First-principles simulation of an ordered sigma phase of the Fe-Cr system in the ferromagnetic state

Physics of Metals and Metallography

Volumn 108, Issue 5, 2009, Pages 435-440

  Kabliman, E A ^a   Mirzoev, A A ^b   Udovskii, A L ^c  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

^b SOUTH URAL STATE UNIVERSITY   (Russian Federation)

^c BAIKOV INSTITUTE OF METALLURGY AND MATERIALS SCIENCE   (Russian Federation)

Author keywords

Fe Cr alloy; Ferromagnetism; First principles simulation

Indexed keywords

ATOMIC MAGNETIC MOMENT; ENERGIES OF FORMATION; EQUILIBRIUM STATE; EXCHANGE-CORRELATION POTENTIAL; EXPERIMENTAL DATA; FE-CR ALLOY; FE-CR SYSTEM; FECR ALLOYS; FERROMAGNETIC STATE; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES SIMULATIONS; GENERALIZED GRADIENT APPROXIMATIONS; NONMAGNETIC STATE; ORDERED CONFIGURATION; PROGRAM CODE; PURE COMPONENTS; SIGMA PHASE; SPACE GROUPS; STABLE CONFIGURATION; THERMODYNAMICALLY STABLE;

ATOMS; CHROMIUM; CHROMIUM ALLOYS; FERROMAGNETIC MATERIALS; FERROMAGNETISM; MAGNETIC MOMENTS; SINGLE CRYSTALS;

IRON ALLOYS;

EID: 74849087588     PISSN: 0031918X     EISSN: None     Source Type: Journal    
DOI: 10.1134/S0031918X09110027     Document Type: Article

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