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北美退伍军人节(Veterans Day),12 日无更新
arXiv 1007.3997cond-mat.str-elcond-mat.mtrl-sci
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强关联材料中的中子磁形状因子

Neutron magnetic form factor in strongly correlated materials

Maria Elisabetta Pezzoli, Kristjan Haule, Gabriel Kotliar

摘要:

介绍了一种在第一性原理密度泛函理论(DFT)+动力学平均场论(DMFT)下计算中子磁形状因子Fm(q)的方法.该方法对待自旋和轨道的相互作用在同一个立足点,并减少到早期的方法在完全本地化或完全巡回限制。我们测试的方法对目前感兴趣的各种锕系元素NpCoGa 5,PuSb和PuCoGa 5,我们表明,PuCoGa 5是在混合价态,这自然解释了测量的磁形状因子。

英文摘要:

We introduce a formalism to compute the neutron magnetic form factor Fm(q) within a first-principles Density Functional Theory (DFT) + Dynamical Mean Field Theory (DMFT). The approach treats spin and orbital interactions on the same footing and reduces to earlier methods in the fully localized or the fully itinerant limit. We test the method on various actinides of current interest NpCoGa5, PuSb and PuCoGa5; we show that PuCoGa5 is in mixed valent state, which naturally explains the measured magnetic form factor.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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