Theory of antiferromagnetic ordering in Pt<sub>3</sub>Fe alloys. I. Self-consistent band-structure calculation
N I Kulikov; E T Kulatov; S I Yakhimovich; N I Kulikov; Inst. of High Pressure Phys., Acad. of Sci., Troitsk, USSR; E T Kulatov; Inst. of High Pressure Phys., Acad. of Sci., Troitsk, USSR; S I Yakhimovich; Inst. of High Pressure Phys., Acad. of Sci., Troitsk, USSR
Журнал:
Journal of Physics F: Metal Physics
Дата:
1985-05-01
Аннотация:
The band structure of the paramagnetic phase of the stoichiometric intermetallic compound Pt<sub>3</sub>Fe was calculated self-consistently using the linearised hybridised KKR scheme in the framework of the local density approximation of the exchange-correlation potential. The results of the band-structure calculations are discussed in connection with the unusual antiferromagnetic ordering in this compound near stoichiometric composition. Nesting-type features are found at the Fermi surface of the paramagnetic phase. The calculation of the static susceptibility function chi (q) demonstrates the existence of peaks for the q vectors corresponding to antiferromagnetic structures.
628.2Кб