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Structural and thermal properties of Fe3Al, Fe3AlC and hypothetical Fe3AlX (X = H, B, N, O) compounds: Ab initio and quasi-harmonic Debye modelling

✍ Scribed by A. Kellou; J.M. Raulot; T. Grosdidier

No coin nor oath required. For personal study only.

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Structural and thermal properties of Fe3Al, Fe3AlC and hypothetical Fe3AlX (X&#xa0;=&#xa0;H, B, N, O) compounds: Ab initio and quasi-harmonic Debye modelling