TY  - JOUR
AU  - Sasioglu, E.
AU  - Friedrich, C.
AU  - Blügel, S.
TI  - Effective Coulomb interaction in transition metals from constrained random-phase approximation
JO  - Physical review / B
VL  - 83
IS  - 12
SN  - 1098-0121
CY  - College Park, Md.
PB  - APS
M1  - PreJuSER-14821
SP  - 121101
PY  - 2011
N1  - Fruitful discussions with F. Freimuth, A. Schindlmayr, T. Miyake, F. Aryasetiawan, and R. Sakuma are gratefully acknowledged. This work has been supported in part by the DFG through the Research Unit FOR-1346.
AB  - The effective on-site Coulomb interaction (Hubbard U) between localized d electrons in 3d, 4d, and 5d transition metals is calculated employing a parameter-free realization of the constrained random-phase approximation using Wannier functions within the full-potential linearized augmented-plane-wave method. The U values lie between 1.5 and 5.7 eV and depend on the crystal structure, spin polarization, d electron number, and d orbital filling. On the basis of the calculated U parameters, we discuss the strength of the electronic correlations and the instability of the paramagnetic state toward the ferromagnetic one for 3d metals.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000288784900001
DO  - DOI:10.1103/PhysRevB.83.121101
UR  - https://juser.fz-juelich.de/record/14821
ER  -