Thermal effects on lattice strain inε−Feunder pressure
نویسندگان
چکیده
منابع مشابه
Thermal effects on lattice strain in -Fe under pressure
We compute the c /a lattice strain versus temperature for nonmagnetic hcp iron at high pressures using both first-principles linear response quasiharmonic calculations based on the full potential linear-muffin-tin-orbital LMTO method and the particle-in-cell PIC model for the vibrational partition function using a tight-binding total-energy method. The tight-binding model shows excellent agreem...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2006
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.74.064103