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Register a new userOn the separability of dynamical and non-local correlations in three dimensions
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While second-order phase transitions always cause strong non-local fluctuations, their effect on spectral properties crucially depends on the dimensionality. For the important case of three dimensions, we show that the electron self-energy is well separable into a local dynamical part and static non-local contributions. In particular, our non-perturbative many-body calculations for the 3D Hubbard model at different fillings demonstrate that the quasi-particle weight remains essentially momentum-independent, also in the presence of overall large non-local corrections to the self-energy. Relying on this insight we propose a space-time-separated scheme for many-body perturbation theory that is up to ten times more efficient than current implementations. Besides these far-reaching implications for state-of-the-art electronic structure schemes, our analysis will also provide guidance to the quest of going beyond them.
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We review recent developments in electronic structure calculations that go beyond state-of-the-art methods such as density functional theory (DFT) and dynamical mean field theory (DMFT). Specifically, we discuss the following methods: GW as implemented in the Vienna {it ab initio} simulation package (VASP) with the self energy on the imaginary frequency axis, GW+DMFT, and ab initio dynamical vertex approximation (D$Gamma$A). The latter includes the physics of GW, DMFT and non-local correlations beyond, and allows for calculating (quantum) critical exponents. We present results obtained by the three methods with a focus on the benchmark material SrVO$_3$.
We recently introduced the dynamical cluster approximation(DCA), a new technique that includes short-ranged dynamical correlations in addition to the local dynamics of the dynamical mean field approximation while preserving causality. The technique is based on an iterative self-consistency scheme on a finite size periodic cluster. The dynamical mean field approximation (exact result) is obtained by taking the cluster to a single site (the thermodynamic limit). Here, we provide details of our method, explicitly show that it is causal, systematic, $Phi$-derivable, and that it becomes conserving as the cluster size increases. We demonstrate the DCA by applying it to a Quantum Monte Carlo and Exact Enumeration study of the two-dimensional Falicov-Kimball model. The resulting spectral functions preserve causality, and the spectra and the CDW transition temperature converge quickly and systematically to the thermodynamic limit as the cluster size increases.
Measuring how the magnetic correlations throughout the Brillouin zone evolve in a Mott insulator as charges are introduced dramatically improved our understanding of the pseudogap, non-Fermi liquids and high $T_C$ superconductivity. Recently, photoexcitation has been used to induce similarly exotic states transiently. However, understanding how these states emerge has been limited because of a lack of available probes of magnetic correlations in the time domain, which hinders further investigation of how light can be used to control the properties of solids. Here we implement magnetic resonant inelastic X-ray scattering at a free electron laser, and directly determine the magnetization dynamics after photo-doping the Mott insulator Sr$_2$IrO$_4$. We find that the non-equilibrium state 2~ps after the excitation has strongly suppressed long-range magnetic order, but hosts photo-carriers that induce strong, non-thermal magnetic correlations. The magnetism recovers its two-dimensional (2D) in-plane Neel correlations on a timescale of a few ps, while the three-dimensional (3D) long-range magnetic order restores over a far longer, fluence-dependent timescale of a few hundred ps. The dramatic difference in these two timescales, implies that characterizing the dimensionality of magnetic correlations will be vital in our efforts to understand ultrafast magnetic dynamics.
Orbital degrees of freedom in condensed matters could play important roles in forming a variety of exotic electronic states by interacting with conduction electrons. In 4f electron systems, because of strong intra-atomic spin-orbit coupling, an orbitally degenerate state inherently carries quadrupolar degrees of freedom. The present work has focussed on a purely quadrupole-active system PrIr2Zn20 showing superconductivity in the presence of an antiferroquadrupole order at TQ = 0.11 K. We observed non-Fermi liquid (NFL) behaviors emerging in the electrical resistivity and the 4f contribution to the specific heat, C_4f, in the paramagnetic state at T > TQ. Moreover, in magnetic fields below 6 T, all data set of the electrical resistivity and C_4f(T) are well scaled with characteristic temperatures T0s. This is the first observation of the NFL state in the nonmagnetic quadrupole-active system, whose origin is intrinsically different from that observed in the vicinity of the conventional quantum critical point. It implies possible formation of a quadrupole Kondo lattice resulting from hybridization between the quadrupoles and the conduction electrons. Below 0.13 K, the electrical resistivity and C_4f(T) exhibit anomalies as B approaches 5 T. This is the manifestation of a field-induced crossover toward a Fermi-liquid ground state in the quadrupole Kondo lattice.
Recent developments in high-temperature superconductivity highlight a generic tendency of the cuprates to develop competing electronic (charge) supermodulations. While coupled to the lattice and showing different characteristics in different materials, these supermodulations themselves are generally conceived to be quasi-two-dimensional, residing mainly in individual CuO2 planes, and poorly correlated along the c-axis. Here we observed with resonant elastic x-ray scattering a distinct type of electronic supermodulation in YBa2Cu3O7-x (YBCO) thin films grown epitaxially on La0.7Ca0.3MnO3 (LCMO). This supermodulation has a periodicity nearly commensurate with four lattice constants in-plane, eight out-of-plane, with long correlation lengths in three dimensions. It sets in far above the superconducting transition temperature and competes with superconductivity below this temperature for electronic states predominantly in the CuO2 plane. Our finding sheds new light on the nature of charge ordering in cuprates as well as a reported long-range proximity effect between superconductivity and ferromagnetism in YBCO/LCMO heterostructures.
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