@inproceedings{8d0d7c298e6343088fb8cc0bbedb64eb,
title = "On the bonding nature of electron states for the Fe-Mo double perovskite",
abstract = "The electronic transport as well as the effect of an external magnetic field has been investigated on manganese-based materials, spinels and perovskites. Potential applications of double perovskites go from magnetic sensors to electrodes in solid-oxide fuel cells; besides the practical interests, it is known that small changes in composition modify radically the physical properties of double perovskites. We have studied the Sr2FeMoO6 double perovskite compound (SFMO) using first-principles density functional theory. The calculations were done within the generalized gradient approximation (GGA) scheme with the Perdew-Burke-Ernzerhof (PBE) functional. We have made a detailed analysis of each electronic state and the charge density maps around the Fermi level. For the electronic properties of SFMO it was used a primitive cell, for which we found the characteristic half-metallic behavior density of states composed by eg and t2g electrons from Fe and Mo atoms. Those peaks were tagged as bonding or antibonding around the Fermi level at both, valence and conduction bands.",
keywords = "Colossal magnetoresistance, Double perovskites, Ferromagnetism",
author = "E. Carvajal and R. Oviedo-Roa and M. Cruz-Irisson and O. Navarro",
year = "2014",
doi = "10.1063/1.4878269",
language = "Ingl{\'e}s",
isbn = "9780735412323",
series = "AIP Conference Proceedings",
publisher = "American Institute of Physics Inc.",
pages = "18--21",
booktitle = "7th International Conference on Low Dimensional Structures and Devices, LDSD 2011",
note = "7th International Conference on Low Dimensional Structures and Devices, LDSD 2011 ; Conference date: 22-05-2011 Through 27-05-2011",
}