Fermi-surface pockets in $YBa 2Cu 3O {6.5}$ : A comparison of ab initio techniques - Condensed Matter > SuperconductivityReportar como inadecuado




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Abstract: We study the Fermi surface of metallic, non-magnetic \textit{ortho}-IIYBa$ 2$Cu$ 3$O$ {6.5}$ using three different density-functional-basedband-structure techniques GGA, GGA+U, PSIC. The calculated Fermi surfaceexhibits no pockets in GGA+U and PSIC, a minor one in GGA. Upon shifting theFermi level in the vicinity of the calculated value, we instead observe severalpocket structures. We calculate their cross-sectional areas and cyclotronmasses. Overall, our calculations show no solid evidence of the existence ofelectron-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.



Autor: Danilo Puggioni, Alessio Filippetti, Vincenzo Fiorentini

Fuente: https://arxiv.org/







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