182 citations · 646 across the 17 of their papers we have counts for
16 papers
Deriving models for the Kitaev spin-liquid candidate material -RuCl from first principles
Casey Eichstaedt, Yi Zhang, Pontus Laurell +3
We use the constrained random phase approximation (cRPA) to derive from first principles the Ru- Wannier function based model for the Kitaev spin-liquid candidate material…
All-electron self-consistent GW in the Matsubara-time domain: implementation and benchmarks of semiconductors and insulators
Iek-Heng Chu, Jonathan P. Trinastic, Yun-Peng Wang +4
The GW approximation is a well-known method to improve electronic structure predictions calculated within density functional theory. In this work, we have implemented a computation…
Microscopic and Spectroscopic Evidence for a Slater Metal-Insulator Transition in Sr2IrO4
Qing Li, Guixin Cao, Satoshi Okamoto +12
Layered 5d transition metal oxides (TMOs) have attracted significant interest in recent years because of the rich physical properties induced by the interplay between spin-orbit co…
Mechanism of enhanced optical second-harmonic generation in the conducting pyrochlore-type PbIrO oxide compound
Yasuyuki Hirata, Makoto Nakajima, Yusuke Nomura +8
The structural, electronic, and optical properties of pyrochlore-type PbIrOO', which is a metal without spatial inversion symmetry at room temperature, w…
{\it Ab initio} Studies on the Interplay between Spin-Orbit Interaction and Coulomb Correlation in SrIrO and BaIrO
R. Arita, J. Kuneš, A. V. Kozhevnikov +2
{\it Ab initio} analyses of AIrO (A=Sr, Ba) are presented. Effective Hubbard-type models for Ir 5 manifolds downfolded from the global band structure are solved…
Low-Energy Charge-Density Excitations in MgB: Striking Interplay between Single-Particle and Collective Behavior for Large Momenta
Y. Q. Cai, P. C. Chow, O. D. Restrepo +12
A sharp feature in the charge-density excitation spectra of single-crystal MgB, displaying a remarkable cosine-like, periodic energy dispersion with momentum transfer () a…