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Symmetry consideration and eg bands in NdNiO3 and YNiO3

Susumu Yamamoto·Takeo Fujiwara
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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 P_ba in NdNiO3 case and P_b2_1/a in YNiO3 case, respectively.

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Susumu Yamamoto, Takeo Fujiwara. 2001-10-20. Symmetry consideration and eg bands in NdNiO3 and YNiO3. https://doi.org/10.1016/s0022-3697(02)00085-9

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