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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…
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…
Wannier90 as a community code: new features and applications
Giovanni Pizzi, Valerio Vitale, Ryotaro Arita +28
Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electron…
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…