"Fraternal-twin" ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles

Michele Kotiuga, Karin M. Rabe

Reversible intercalation of hydrogen into samarium nickelate, SmNiO${}_3$ (SNO), has been of recent interest. Upon entering SNO, the hydrogen dissociates: the H${}^{+}$ binds to an oxyge…