Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions

By Fritz Körmann, A. Dick, Blazej Grabowski, B. Hallstedt, Tilmann Hickel, Jörg Neugebauer. 2008

149 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics, Geophysics

View Paper: https://www.semanticscholar.org/paper/3f58924835be31b85ff9cd54573246b61f122a20

Citations in the corpus

• Density-Functional Perturbation Theory for Quasi-Harmonic Calculations (2011, unknown): “The temperature dependence of the calculated constant-pressure heat capacity deviates from experiment at room temperature, but a proper inclusion of magnetic effects dramatically improves the agreement up to the Curie temperature (Körmann et al. 2008).”