286 citations · 1.2k across the 46 of their papers we have counts for
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-pseudospin states and the crystal field of cubic systems
Naoya Iwahara, Liviu Ungur, Liviu F. Chibotaru
Theory of -pseudospin for element in cubic environment is developed. By fulfilling the symmetry requirements and the adiabatic connection to atomic limit, the crysta…
Quadratic Jahn-Teller effect of fullerene anions
Dan Liu, Yasuyuki Niwa, Naoya Iwahara +2
The quadratic Jahn-Teller effect of C ( 1-5) is investigated from the first principles. Employing the density functional theory calculations with hybrid functional,…
Manifestation of vibronic dynamics in infrared spectra of Mott insulating fullerides
Yuki Matsuda, Naoya Iwahara, Katsumi Tanigaki +1
The fine structure and temperature evolution of infrared spectra have been intensively used to probe the nature of Jahn-Teller dynamics in correlated materials. At the same time, t…
Spin-orbital-lattice entangled states in cubic double perovskites
Naoya Iwahara, Veacheslav Vieru, Liviu F. Chibotaru
Interplay of spin-orbit coupling and vibronic coupling on heavy site of cubic double perovskites is investigated by ab initio calculations. The stabilization energy of spin-o…
Interplay of spin-dependent delocalization and magnetic anisotropy in the ground and excited states of [Gd@C] and [Gd@C]
Akseli Mansikkamäki, Alexey A. Popov, Qingming Deng +2
The magnetic properties and electronic structure of the ground and excited states of two recently characterized endohedral metallo-fullerenes, [Gd@C] (1) and [Gd$_…