TY - JOUR
T1 - Electronic structure, field-induced magnetization density and neutron magnetic form factor of palladium
AU - Watson-Yang, T. J.
AU - Harmon, B. N.
AU - Freeman, A. J.
N1 - Funding Information:
\]i:c ::a~s~tior~ me~als ha~e been studied more ex- ~.:~;~,~> :i,~ ~,=~c uthe~ ~etat groups m the periodic tabIe. Their electronic structure and properties have beer, measured using a variety of experimental methods ~ hich yield both macroscopic information (e.g. magnetization, magnetic susceptibility and specific heat i ?.nd :vicroscopic reformation (e.g. de Haas-van ,Mphen, magnetoresistance, optical reflectivity, photoemission) which have been related directly to the electronic band s~ructure. By contrast, there are few experiments which yield direct information about the nature of wavefunctions in these metals. The determi-p,a:i~n ~f .~he neutron magnetic form factor in magnet-:tally ordered svsten:s which gives the Fourier tranb-",,r::-,,! ~be ,:~:~e>e+iza~ion densi+,x is perhaps ": one Supporr.ed b~ :he National Scier~ce t oundation, the US Air \[, >.'de Of~'ice c>f Scientific Research and the US Energy Research and Deve!opment Administration under Contract N<,s ',~-7405-eng-82 and W-3 t-109-eng-38.
PY - 1976
Y1 - 1976
N2 - The magnetic field induced magnetization density and neutron magnetic form factor of Pd metal is obtained from an ab initio APW energy band study of its electronic structure and properties. The magnetization consists of the spin density calculated for states on the Fermi surface and a much smaller orbital contribution. The solid state wavefunctions are found to yield a spatial localization of the spin density which is greater than that of the very contracted Hartree-Fock density of the free Pd2+ ion. The theretical magnetic form factor, which is dominated by the contribution of the fifth band, is found to be in excellent agreement with the measurements of Cable, Wollan, Felcher, Brun and Hornfeldt.
AB - The magnetic field induced magnetization density and neutron magnetic form factor of Pd metal is obtained from an ab initio APW energy band study of its electronic structure and properties. The magnetization consists of the spin density calculated for states on the Fermi surface and a much smaller orbital contribution. The solid state wavefunctions are found to yield a spatial localization of the spin density which is greater than that of the very contracted Hartree-Fock density of the free Pd2+ ion. The theretical magnetic form factor, which is dominated by the contribution of the fifth band, is found to be in excellent agreement with the measurements of Cable, Wollan, Felcher, Brun and Hornfeldt.
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U2 - 10.1016/0304-8853(76)90045-7
DO - 10.1016/0304-8853(76)90045-7
M3 - Article
AN - SCOPUS:49549133660
VL - 2
SP - 334
EP - 344
JO - Journal of Magnetism and Magnetic Materials
JF - Journal of Magnetism and Magnetic Materials
SN - 0304-8853
IS - 4
ER -