We study an extended Kitaev-Heisenberg model including additional anisotropic couplings by using two-dimensional density-matrix renormalization group method. Calculating the gound-state energy, entanglement entropy, and spin-spin correlation functions, we make a phase diagram of the extended Kitaev-Heisenberg model around spin-liquid phase. We find a zigzag antiferromagnetic phase, a ferromagnetic phase, a 120-degree antiferromagnetic phase, and two kinds of incommensurate phases around the Kitaev spin-liquid phase. Furthermore, we study the entanglement spectrum of the model and find that entanglement levels in the Kitaev spin-liquid phase are degenerate forming pairs but those in the magnetically ordered phases are non-degenerate. The Schmidt gap defined as the energy difference between the lowest two levels changes at the phase boundary adjacent to the Kitaev spin-liquid phase. However, we find that phase boundaries between magnetically ordered phases do not necessarily agree with the change of the Schmidt gap.

We study the Kitaev-Heisenberg model on a triangular lattice by using the two-dimensional density-matrix renormalization group method. Calculating the ground-state energy and spin structure factors, we obtain a ground-state phase diagram of the Kitaev-Heisenberg model. As suggested by previous studies, we find a 120• antiferromagnetic (AFM) phase, a Z 2 -vortex crystal phase, a nematic phase, a dual Z 2 -vortex crystal phase (the dual counterpart of the Z 2 -vortex crystal phase), a Z 6 ferromagnetic phase, and a dual ferromagnetic phase (the dual counterpart of the Z 6 ferromagnetic phase). Spin correlations discontinuously change at phase boundaries because of first-order phase transitions. We also study the relation among the von Neumann entanglement entropy, entanglement spectrum, and phase transitions of the model. We find that the Schmidt gap closes at phase boundaries and thus the entanglement entropy clearly changes as well. This is different from the Kitaev-Heisenberg model on a honeycomb lattice, where the Schmidt gap and entanglement entropy are not necessarily a good measure of phase transitions.

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Ultrafast pump-probe spectroscopy with high temporal and spectral resolutions provides new insight into ultrafast nonequilibrium phenomena. We propose that transient interference between pump and probe pulses is realized in pump-probe spectroscopy of band and Mott insulators, which can be observed only after recent developments of ultrafast spectroscopic techniques. A continuum structure in the excitation spectrum of band insulators is found to act as a medium for storing the spectral information of the pump pulse, and the spectrum detected by the probe pulse is interfered with by the medium, generating the transient interference in the energy domain. We also demonstrate the transient interference in the presence of electron correlations in a one-dimensional half-filled Hubbard model. Furthermore, bosons coupled to electrons additively contribute to the interference. Our finding will provide an interpretation of probe-energy-dependent oscillations recently observed in the pump-probe spectrum for a two-dimensional Mott insulator.

We investigate the ground state properties of Na2IrO3 based on numerical calculations of the recently proposed ab initio Hamiltonian represented by Kitaev and extended Heisenberg interactions. To overcome the limitation posed by small tractable system sizes in the exact diagonalization study employed in a previous study (Yamaji et al., Phys. Rev. Lett. 113, 107201 (2014)), we apply two-dimensional density matrix renomalization group, and infinite-size tensor-network method. By calculating at much larger system sizes, we critically test the validity of the exact diagonalization results. The results consistently indicate that the ground state of Na2IrO3 is a magnetically ordered state with zigzag configuration in agreement with experimental observations and the previous diagonalization study. Applications of the two independent methods in addition to the exact diagonalization study further uncover a consistent and rich phase diagram near the zigzag phase beyond the accessibility of the exact diagonalization. For example, in the parameter space away from the ab initio value of Na2IrO3 controlled by the trigonal distortion, we find three phases: (i) an ordered phase with the magnetic moment aligned mutually in 120 degrees orientation on every third hexagon, (ii) a magnetically ordered phase with a 16-site unit-cell, and (iii) an ordered phase with presumably incommensurate periodicity of the moment. It suggests that potentially rich magnetic structures may appear in A2IrO3 compounds for A other than Na. The present results also serve to establish the accuracy of the first-principles approach in reproducing the available experimental results thereby further contribute to find a route to realize the Kitaev spin liquid.

We demonstrate that supervised machine learning (ML) with entanglement spectrum can give useful information for constructing phase diagram in the half-filled one-dimensional extended Hubbard model. Combining ML with infinite-size density-matrix renormalization group, we confirm that bond-order-wave phase remains stable in the thermodynamic limit.

We theoretically investigate pump-probe optical responses in the two-dimensional extended Hubbard model describing cuprates by using a time-dependent Lanczos method. At half filling, pumping generates photoinduced absorptions inside the Mott gap. A part of low-energy absorptions is attributed to the independent propagation of photoinduced holons and doublons. The spectral weight just below the Mott gap increases with decreasing the on-site Coulomb interaction U . We find that the next-nearest-neighbor Coulomb interaction V1 enhances this U dependence, indicating the presence of biexcitonic contributions formed by two holon-doublon pairs. Photo-pumping in holedoped systems also induces spectral weights below remnant Mott-gap excitations, being consistent with recent experiments. The induced weights are less sensitive to V1 and may be related to the formation of a biexcitonic state in the presence of hole carriers.