Exceptionally large room-temperature ferroelectric polarization in the novel PbNiO3 multiferroic oxide

X. F. Hao, A. Stroppa, S. Picozzi +2

We present a study based on several advanced First-Principles methods, of the recently synthesized PbNiO3 [J. Am. Chem. Soc 133, 16920 (2011)], a rhombohedral antiferromagnetic ins…