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Electromagnetic properties and electronic structure of iron-based layered superconductor LaOFeP

机译:铁基电磁性能及电子结构   分层超导体LaOFep

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摘要

Structural, electronic, and magnetic properties of undoped and aliovalent-ion(Ca, F)-doped LaOFeP, which undergo superconducting transitions at transitiontemperatures (Tc) 4-7 K [Kamihara et al, J. Am. Chem. Soc. 128, 10012, (2006)],were investigated. Tc of the samples varied from 2.4 to 5.5 K in the undopedsamples, and was increased up to ~7 K by Ca- and F-doping. The Tc increases arecorrelated with a decrease in the lattice volume. LaOFeP exhibits paramagnetismin the normal conducting state. Photoemission spectroscopy combined withfirst-principle band calculations clarified that Fe 3d (dz2 + (dxz, dyz))orbitals hybridized with P 3p to form a Fermi surface. The band calculationsalso suggest that the 3d electron of the Fe in LaOFeP is basically in thelow-spin configuration, and that the spin moment of LaOFeP is almost quenched,leading to the paramagnetism of the itinerant electrons.
机译:未掺杂的和掺杂有铝价离子(Ca,F)的LaOFeP的结构,电子和磁性,它们在转变温度(Tc)4-7 K时发生超导转变[Kamihara et al。,J.Am.化学Soc。 128,10012,(2006)]。在未掺杂样品中,样品的Tc从2.4到5.5 K不等,并且通过Ca和F掺杂增加到〜7K。 Tc的增加与晶格体积的减少相关。 LaOFeP在正常导电状态下表现出顺磁性。光发射光谱结合第一原理带计算表明,Fe 3d(dz2 +(dxz,dyz))轨道与P 3p杂化形成费米表面。谱带计算还表明,LaOFeP中Fe的3d电子基本上处于低自旋构型,LaOFeP的自旋矩几乎被淬灭,从而导致了迭代电子的顺磁性。

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