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Register a new userReal-space fluctuations of effective exchange integrals in high-Tc cuprates
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Added by
Marie-Bernadette Lepetit
Publication date
2009
fields
Physics
and research's language is
English
Authors
Sebastien Petit
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We present ab-initio calculations of effective magnetic exchange, $J$, as well as Hubbard parameters ($t$, $U$ and $delta varepsilon$) as a function of the local distribution of doping atoms for the high-$T_c$ superconducting $rm (Ca_xLa_{1-x})(Ba_{1.75-x}La_{0.25+x})Cu_3O_y$ family. We found that both the exchange and the energies of the magnetic orbitals are strongly dependant on the local dopant distribution, both through the induced modification of the apical oxygen location and of the induced local electrostatic potential. The $J$ real-space map, for a random distribution of dopants, positively compares with observed STS gap inhomogeneity maps. Similarly, the orbital energy fluctuations induce weak charge inhomogeneities on copper sites, that can be positively compared with the observed LDOS inhomogeneities. These results clearly support an extrinsic origin of both the gap inhomogeneities and LDOS.
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Large pulsed magnetic fields up to 60 Tesla are used to suppress the contribution of superconducting fluctuations (SCF) to the ab-plane conductivity above Tc in a series of YBa2Cu3O6+x single crystals. The fluctuation conductivity is found to vanish nearly exponentially with temperature, allowing us to determine precisely the field Hc(T) and the temperature Tc above which the SCFs are fully suppressed. Tc is always found much smaller than the pseudogap temperature. A careful investigation near optimal doping shows that Tc is higher than the pseudogap T*, which indicates that the pseudogap cannot be assigned to preformed pairs. For nearly optimally doped samples, the fluctuation conductivity can be accounted for by gaussian fluctuations following the Ginzburg-Landau scheme. A phase fluctuation contribution might be invoked for the most underdoped samples in a T range which increases when controlled disorder is introduced by electron irradiation. Quantitative analysis of the fluctuating magnetoconductance allows us to determine the critical field Hc2(0) which is found to be quite similar to Hc(0) and to increase with hole doping. Studies of the incidence of disorder on both Tc and T* enable us to propose a three dimensional phase diagram including a disorder axis, which allows to explain most observations done in other cuprate families.
Large pulsed magnetic fields up to 60 Tesla are used to suppress the contribution of superconducting fluctuations (SCF) to the ab-plane conductivity above Tc in a series of YBa2Cu3O(6+x). These experiments allow us to determine the field Hc(T) and the temperature Tc above which the SCFs are fully suppressed. A careful investigation near optimal doping shows that Tc is higher than the pseudogap temperature T*, which is an unambiguous evidence that the pseudogap cannot be assigned to preformed pairs. Accurate determinations of the SCF contribution to the conductivity versus temperature and magnetic field have been achieved. They can be accounted for by thermal fluctuations following the Ginzburg-Landau scheme for nearly optimally doped samples. A phase fluctuation contribution might be invoked for the most underdoped samples in a T range which increases when controlled disorder is introduced by electron irradiation. Quantitative analysis of the fluctuating magnetoconductance allows us to determine the critical field Hc2(0) which is found to be be quite similar to Hc(0) and to increase with hole doping. Studies of the incidence of disorder on both Tc and T* allow us to propose a three dimensional phase diagram including a disorder axis, which allows to explain most observations done in other cuprate families.
Two-dimensional (2D) Van Hove singularities (VHSs) associated with the saddle points or extrema of the energy dispersion usually show logarithmic divergences in the density of states (DOS). However, recent studies find that the VHSs originating from higher-order saddle-points have faster-than-logarithmic divergences, which can amplify electron correlation effects and create exotic states such as supermetals in 2D materials. Here we report the existence of high-order VHSs in the cuprates and related high-Tc superconductors and show that the anomalous divergences in their spectra are driven by the electronic dimensionality of the system being lower than the dimensionality of the lattice. The order of VHS is found to correlate with the superconducting Tc such that materials with higher order VHSs display higher Tcs. We further show that the presence of the normal and higher-order VHSs in the electronic spectrum can provide a straightforward marker for identifying the propensity of a material toward correlated phases such as excitonic insulators or supermetals. Our study opens up a new materials playground for exploring the interplay between high-order VHSs, superconducting transition temperatures and electron correlation effects in the cuprates and related high-Tc superconductors.
We revisit the problem of the spectra of two holes in a CuO$_{2}$ layer, modeled as a Cu-d$^{8}$ impurity with full multiplet structure coupled to a full O-2p band as an approximation to the local electronic structure of a hole doped cuprate. Unlike previous studies that treated the O band as a featureless bath, we describe it with a realistic tight binding model. While our results are in qualitative agreement with previous work, we find considerable quantitative changes when using the proper O-2p band structure. We also find (i) that only the ligand O-2p orbitals play an essential role, within this impurity model; (ii) that the three-orbital Emery model provides an accurate description for the subspace with $^{1}!A_1$ symmetry, which includes the ground-state in the relevant region of the phase diagram; (iii) that this ground-state has only $sim 50%$ overlap with a Zhang-Rice singlet; (iv) that there are other low-energy states, in subspaces with different symmetries, that are absent from the three-orbital Emery model and its one-band descendants. These states play an important role in describing the elementary excitations of doped cuprates.
A major challenge in understanding the cuprate superconductors is to clarify the nature of the fundamental electronic correlations that lead to the pseudogap phenomenon. Here we use ultrashort light pulses to prepare a non-thermal distribution of excitations and capture novel properties that are hidden at equilibrium. Using a broadband (0.5-2 eV) probe we are able to track the dynamics of the dielectric function, unveiling an anomalous decrease of the scattering rate of the charge carriers in a pseudogap-like region of the temperature ($T$) and hole-doping ($p$) phase diagram. In this region, delimited by a well-defined $T^*_{neq}(p)$ line, the photo-excitation process triggers the evolution of antinodal excitations from gapped (localized) to delocalized quasi-particles characterized by a longer lifetime. The novel concept of photo-enhanced antinodal conductivity is naturally explained within the single-band Hubbard model, in which the short-range Coulomb repulsion leads to a k-space differentiation between nodal quasiparticles and antinodal excitations.
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