HIGHLIGHTS
- who: Stephan Schönecker from the Royal Institute University, Box, SE-75120, Uppsala, Sweden have published the research work: Thermal surface free energy and stress of iron, in the Journal: Scientific Reports Scientific Reports
SUMMARY
The authors rely on the adiabatic approximation shown to be applicable to Fe29,30 and model the individual vibrational, electronic, and magnetic excitations to the free_energy, F=E0 + Fvib + Fel + Fmag. The vibrational free_energy contribution (Fvib) and the bulk thermal expansion were derived within the quasiharmonic approximation (QHA)31 in the ferromagnetically ordered state using a gradient-corrected . . .
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