Electronic and superconducting properties of oxygen-ordered MgB2 compounds of the form Mg2B3Ox
Juan C. Idrobo, Serdar Öğüt, Taner Yildirim, Robert F. Klie, Nigel D. Browning
DOI 10.1103/PhysRevB.70.172503 · Physical Review B
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Abstract
Possible candidates for the Mg2B3Ox nanostructures observed in bulk of polycrystalline MgB2 [Appl. Phys. Lett. 80, 3970 (2002)] have been studied using a combination of Z-contrast imaging, electron energy loss spectroscopy (EELS), and first-principles calculations. The electronic structures, phonon modes, and electron phonon coupling parameters are calculated for two oxygen-ordered MgB2 compounds of composition Mg2B3O and Mg2B3O2, and compared with those of MgB2. We find that the densities of states for both Mg2B3Ox structures show very good agreement with EELS, indicating that they are excellent candidates to explain the observed coherent oxygen precipitates. Incorporation of oxygen reduces the transition temperature and gives calculated TC values of 18.3 and 1.6 K for Mg2B3O and Mg2B3O2, respectively.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| MgB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 40 | Pressure not reported | unknown |
| Mg2B4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 40.73 | Pressure not reported | unknown |
| Mg2B3O Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 18.31 | Pressure not reported | unknown |
| Mg2B3O2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1.62 | Pressure not reported | unknown |
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