}$ and 1.5 eV for La$_{2}$CuO$_{4}$, in quantitative agreement …
The issue of interlayer exchange coupling in magnetic multilayers with superconducting (SC) spacer is addressed in La$_{0.67}$Sr$_{0.33}$MnO$_{3}$ (LSMO) - YBa$_{2}$Cu$_{3}$O$_{7}$ (YBCO) - La$_{0.67}$Sr$_{0.33}$MnO$_{3}$ (LSMO) epitaxial trilayers through resistivity, ac-susceptibility and magnetization measurements. The ferromagnetic (FM) LSMO layers possessing in-plane magnetization suppress the critical temperature (T$_{c})$ of the c-axis oriented YBCO thin film spacer. The superconducting order, however, survives even in very thin layers (thickness d$_{Y} \sim $ 50 Å, $\sim $ 4 unit cells…
We perform a numerical simulation of a three-band Hubbard model with two CuO$_2$ planes and a single CuO chain layer for YBCO cuprates. The spin-fluctuation mediated pairing interaction is computed within the multiband random-phase approximation, and its pairing eigenvalues and eigenfunctions are solved as a function of chain state filling factor $n_c$. We find that for the intrinsic value of $n_c$ in YBCO samples, one obtains the usual $d$-wave pairing symmetry. However, if we dope the chain layers with holes, while keeping the plane states doping fixed, the leading pairing symmetry solution …
Using neutron scattering we have determined the magnetic structure and fluctuations in the YBa2Cu3O6.35 superconductor (Tc=18 K). The long-range ordered collinear spins of the insulating antiferromagnet are replaced by a commensurate central mode arising from slow, isotropically polarized, short-range spin correlations. The inelastic spectrum up to 30 meV is broad in wave vector and commensurate. In contrast to the the resonance peak of higher Tc superconductors, the spins exhibit a single overdamped spectrum whose rate of relaxation decreases on cooling and saturates at 5 meV below 50 K. As t…
We present a neutron triple-axis and resonant spin-echo spectroscopy study of the spin correlations in untwinned YBCO crystals with x= 0.3, 0.35, and 0.45 as a function of temperature and magnetic field. As the temperature T approaches 0, all samples exhibit static incommensurate magnetic order with propagation vector along the a-direction in the CuO2 planes. The incommensurability delta increases monotonically with hole concentration, as it does in LSCO. However, delta is generally smaller than in LSCO at the same doping level. The intensity of the incommensurate Bragg reflections increases w…
