No Arabic abstract
Controlling quantum critical phenomena in strongly correlated electron systems, which emerge in the neighborhood of a quantum phase transition, is a major challenge in modern condensed matter physics. Quantum critical phenomena are generated from the delicate balance between long-range order and its quantum fluctuation. So far, the nature of quantum phase transitions has been investigated by changing a limited number of external parameters such as pressure and magnetic field. We propose a new approach for investigating quantum criticality by changing the strength of quantum fluctuation that is controlled by the dimensional crossover in metallic quantum well (QW) structures of strongly correlated oxides. With reducing layer thickness to the critical thickness of metal-insulator transition, crossover from a Fermi liquid to a non-Fermi liquid has clearly been observed in the metallic QW of SrVO$_3$ by textit{in situ} angle-resolved photoemission spectroscopy. Non-Fermi liquid behavior with the critical exponent ${alpha} = 1$ is found to emerge in the two-dimensional limit of the metallic QW states, indicating that a quantum critical point exists in the neighborhood of the thickness-dependent Mott transition. These results suggest that artificial QW structures provide a unique platform for investigating novel quantum phenomena in strongly correlated oxides in a controllable fashion.
$In$ $situ$ angle-resolved photoemission spectroscopy (ARPES) has been performed on SrVO$_3$ ultrathin films, which show metallic quantum well (QW) states, to unveil the origin of the anomalous mass enhancement in the QW subbands. The line-shape analysis of the ARPES spectra reveals that the strength of the electron correlation increases as the subband bottom energy approaches the Fermi level. These results indicate that the anomalous subband-dependent mass enhancement mainly arises from the quasi-one-dimensional character of confined V $3d$ states as a result of their orbital-selective quantization.
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We present a detailed derivation of a quantum embedding theory recently introduced, which is based on the definition of effective Hamiltonians. The effect of the environment on a chosen active space is accounted for through screened Coulomb interactions evaluated using density functional theory. Importantly, the random phase approximation is not required and the evaluation of virtual electronic orbitals is circumvented with algorithms previously developed in the context of calculations based on many-body perturbation theory. In addition, we generalize the quantum embedding theory to active spaces composed of orbitals that are not eigenstates of Kohn-Sham Hamiltonians. Finally, we report results for spin defects in semiconductors.
We have systematically investigated substrate-strain effects on the electronic structures of two representative Sr-iridates, a correlated-insulator Sr$_2$IrO$_4$ and a metal SrIrO$_3$. Optical conductivities obtained by the emph{ab initio} electronic structure calculations reveal that the tensile strain shifts the optical peak positions to higher energy side with altered intensities, suggesting the enhancement of the electronic correlation and spin-orbit coupling (SOC) strength in Sr-iridates. The response of the electronic structure upon tensile strain is found to be highly correlated with the direction of magnetic moment, the octahedral connectivity, and the SOC strength, which cooperatively determine the robustness of $J_{eff}$=1/2 ground states. Optical responses are analyzed also with microscopic model calculation and compared with corresponding experiments. In the case of SrIrO$_3$, the evolution of the electronic structure near the Fermi level shows high tunability of hole bands, as suggested by previous experiments.
The Ruddlesden-Popper (RP) series of iridates (Srn+1IrnO3n+1) have been the subject of much recent attention due to the anticipation of emergent physics arising from the cooperative action of spin-orbit (SO) driven band splitting and Coulomb interactions[1-3]. However an ongoing debate over the role of correlations in the formation of the charge gap and a lack of understanding of the effects of doping on the low energy electronic structure have hindered experimental progress in realizing many of the predicted states[4-8] including possible high-Tc superconductivity[7,9]. Using scanning tunneling spectroscopy we map out the spatially resolved density of states in the n=2 RP member, Sr3Ir2O7 (Ir327). We show that the Ir327 parent compound, argued to exist only as a weakly correlated band insulator in fact possesses a substantial ~130meV charge excitation gap driven by an interplay between structure, SO coupling and correlations. A critical component in distinguishing the intrinsic electronic character within the inhomogeneous textured electronic structure is our identification of the signature of missing apical oxygen defects, which play a critical role in many of the layered oxides. Our measurements combined with insights from calculations reveal how apical oxygen vacancies transfer spectral weight from higher energies to the gap energies thereby revealing a path toward obtaining metallic electronic states from the parent-insulating states in the iridates.
Correlations between particles can lead to subtle and sometimes counterintuitive phenomena. We analyze one such case, occurring during the sudden expansion of fermions in a lattice when the initial state has a strong admixture of double occupancies. We promote the notion of quantum distillation: during the expansion, and in the presence of strongly repulsive interactions, doublons group together, forming a nearly ideal band insulator, which is metastable with a low entropy. We propose that this effect could be used for cooling purposes in experiments with two-component Fermi gases.