Browsing by Subject "Transition elements"
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Competition between the hcp nonmagnetic and antiferromagnetic phases in the transition path of Fe under pressure
(Elsevier, 2020)Density functional theory is applied to investigate the relative stability of Fe in different phases (bcc, fcc and hcp) for both the nonmagnetic (NM), ferromagnetic (FM) and anti-ferromagnetic (AFM) states as well as the ...