Abstract
The effect of interband mixing on the actual form of the exchange interaction J(k,k′) between a local moment and conduction electrons in a metal, and in turn on the induced conduction-electron spin density polarization, is investigated. Results of detailed calculations are reported which employ a realistic local moment (Hartree-Fock Gd3+ ion) and orthogonalized plane waves for the conduction electrons. As is well known, interband mixing induces a net negative conduction-electron spin moment, reducing and even reversing the positive moment induced by electrostatic exchange in the s-d or s-f interaction model. The main peak of the interband spin distribution is very diffuse, and the phase of the associated Friedel oscillations is shifted outwards. For the case of rare-earth interband mixing, these oscillations serve to enhance those already due to electrostatic exchange. In other words, while it is often assumed that the amplitude of the s-f Friedel oscillations faithfully reflects the net induced spin, this is not the case if s-f interband mixing occurs.
| Original language | English |
|---|---|
| Pages (from-to) | 625-630 |
| Number of pages | 6 |
| Journal | Physical Review |
| Volume | 186 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 1969 |
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Role of interband mixing in exchange coupling and conduction-electron polarization in metals. / Watson, R. E.; Freeman, Arthur J; Koide, S.
In: Physical Review, Vol. 186, No. 3, 1969, p. 625-630.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Role of interband mixing in exchange coupling and conduction-electron polarization in metals
AU - Watson, R. E.
AU - Freeman, Arthur J
AU - Koide, S.
PY - 1969
Y1 - 1969
N2 - The effect of interband mixing on the actual form of the exchange interaction J(k,k′) between a local moment and conduction electrons in a metal, and in turn on the induced conduction-electron spin density polarization, is investigated. Results of detailed calculations are reported which employ a realistic local moment (Hartree-Fock Gd3+ ion) and orthogonalized plane waves for the conduction electrons. As is well known, interband mixing induces a net negative conduction-electron spin moment, reducing and even reversing the positive moment induced by electrostatic exchange in the s-d or s-f interaction model. The main peak of the interband spin distribution is very diffuse, and the phase of the associated Friedel oscillations is shifted outwards. For the case of rare-earth interband mixing, these oscillations serve to enhance those already due to electrostatic exchange. In other words, while it is often assumed that the amplitude of the s-f Friedel oscillations faithfully reflects the net induced spin, this is not the case if s-f interband mixing occurs.
AB - The effect of interband mixing on the actual form of the exchange interaction J(k,k′) between a local moment and conduction electrons in a metal, and in turn on the induced conduction-electron spin density polarization, is investigated. Results of detailed calculations are reported which employ a realistic local moment (Hartree-Fock Gd3+ ion) and orthogonalized plane waves for the conduction electrons. As is well known, interband mixing induces a net negative conduction-electron spin moment, reducing and even reversing the positive moment induced by electrostatic exchange in the s-d or s-f interaction model. The main peak of the interband spin distribution is very diffuse, and the phase of the associated Friedel oscillations is shifted outwards. For the case of rare-earth interband mixing, these oscillations serve to enhance those already due to electrostatic exchange. In other words, while it is often assumed that the amplitude of the s-f Friedel oscillations faithfully reflects the net induced spin, this is not the case if s-f interband mixing occurs.
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U2 - 10.1103/PhysRev.186.625
DO - 10.1103/PhysRev.186.625
M3 - Article
AN - SCOPUS:0242585197
VL - 186
SP - 625
EP - 630
JO - Physical Review
JF - Physical Review
SN - 0031-899X
IS - 3
ER -