ملخص
The occupation numbers and magnetic moments at central iron sites in BCC iron-phosphorous alloys represented by 15-atom clusters are calculated using the spin-polarized discrete variational method. It is found that the occupations of the spin-up Eg and the spin-down T2g 3d orbitals remain almost independent of the phosphorous content while electrons are transferred between their spin-down Eg and the spin-up T2g orbitals. The average magnetic moment is calculated and comparison to experimental data is made.
اللغة الأصلية | English |
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الصفحات (من إلى) | 251-256 |
عدد الصفحات | 6 |
دورية | Physica B: Physics of Condensed Matter |
مستوى الصوت | 173 |
رقم الإصدار | 3 |
المعرِّفات الرقمية للأشياء | |
حالة النشر | Published - سبتمبر 1991 |
ASJC Scopus subject areas
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