73 citations · 226 across the 14 of their papers we have counts for
25 papers
Coupled-cluster study of dynamic Jahn-Teller effect in a W antifluorite
Teruki Matsuzaki, Liviu F. Chibotaru, Maristella Alessio +1
In correlated insulators, the interplay among coexisting charge, spin, orbital, and lattice degrees of freedom gives rise to rich quantum phenomena, while unraveling the interplay…
Coupled-cluster approach to vibronic effects in resonant inelastic x-ray scattering of quantum materials: Application to a rhenium oxide
Teruki Matsuzaki, Liviu F. Chibotaru, Maristella Alessio +1
First-principles analysis of the spectroscopic signatures of correlated quantum materials poses significant challenges due to the interplay between spin-orbit and vibronic coupling…
Breakdown of broken-symmetry approach to exchange interaction
Naoya Iwahara, Zhishuo Huang, Akseli Mansikkamäki +1
Broken-symmetry (BS) approaches are widely employed to evaluate Heisenberg exchange parameters, primarily in combination with DFT calculations. For many magnetic materials, BS-DFT…
First-principles derivation of elastic interaction between Jahn-Teller centers in crystals via lattice Green's functions
Zhishuo Huang, Naoya Iwahara, Liviu F. Chibotaru
Jahn-Teller (JT) systems with strong and intermediate vibronic coupling are described in terms of local JT active vibrational modes. In JT crystals, the elastic interaction of thes…
Vibronic effect on resonant inelastic x-ray scattering in cubic iridium hexahalides
Naoya Iwahara, Wataru Furukawa
In resonant inelastic x-ray scattering (RIXS) spectra of KIrCl, the peak for the multiplet states shows a splitting that resembles non-cubic crystal-field effect al…
Vibronic excitations in resonant inelastic x-ray scattering spectra of KRuCl
Naoya Iwahara, Shouta Shikano
We present the fingerprints of dynamic Jahn-Teller effect in resonant inelastic x-ray scattering (RIXS) spectra of KRuCl. We determined the dynamic Jahn-Teller model Hamilt…