Ferromagnetism in hexagonal-close-packed elements

D. A. Papaconstantopoulos, J. L. Fry, and N. E. Brener

Phys. Rev. B 39, 2526 – Published 1 February 1989

ABSTRACT

The Stoner theory of ferromagnetism has been applied to 3d transition metals in the hexagonal-close-packed (hcp) phase. The elements Co and Ni (and possibly Cr) are found to be ferromagnetic. A self-consistent calculation of the band structure of paramagnetic hcp Ni revealed the highest-known density of states at the Fermi level of any transition metal in any structure, providing strong evidence for ferromagnetism. A first-principles, spin-polarized band-structure calculation for hcp Ni yielded a stable magnetic moment of 0.76${\mu }_B$ per atom and an average spin splitting of 0.1 Ry.

• Received 25 July 1988

DOI:https://doi.org/10.1103/PhysRevB.39.2526

©1989 American Physical Society

https://sci-hub.tw/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.39.2526