80 citations · 244 across the 13 of their papers we have counts for
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Hydrogen-induced tunable remanent polarization in a perovskite nickelate
Yifan Yuan, Michele Kotiuga, Tae Joon Park +18
Materials with field-tunable polarization are of broad interest to condensed matter sciences and solid-state device technologies. Here, using hydrogen (H) donor doping, we modify t…
Understanding the role of Hubbard corrections in the rhombohedral phase of BaTiO
G. Gebreyesus, Lorenzo Bastonero, Michele Kotiuga +2
We present a first-principles study of the low-temperature rhombohedral phase of BaTiO using Hubbard-corrected density-functional theory. By employing density-functional pertur…
Unraveling the effects of inter-site Hubbard interactions in spinel Li-ion cathode materials
Iurii Timrov, Michele Kotiuga, Nicola Marzari
Accurate first-principles predictions of the structural, electronic, magnetic, and electrochemical properties of cathode materials can be key in the design of novel efficient Li-io…