Fermi-surface pockets in $YBa_2Cu_3O_{6.5}$ : A comparison of ab initio techniques

Details Fermi-surface pockets in $YBa_2Cu_3O_{6.5}$ : A comparison of ab initio techniques Fermi-surface pockets in $YBa_2Cu_3O_{6.5}$ : A comparison of ab initio techniques

2009-01-28

arxiv.org/abs/0901.4427v1

Phys. Rev. B 79, 064519 (2009)

Physics

Condensed Matter

Superconductivity

7 pages, 5 figures, in print on PRB 79 (2009)

Scientific paper

10.1103/PhysRevB.79.064519

We study the Fermi surface of metallic, non-magnetic \textit{ortho}-II YBa$_2$Cu$_3$O$_{6.5}$ using three different density-functional-based band-structure techniques (GGA, GGA+U, PSIC). The calculated Fermi surface exhibits no pockets in GGA+U and PSIC, a minor one in GGA. Upon shifting the Fermi level in the vicinity of the calculated value, we instead observe several pocket structures. We calculate their cross-sectional areas and cyclotron masses. Overall, our calculations show no solid evidence of the existence of electron-like --nor, in fact, of any-- Fermi surface pockets in this phase. This suggests that the origin of the pockets should be sought for in other, different phases.

Affiliated with

Also associated with

No associations

Rating

Fermi-surface pockets in $YBa_2Cu_3O_{6.5}$ : A comparison of ab initio techniques 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 Fermi-surface pockets in $YBa_2Cu_3O_{6.5}$ : A comparison of ab initio techniques, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Fermi-surface pockets in $YBa_2Cu_3O_{6.5}$ : A comparison of ab initio techniques will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-344615