First principles investigation of the electronic structure of La2MnNiO6: A room-temperature insulating ferromagnet
Language
en
Article de revue
This item was published in
Journal of Magnetism and Magnetic Materials. 2007, vol. 308, p. 116-119
Elsevier
English Abstract
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 ...Read more >
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.Read less <
English Keywords
Ferromagnetism
DFT
Antiferromagnetism
Magnetic structure
Electronic structure
La2MnNiO6
Inorganic compounds
Origin
Hal imported