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- W1486615572 abstract "The structural and electronic properties of carbon impurities in MgB2 are investigated by first-principles total-energy calculations. We find that high concentration of C impurities could be incorporated in MgB2 due to their low-formation energies. Substitutional C impurities have lower formation energies than interstitial C. Thus, the majority of C impurities in MgB2 should be substitutional, which results in a lattice parameter decrease in the a-b plane. C impurities are found to reduce the density of states of MgB2 around the Fermi energy, and therefore, may cause a decrease in critical temperature Tc." @default.
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- W1486615572 date "2002-12-15" @default.
- W1486615572 modified "2023-09-26" @default.
- W1486615572 title "Carbon impurities in MgB2" @default.
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- W1486615572 doi "https://doi.org/10.1063/1.1524011" @default.
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