Radial integrals for the magnetic form factor of the 5d electrons of rare earth elements.

IF 1.8 4区材料科学

Acta Crystallographica Section A Pub Date : 2012-09-01 Epub Date: 2012-07-26 DOI:10.1107/S0108767312027614

Kohjiro Kobayashi, Tatsuya Nagao, Masahisa Ito

引用次数: 0

Abstract

The radial integrals , where L = 0, 2, 4, for several electronic configurations of the 5d electrons of rare earth elements are calculated using radial wavefunctions from the Hartree-Fock relativistic method in the Cowan program. Gaussian analytical expressions with four exponential terms are fitted to the values for rare earth elements and the fitted coefficients are tabulated. The tables can be used to interpret the form factor measurements for rare earth metals. Using the radial integrals of Ce 4f and 5d electrons, the experimental measurement of the magnetic form factor of CePd(3) is investigated.

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稀土元素5d电子磁性形状因子的径向积分。

利用Cowan程序中Hartree-Fock相对论方法的径向波函数，计算了稀土元素5d电子的几种电子构型在L = 0,2,4时的径向积分。用四指数项的高斯解析表达式拟合稀土元素的值，并将拟合系数制成表格。这些表可用于解释稀土金属的形状因子测量。利用ce4f和5d电子的径向积分，研究了CePd(3)磁性外形因子的实验测量。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section A 化学-晶体学

自引率

11.10%

发文量

审稿时长

3 months

期刊介绍： Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.