Electronic properties of the A-15 Nb-based intermetallics Nb_3(Os,Ir,Pt,Au)

C. Paduani

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Electronic properties of the A-15 Nb-based intermetallics Nb_3(Os,Ir,Pt,Au)

机译：A-15 Nb基金属间化合物Nb_3（Os，Ir，Pt，Au）的电子性质

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In this work fully relativistic full-potential linearized augmented-plane-wave (FP-LAPW) calculations were performed with generalized gradient corrections to investigate the structural and electronic properties of the Cr_3Si-type (A-15) Nb-based intermetallic compounds Nb_3(Os, Ir, Pt, Au). From the calculated densities of states at the Fermi level and available experimental data for the electron-phonon coupling constant, which correspond to the so-called weak and intermediate coupling strengths in this case, we derived empirical values for the electronic specific heat coefficients of these compounds. An increasing tendency for localization of d states was observed from Nb_3Os to Nb_3Au.

机译：在这项工作中，通过广义梯度校正进行了完全相对论的全势线性化增强平面波（FP-LAPW）计算，以研究Cr_3Si型（A-15）Nb基金属间化合物Nb_3（ Os，Ir，Pt，Au）。根据费米能级的计算态密度和电子-声子耦合常数的可用实验数据（在这种情况下，它们对应于所谓的弱耦合强度和中间耦合强度），我们得出了这些电子的比热系数的经验值。化合物。从Nb_3Os到Nb_3Au观察到d态的定位趋势增加。

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来源
《Solid State Communications》 |2007年第8期|352-356|共5页
作者
C. Paduani;
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作者单位

DF-UFSC, Florianopolis, CEP 88040-900, SC, Brazil;

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原文格式 PDF
正文语种 eng
中图分类固体物理学;
关键词
A. Niobium; A. Superconductors; A. Transition metals; D. Electronic structure;

机译：A.铌A.超导体;A.过渡金属;D.电子结构;

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Electronic properties of the A-15 Nb-based intermetallics Nb_3(Os,Ir,Pt,Au)

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