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Volumn 71, Issue 11, 2005, Pages

Spin-orbit coupling with ultrasoft pseudopotentials: Application to Au and Pt

Author keywords

[No Author keywords available]

Indexed keywords

GOLD; PLATINUM;

EID: 20044389545     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.115106     Document Type: Article
Times cited : (282)

References (41)
  • 1
    • 0038218089 scopus 로고
    • Washington, D.C.
    • P. Pyykkö, Chem. Rev. (Washington, D.C.) 88, 563 (1988).
    • (1988) Chem. Rev. , vol.88 , pp. 563
    • Pyykkö, P.1
  • 21
    • 20044363437 scopus 로고    scopus 로고
    • unpublished
    • A generalization of the noncollinear approach of Ref. 17 to USPPs can be done following the same lines of Ref. 19; A. Dal Corso (unpublished).
    • Dal Corso, A.1
  • 26
    • 0001172587 scopus 로고    scopus 로고
    • Spin-dependent PPs for magnetic materials have been proposed; see, for instance, S. C. Watson and E. A. Carter, Phys. Rev. B 58, R13 309 (1998).
    • (1998) Phys. Rev. B , vol.58
    • Watson, S.C.1    Carter, E.A.2
  • 30
    • 20044378276 scopus 로고    scopus 로고
    • note
    • loc=2.7. Two values of the core radii indicate a channel which was pseudized with the US scheme. In such case, the first value is the norm conserving core radius and the second is the ultra-soft one. The same core radii were taken for the j=l+1/2 and j=l-1/2 channels when not explicitly indicated. The same radii were used also for the SR PPs.


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