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首页> 外文期刊>International Journal of Quantum Chemistry >Electronic structure and magnetic properties of Ce5CuPb3
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Electronic structure and magnetic properties of Ce5CuPb3

机译:Ce5CuPb3的电子结构和磁性

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We report on the magnetic and electronic transport properties and as well band electronic structure of the Ce5CuPb3 intermetallic compound, crystallizing in the hexagonal Hf5CuSn3-type structure. The magnetic and XPS data indicate localized character of the 4f-electrons. Ce5CuPb3 is shown to be a magnet with double transitions below T-C1, = 46 K and T-C2 = 5 K. Despite being magnetic the compound is found to have a strongly enhanced electronic specific heat (about 50mJ/mol Ce K-2). The electronic band Structure calculations based on TB-LMTO and FP-LAPW confirm the magnetic,round state. From the theoretical data we would expect that the Ce1 and Ce2 atoms located at the 4d and 6g, respectively, give distinct contributions to the density of states at the Fermi level. (C) 2007 Elsevier Inc. All rights reserved.
机译:我们报告了Ce5CuPb3金属间化合物的磁性和电子输运性质以及能带电子结构,这些晶体在六方Hf5CuSn3型结构中结晶。磁性和XPS数据表明4f电子的局部特征。 Ce5CuPb3被证明是一种磁体,在T-C1,= 46 K和T-C2 = 5 K以下具有双重跃迁。尽管该化合物是磁性的,但发现它的电子比热却大大提高了(约50mJ / mol Ce K-2 )。基于TB-LMTO和FP-LAPW的电子带结构计算确定了磁性,圆形状态。从理论数据来看,我们预计分别位于4d和6g处的Ce1和Ce2原子对费米能级的态密度具有明显的贡献。 (C)2007 Elsevier Inc.保留所有权利。

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