APPLICATION OF THE SOFT-CORE TYPE PSEUDOPOTENTIAL TO MAGNETIC SYSTEMS

Authors
SASAKI T RAPPE AM LOUIE SG
Citation
T. Sasaki et al., APPLICATION OF THE SOFT-CORE TYPE PSEUDOPOTENTIAL TO MAGNETIC SYSTEMS, Science Reports of the Research Institutes, Tohoku University, Series A: Physics, Chemistry, and Metallurgy, 39(1), 1993, pp. 37-38
Citations number
7
Categorie Soggetti
Material Science","Metallurgy & Mining
Journal title
Science Reports of the Research Institutes, Tohoku University, Series A: Physics, Chemistry, and Metallurgy → ACNP
ISSN journal
00408808
Volume
39
Issue
1
Year of publication
1993
Pages
37 - 38
Database
ISI
SICI code
0040-8808(1993)39:1<37:AOTSTP>2.0.ZU;2-C
Abstract
Structural and magnetic properties of ferromagnetic iron are computed using a plane-wave basis set and optimized pseudopotentials to study t he effectiveness of these methods for magnetic systems. Although the p seudowave functions deviate significantly from the all-electron wave f unctions, the calculated properties are in excellent agreement with th e results from all-electron and localized-orbital pseudopotential calc ulations. This study shows that these pseudopotentials yield accurate results for magnetic systems.