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Strongly Anharmonic Organic Cation Vibrations in Hybrid Lead Halide Perovskite CH3NH3PbI3 on Electronic Ground State
Kunie Ishioka, Terumasa Tadano, Masatoshi Yanagida +2
Ultrafast vibrational dynamics of inorganic-organic hybrid lead halide perovskite CH3NH3PbI$ in the room-temperature tetragonal phase is investigated under moderate photoexcitation…
Materials design of dynamically stable layered nickelates
Motoaki Hirayama, Terumasa Tadano, Yusuke Nomura +1
Motivated by the recent discovery of superconductivity in the Sr-doped layered nickelate NdNiO, we perform a systematic computational materials design of layered nickelates tha…
Exploring diamond-like lattice thermal conductivity crystals via feature-based transfer learning
Shenghong Ju, Ryo Yoshida, Chang Liu +3
Ultrahigh lattice thermal conductivity materials hold great importance since they play a critical role in the thermal management of electronic and optical devices. Models using mac…
Formation of 2D single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2
Yusuke Nomura, Motoaki Hirayama, Terumasa Tadano +3
Motivated by the recent experimental discovery of superconductivity in the infinite-layer nickelate Nd0.8Sr0.2NiO2 [Li et al., Nature 572, 624 (2019)], we study how the correlated…
Quantum Crystal Structure in the 250 K Superconducting Lanthanum Hydride
Ion Errea, Francesco Belli, Lorenzo Monacelli +8
The discovery of superconductivity at 200 K in the hydrogen sulfide system at large pressures [1] was a clear demonstration that hydrogen-rich materials can be high-temperature sup…
derivation of effective Hamiltonian for LaCuO/LaSrCuO heterostructure
Terumasa Tadano, Yusuke Nomura, Masatoshi Imada
We formulate a method of deriving effective low-energy Hamiltonian for nonperiodic systems such as interfaces for strongly correlated electron systems by extending conventional mul…