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Nonlocal correlations induced by Hund's coupling: a cluster DMFT study
Yusuke Nomura, Shiro Sakai, Ryotaro Arita
We study spatial correlation effects in multiorbital systems, especially in a paramagnetic metallic state subject to Hund's coupling. We apply a cluster extension of the dynamical…
First-Principles Study of the Honeycomb-Lattice Iridates Na2IrO3 in the Presence of Strong Spin-Orbit Interaction and Electron Correlations
Youhei Yamaji, Yusuke Nomura, Moyuru Kurita +2
An effective low-energy Hamiltonian of itinerant electrons for iridium oxide Na2IrO3 is derived by an ab initio downfolding scheme. The model is then reduced to an effective spin m…
Multi-orbital cluster dynamical mean-field theory with an improved continuous-time quantum Monte Carlo algorithm
Yusuke Nomura, Shiro Sakai, Ryotaro Arita
We implement a multi-orbital cluster dynamical mean-field theory (DMFT), by improving a sample-update algorithm in the continuous-time quantum Monte Carlo method based on the inter…
Correlation effects in (111) bilayers of perovskite transition-metal oxides
Satoshi Okamoto, Wenguang Zhu, Yusuke Nomura +3
We investigate the correlation-induced Mott, magnetic, and topological phase transitions in artificial (111) bilayers of perovskite transition-metal oxides LaAuO and SrIrO…