Stability, Magnetism and Hardness of Iron Carbides from First-Principles Calculations
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DOI: 10.1007/s10948-017-4213-3
Abstract: The stability, electronic structure, magnetism and hardness of iron carbides in eight different space groups were investigated by the first-principles calculations. The electron-ion interactions were modelled using the Vanderbilt ultra-soft pseudopotentials (USPP) and norm-conserving pseudopotentials… read more here.
Keywords: iron carbides; magnetism hardness; iron; hardness iron ... See more keywords