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

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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.
10 pages, 3 figures

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Strongly Correlated Electrons, Materials Science

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http://salesiana.dossiersoluciones.com/handle/123456789/99165

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0509431
 http://arxiv.org/abs/cond-mat/0509431
 J. Magn. Magn. Mater. 308, 116-119 (2007)
 doi:10.1016/j.jmmm.2006.05.029

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