Electronic structure and Fermi surface of the superconductors LaNiBiO and LaCuBiO from first principles
I. R. Shein, V. L. Kozhevnikov, A. L. Ivanovskii
DOI 10.1103/PhysRevB.78.104519 · Physical Review B
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Abstract
Based on first-principle full-potential linearized augmented plane wave generalized gradient approximation calculations, we have investigated electronic structure of synthesized superconductors LaMBiO, where M=Ni or Cu as examples of bismuth-containing compounds in the family of superconducting quaternary oxypnictides. The band structure, density of states, and Fermi-surface features are discussed. Our results indicate that chemical bonding inside La-O and M-Bi layers is covalent while the interlayer binding is mostly ionic. The states of M-Bi layers are found to prevail at the Fermi level. The corresponding Fermi surfaces bear a two-dimensional character thus suggesting strongly anisotropic conduction mostly via M-Bi layers. On the whole, the oxybismuthides may be described as superconducting nonmagnetic ionic metals.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| LaFeAsO1-xFx Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 26 | Pressure not reported | unknown |
| La1-xSrxFeAsO Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 26 | Pressure not reported | unknown |
| LaFePO Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 3.2 | Pressure not reported | unknown |
| LaNiPO Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 3 | Pressure not reported | unknown |
| LaNiAsO Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 2.75 | Pressure not reported | unknown |
| LaNiBiO Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 4.2 | Pressure not reported | unknown |
| LaCuBiO Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 6 | Pressure not reported | unknown |
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