Understanding the Unique Structural and Electronic Properties of SrFeO2

Details Understanding the Unique Structural and Electronic Properties of SrFeO2 Understanding the Unique Structural and Electronic Properties of SrFeO2

2008-04-03

arxiv.org/abs/0804.0495v1

Phys. Rev. B 78, 115101 (2008)

Physics

Condensed Matter

Materials Science

4 pages with 3 figures embedded. More information at http://www.icmab.es/dmmis/leem/jorge

Scientific paper

10.1103/PhysRevB.78.115101

We report a first-principles study of SrFeO$_2$, an infinite-layer oxide with Fe atoms in a perfect square-planar coordination down to essentially 0 K. Our results reveal this striking behavior relies on the double occupation of the 3$d_{z^2}$ orbitals of high-spin Fe$^{2+}$. Such an electronic state results from the hybridization of iron's 3$d_{z^2}$ and 4$s$ orbitals, which enables a large reduction of the intra-atomic exchange splitting of the $z^2$ electrons. The generality of the phenomenon is discussed.

Affiliated with

Also associated with

No associations

Rating

Understanding the Unique Structural and Electronic Properties of SrFeO2 does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Understanding the Unique Structural and Electronic Properties of SrFeO2, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Understanding the Unique Structural and Electronic Properties of SrFeO2 will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-352200