Pseudopotential calculation of the ground-state properties of ferromagnetic bcc iron
Publication
, Journal Article
Greenside, HS; Schlüter, MA
Published in: Physical Review B
January 1, 1983
We report the first use of parameter-free norm-conserving pseudopotentials for a strongly spin-polarized material, ferromagnetic bcc iron. Ground-state properties such as the equilibrium lattice constant, magnetic moment, and bulk modulus are calculated within the local-density-functional approximation and agree within a few percent with experiments. The deviations are, however, significantly larger than what is typically found for materials with s,p electrons. © 1983 The American Physical Society.
Duke Scholars
Published In
Physical Review B
DOI
ISSN
0163-1829
Publication Date
January 1, 1983
Volume
27
Issue
5
Start / End Page
3111 / 3114
Citation
APA
Chicago
ICMJE
MLA
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Greenside, H. S., & Schlüter, M. A. (1983). Pseudopotential calculation of the ground-state properties of ferromagnetic bcc iron. Physical Review B, 27(5), 3111–3114. https://doi.org/10.1103/PhysRevB.27.3111
Greenside, H. S., and M. A. Schlüter. “Pseudopotential calculation of the ground-state properties of ferromagnetic bcc iron.” Physical Review B 27, no. 5 (January 1, 1983): 3111–14. https://doi.org/10.1103/PhysRevB.27.3111.
Greenside HS, Schlüter MA. Pseudopotential calculation of the ground-state properties of ferromagnetic bcc iron. Physical Review B. 1983 Jan 1;27(5):3111–4.
Greenside, H. S., and M. A. Schlüter. “Pseudopotential calculation of the ground-state properties of ferromagnetic bcc iron.” Physical Review B, vol. 27, no. 5, Jan. 1983, pp. 3111–14. Scopus, doi:10.1103/PhysRevB.27.3111.
Greenside HS, Schlüter MA. Pseudopotential calculation of the ground-state properties of ferromagnetic bcc iron. Physical Review B. 1983 Jan 1;27(5):3111–3114.
Published In
Physical Review B
DOI
ISSN
0163-1829
Publication Date
January 1, 1983
Volume
27
Issue
5
Start / End Page
3111 / 3114