Symmetry consideration and eg bands in NdNiO3 and YNiO3
Susumu Yamamoto, Takeo Fujiwara
Abstract
Group theoretical analyses are applied to the magnetic and electronic structures of NdNiO3 and YNiO3, whose electronic structures have been studied very recently by the LSDA+U method. The Jahn-Teller distortion cannot satisfy the experimentally observed magnetic diffraction. The resultant ground state magnetic stuructures are monoclinic Pba in NdNiO3 case and Pb21/a in YNiO3 case, respectively.
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