The calculation of the effective interaction parameter in LDA+U method by linear response approach for Fe(OH)2

Details The calculation of the effective interaction parameter in LDA+U method by linear response approach for Fe(OH)2 The calculation of the effective interaction parameter in LDA+U method by linear response approach for Fe(OH)2

2008-12-22

arxiv.org/abs/0812.4116v1

Physics

Condensed Matter

Materials Science

Scientific paper

In this paper we have investigated the electronic properties of Fe(OH)2 hydroxide by using the LSDA+U as well as the generalized gradient approximation. Our calculations for the iron-hydroxide show that the LSDA results are greatly at variance with experimental findings. On the other hand we have shown that LSDA+U is capable of opening a gap at the Fermi level resulting in insulating ground state in agreement with experimental observations.

Affiliated with

Also associated with

No associations

Rating

The calculation of the effective interaction parameter in LDA+U method by linear response approach for Fe(OH)2 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 The calculation of the effective interaction parameter in LDA+U method by linear response approach for Fe(OH)2, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and The calculation of the effective interaction parameter in LDA+U method by linear response approach for Fe(OH)2 will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-538521