First-principles calculation of the magnetic properties of paramagnetic fcc iron

Conference · Tue Jan 01 00:00:00 EST 1985

OSTI ID:5455963

Johnson, D D; Gyorffy, B L; Pinski, F J; Staunton, J; Stocks, G M

Using the disordered local moment picture of itinerant magnetism, we present calculations of the temperature and volume dependence of the magnetic moment and spin-spin correlations for fcc Fe in the paramagnetic state. These calculations are based on the parameter-free, first principles approach of local spin density functional theory and the coherent potential approximation is used to treat the disorder associated with the random orientation of the local moments.

• Research Organization: Oak Ridge National Lab., TN (USA); Bristol Univ. (UK). H.H. Wills Physics Lab.; Cincinnati Univ., OH (USA). Dept. of Physics; Warwick Univ., Coventry (UK). Dept. of Physics
• DOE Contract Number: AC05-84OR21400
• OSTI ID: 5455963
• Report Number(s): CONF-850890-15; ON: DE85017155
• Resource Relation: Conference: International conference on magnetism, San Francisco, CA, USA, 26 Aug 1985
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
IRON
MAGNETIC PROPERTIES
PARAMAGNETISM
FCC LATTICES
MAGNETIC MOMENTS
ORDER-DISORDER TRANSFORMATIONS
SPIN ORIENTATION
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ELEMENTS
MAGNETISM
METALS
ORIENTATION
PHASE TRANSFORMATIONS
PHYSICAL PROPERTIES
TRANSITION ELEMENTS
360104* - Metals & Alloys- Physical Properties