### Abstract

The role of matrix elements in the calculation of the generalized susceptibilities χ(q→) of metals is discussed using the results of an augmented-plane-wave energy-band calculation for the eigenvalues and eigenfunctions of Sc metal. The inclusion of the oscillator strength matrix elements is found to significantly alter the structure obtained for χ(q→) in the constant-matrix-element approximation. The effect of local-field corrections on the phonon anomaly in Sc and the observed magnetic ordering of dilute rare-earth Sc alloys are described; in the latter case, a crude estimate of this effect is found to restore a (broad) peak in χ(q→) at q→[0,0,0.5(πc)], in good agreement with experiment.

Original language | English |
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Pages (from-to) | 4376-4386 |

Number of pages | 11 |

Journal | Physical Review B |

Volume | 13 |

Issue number | 10 |

DOIs | |

Publication status | Published - 1976 |

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### ASJC Scopus subject areas

- Condensed Matter Physics

### Cite this

*Physical Review B*,

*13*(10), 4376-4386. https://doi.org/10.1103/PhysRevB.13.4376

**Role of matrix elements in the theoretical determination of generalized susceptibilities in metals.** / Gupta, Raju P.; Freeman, Arthur J.

Research output: Contribution to journal › Article

*Physical Review B*, vol. 13, no. 10, pp. 4376-4386. https://doi.org/10.1103/PhysRevB.13.4376

}

TY - JOUR

T1 - Role of matrix elements in the theoretical determination of generalized susceptibilities in metals

AU - Gupta, Raju P.

AU - Freeman, Arthur J

PY - 1976

Y1 - 1976

N2 - The role of matrix elements in the calculation of the generalized susceptibilities χ(q→) of metals is discussed using the results of an augmented-plane-wave energy-band calculation for the eigenvalues and eigenfunctions of Sc metal. The inclusion of the oscillator strength matrix elements is found to significantly alter the structure obtained for χ(q→) in the constant-matrix-element approximation. The effect of local-field corrections on the phonon anomaly in Sc and the observed magnetic ordering of dilute rare-earth Sc alloys are described; in the latter case, a crude estimate of this effect is found to restore a (broad) peak in χ(q→) at q→[0,0,0.5(πc)], in good agreement with experiment.

AB - The role of matrix elements in the calculation of the generalized susceptibilities χ(q→) of metals is discussed using the results of an augmented-plane-wave energy-band calculation for the eigenvalues and eigenfunctions of Sc metal. The inclusion of the oscillator strength matrix elements is found to significantly alter the structure obtained for χ(q→) in the constant-matrix-element approximation. The effect of local-field corrections on the phonon anomaly in Sc and the observed magnetic ordering of dilute rare-earth Sc alloys are described; in the latter case, a crude estimate of this effect is found to restore a (broad) peak in χ(q→) at q→[0,0,0.5(πc)], in good agreement with experiment.

UR - http://www.scopus.com/inward/record.url?scp=4243483541&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=4243483541&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.13.4376

DO - 10.1103/PhysRevB.13.4376

M3 - Article

AN - SCOPUS:4243483541

VL - 13

SP - 4376

EP - 4386

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 10

ER -