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Ferromagnetic tendency at the surface of CE charge-ordered manganites

机译:CE电荷有序锰氧化物表面的铁磁趋势

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摘要

Most previous investigations have shown that the surface of a ferromagneticmaterial may have antiferromagnetic tendencies. However, experimentally theopposite effect has been recently observed: ferromagnetism appears in somenano-sized manganites with a composition such that the antiferromagneticcharge-ordered CE state is observed in the bulk. A possible origin is thedevelopment of ferromagnetic correlations at the surface of these smallsystems. To clarify these puzzling experimental observations, we have studiedthe two-orbital double-exchange model near half-doping n=0.5, using openboundary conditions to simulate the surface of either bulk or nano-sizedmanganites. Considering the enhancement of surface charge density due to apossible AO termination (A = trivalent/divalent ion composite, O = oxygen), anunexpected surface phase-separated state emerges when the model is studiedusing Monte Carlo techniques on small clusters. This tendency suppresses the CEcharge ordering and produces a weak ferromagnetic signal that could explain theexperimental observations.
机译:先前的大多数研究表明,铁磁材料的表面可能具有反铁磁趋势。然而,最近在实验上观察到相反的作用:铁磁性出现在某些纳米尺寸的锰矿中,其组成使得在整体中观察到反铁磁有序的CE状态。可能的起源是这些小型系统表面铁磁相关性的发展。为了澄清这些令人费解的实验观察结果,我们研究了半掺杂n = 0.5附近的双轨道双交换模型,使用开边界条件模拟了块状或纳米级锰矿的表面。考虑到由于可能的AO终止(A =三价/二价离子复合物,O =氧)而引起的表面电荷密度的提高,当在小型簇上使用Monte Carlo技术研究模型时,出现了意外的表面相分离状态。这种趋势抑制了CE电荷的有序性,并产生了弱的铁磁信号,可以解释实验观察结果。

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