### Abstract

Analyses of Knight shifts (K) in transition metals commonly assume that the s and d bands are distinguishable at the Fermi energy (i.e., small s-d hybridization). The three major contributions to K are attributed to unpaired s electrons (K_{s}), unpaired d spins (K_{d}) and orbital angular momentum (K_{orb}) each arising from counterpart terms in the susceptibility, χ. This partitioning (valid for weak spin-orbit interactions) allows one to relate the s and d contributions to χ to the corresponding densities N_{s}(E_{F}) and N_{d}(E _{F}). One further assumes that N_{s}(E) varies much more slowly than N_{d}(E) so that the d-spin susceptibility is the only temperature-dependent term. The free-electron description is then used to calculate K_{s}. We report here investigations of contributions to Knight shifts (and relaxation rates) using ab initio SRAPW band calculations, the combined interpolation scheme and the QUAD scheme. Strong s-d hybridization is found to cause substantial structure in the projected N_{s}(E) for fcc Ni, Pd and Pt, as was found earlier for Fe. This structure can cause K _{s} to be temperature dependent [if E_{F} falls at a peak in N_{s}(E)] and can affect strongly the Van Vleck susceptibility and hence K_{orb}. The structure effect is found to be very weak in the metals mentioned but preliminary results for hcp Sc (and possibly Gd) and bcc Cr and V indicate that larger effects may be expected.

Original language | English |
---|---|

Pages (from-to) | 1228 |

Number of pages | 1 |

Journal | Journal of Applied Physics |

Volume | 41 |

Issue number | 3 |

DOIs | |

Publication status | Published - 1970 |

### ASJC Scopus subject areas

- Physics and Astronomy (miscellaneous)

## Fingerprint Dive into the research topics of 'Knight shifts in transition metals'. Together they form a unique fingerprint.

## Cite this

*Journal of Applied Physics*,

*41*(3), 1228. https://doi.org/10.1063/1.1658884