MATAR, Samir F.; SUBRAMANIAN, M. A.; EYERT, Volker; WHANGBO, Myung-Hwan; VILLESUZANNE, Antoine

doi:10.1016/j.jmmm.2006.05.029

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MATAR, Samir F.
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

SUBRAMANIAN, M. A.
Central Research & Development, Experimental Station

EYERT, Volker
Institut für Physik

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Journal of Magnetism and Magnetic Materials. 2007, vol. 308, p. 116-119

Elsevier

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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.< Leer menos

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Ferromagnetism

DFT

Antiferromagnetism

Magnetic structure

Electronic structure

La2MnNiO6

Inorganic compounds

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

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