Abinitiopseudopotential study of Fe, Co, and Ni employing the spin-polarized LAPW approach
نویسندگان
چکیده
منابع مشابه
Ab initio pseudopotential study of Fe, Co, and Ni employing the spin-polarized LAPW approach.
The ground-state properties of Fe, Co, and Ni are studied with the linearaugmented-plane-wave (LAPW) method and norm-conserving pseudopotentials. The calculated lattice constant, bulk modulus, and magnetic moment with both the local-spin-density approximation (LSDA) and the generalized gradient approximation (GGA) are in good agreement with those of all-electron calculations, respectively. The ...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1996
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.53.10685