Electronic structure and properties of the Fermi surface of the superconductor LaOFeP
S. Lebègue
DOI 10.1103/PhysRevB.75.035110 · Physical Review B
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Abstract
The electronic structure of the superconducting material LaOFeP is investigated by means of ab initio calculations using density functional theory. The concept of two-dimensional building blocks as well as Bader analysis are used to obtain more insight about the charge transfer in this layered material. The band structure and the Fermi surface are presented in order to be compared with future experiments. It is found that the intralayer chemical bonding present a significant part of covalency, whereas the interlayer bonding is almost completely ionic. Also, four sheets of the Fermi surface have a significant two-dimensional character.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| LaOFeP Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 3.2 | Pressure not reported | unknown |
| La(O0.94F0.06)FeP Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
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