A benchmark for some bulk properties of bcc iron

E Güler, M Güler


Some bulk properties of bcc iron were calculated. Structural and elastic properties such as cohesive energy, bulk modulus, typical elastic constants and vacancy formation energy were calculated for zero Kelvin temperature. All obtained results during the study were compared with the both previous experimental and theoretical results. Obtained results for the present study show well agreement with literature.

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DOI: http://dx.doi.org/10.1260/1750-9548.7.2.95

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