Abstract
We have calculated the magnetic moment of Fe as a function of the number of nearest V and Cr atoms. We find that the Fe magnetic moment disappears in a neighborhood of exclusively V atoms, but remains larger than 1.85 mu(B) in a Cr neighborhood. This behavior, which is in excellent agreement with experiment, is a result of the pseudogap formed in the bce state density.
Original language | English |
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Journal | Physical Review B |
Volume | 55 |
Issue number | 1 |
Pages (from-to) | 67-69 |
ISSN | 2469-9950 |
DOIs | |
Publication status | Published - 1997 |
Bibliographical note
Copyright (1997) American Physical Society.Keywords
- ELECTRONIC-STRUCTURE
- ORBITALS
- DENSITY
- IMPURITIES