First principles investigation of the electronic structure of La2MnNiO6: A room-temperature insulating ferromagnet

Details First principles investigation of the electronic structure of La2MnNiO6: A room-temperature insulating ferromagnet First principles investigation of the electronic structure of La2MnNiO6: A room-temperature insulating ferromagnet

2005-09-16

arxiv.org/abs/cond-mat/0509431v1

J. Magn. Magn. Mater. 308, 116-119 (2007)

Physics

Condensed Matter

Strongly Correlated Electrons

10 pages, 3 figures

Scientific paper

10.1016/j.jmmm.2006.05.029

Using first principles calculations within DFT based on the full potential APW+lo method, we calculated the electronic and magnetic structures for the ferromagnetic and antiferromagnetic states of La2MnNiO6 and analyzed the site projected density of states and electronic band structures. Our calculations show that the ground state of La2MnNiO6 is ferromagnetic insulating with the magnetization in agreement with Hund's first rule and experimental findings.

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