Neutron magnetic form factors and X-ray atomic scattering factors for rare-earth ions

M. Blume, Arthur J Freeman, R. E. Watson

Research output: Contribution to journalArticle

174 Citations (Scopus)

Abstract

The theory of neutron scattering by paramagnetic rare-earth ions has been given by Trammell and more recently by Odiot and Saint-James. Unlike the case for the iron-series transition metals, for which the orbital angular momentum of the 3d electrons is almost completely quenched, the magnetic scattering of neutrons from the rare earths (except for gadolinium and europium) arises from both the spin and orbital contributions to the magnetization. Using recently determined Hartree-Fock wave functions for some of the trivalent rare-earth ions we have determined the functions (jn) and (gn) (for n = 0, 2, 4, and 6) which are necessary for the theoretical evaluation of the spin and orbital contributions, respectively, to the magnetic form factor. A comparison of these theoretical results with the experiments of Koehler and Wollan for Nd3+ and Er3+ and of Koehler, Wollan, and Wilkinson for Ho3+ is presented. Large differences are found between TrammelFs theory and experiment and some possible reasons for this are discussed. X-ray atomic scattering factors for these ions are also given and found to agree very closely with the results of the ThomasFermi-Dirac statistical method.

Original languageEnglish
Pages (from-to)1245-1253
Number of pages9
JournalJournal of Chemical Physics
Volume37
Issue number6
Publication statusPublished - 1962

Fingerprint

Factor X
Lattice vibrations
Rare earths
form factors
Neutrons
rare earth elements
Ions
neutrons
X rays
orbitals
scattering
Europium
ions
x rays
Angular momentum
Gadolinium
gadolinium
europium
Wave functions
Neutron scattering

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Neutron magnetic form factors and X-ray atomic scattering factors for rare-earth ions. / Blume, M.; Freeman, Arthur J; Watson, R. E.

In: Journal of Chemical Physics, Vol. 37, No. 6, 1962, p. 1245-1253.

Research output: Contribution to journalArticle

@article{a5e55f07d0e34636935f6f180e60d381,
title = "Neutron magnetic form factors and X-ray atomic scattering factors for rare-earth ions",
abstract = "The theory of neutron scattering by paramagnetic rare-earth ions has been given by Trammell and more recently by Odiot and Saint-James. Unlike the case for the iron-series transition metals, for which the orbital angular momentum of the 3d electrons is almost completely quenched, the magnetic scattering of neutrons from the rare earths (except for gadolinium and europium) arises from both the spin and orbital contributions to the magnetization. Using recently determined Hartree-Fock wave functions for some of the trivalent rare-earth ions we have determined the functions (jn) and (gn) (for n = 0, 2, 4, and 6) which are necessary for the theoretical evaluation of the spin and orbital contributions, respectively, to the magnetic form factor. A comparison of these theoretical results with the experiments of Koehler and Wollan for Nd3+ and Er3+ and of Koehler, Wollan, and Wilkinson for Ho3+ is presented. Large differences are found between TrammelFs theory and experiment and some possible reasons for this are discussed. X-ray atomic scattering factors for these ions are also given and found to agree very closely with the results of the ThomasFermi-Dirac statistical method.",
author = "M. Blume and Freeman, {Arthur J} and Watson, {R. E.}",
year = "1962",
language = "English",
volume = "37",
pages = "1245--1253",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "6",

}

TY - JOUR

T1 - Neutron magnetic form factors and X-ray atomic scattering factors for rare-earth ions

AU - Blume, M.

AU - Freeman, Arthur J

AU - Watson, R. E.

PY - 1962

Y1 - 1962

N2 - The theory of neutron scattering by paramagnetic rare-earth ions has been given by Trammell and more recently by Odiot and Saint-James. Unlike the case for the iron-series transition metals, for which the orbital angular momentum of the 3d electrons is almost completely quenched, the magnetic scattering of neutrons from the rare earths (except for gadolinium and europium) arises from both the spin and orbital contributions to the magnetization. Using recently determined Hartree-Fock wave functions for some of the trivalent rare-earth ions we have determined the functions (jn) and (gn) (for n = 0, 2, 4, and 6) which are necessary for the theoretical evaluation of the spin and orbital contributions, respectively, to the magnetic form factor. A comparison of these theoretical results with the experiments of Koehler and Wollan for Nd3+ and Er3+ and of Koehler, Wollan, and Wilkinson for Ho3+ is presented. Large differences are found between TrammelFs theory and experiment and some possible reasons for this are discussed. X-ray atomic scattering factors for these ions are also given and found to agree very closely with the results of the ThomasFermi-Dirac statistical method.

AB - The theory of neutron scattering by paramagnetic rare-earth ions has been given by Trammell and more recently by Odiot and Saint-James. Unlike the case for the iron-series transition metals, for which the orbital angular momentum of the 3d electrons is almost completely quenched, the magnetic scattering of neutrons from the rare earths (except for gadolinium and europium) arises from both the spin and orbital contributions to the magnetization. Using recently determined Hartree-Fock wave functions for some of the trivalent rare-earth ions we have determined the functions (jn) and (gn) (for n = 0, 2, 4, and 6) which are necessary for the theoretical evaluation of the spin and orbital contributions, respectively, to the magnetic form factor. A comparison of these theoretical results with the experiments of Koehler and Wollan for Nd3+ and Er3+ and of Koehler, Wollan, and Wilkinson for Ho3+ is presented. Large differences are found between TrammelFs theory and experiment and some possible reasons for this are discussed. X-ray atomic scattering factors for these ions are also given and found to agree very closely with the results of the ThomasFermi-Dirac statistical method.

UR - http://www.scopus.com/inward/record.url?scp=11644284330&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=11644284330&partnerID=8YFLogxK

M3 - Article

VL - 37

SP - 1245

EP - 1253

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 6

ER -