Electronic structure and magnetism of La4Ni3O8 from first principles.
Ting Liu, Guoren Zhang, Xiaoli Zhang, Ting Jia, Zhi Zeng, H Q Lin
Index: J. Phys. Condens. Matter 24(40) , 405502, (2012)
Full Text: HTML
Abstract
The magnetic and electronic properties of La(4)Ni(3)O(8) are investigated by performing the full-potential linearized augmented plane wave method. The C-type antiferromagnetic spin ordering is preferred and a molecular correlated insulating state with high-spin Ni ions is found. Our results have proved that this insulating state is caused by a correlation effect and the strong interlayer interaction. Such strong interlayer coupling results from the high-spin occupation of Ni ions.
Related Compounds
Related Articles:
2014-08-01
[Artif. Cells. Nanomed. Biotechnol. 42(4) , 237-44, (2014)]
2013-10-15
[Biosens. Bioelectron. 48 , 270-5, (2013)]
2015-01-01
[Anal. Sci. 31 , 773-80, (2015)]
2013-11-01
[J. Nanosci. Nanotechnol. 13(11) , 7685-8, (2013)]
2015-01-01
[J. Toxicol. Environ. Health A 78(3) , 185-95, (2014)]