Pacific Northwest National Laboratory, Richland, Washington 99352, USA.
Phys Rev Lett. 2011 Nov 11;107(20):206802. doi: 10.1103/PhysRevLett.107.206802. Epub 2011 Nov 7.
Core-level and valence-band x-ray photoemission spectra measured for molecular-beam-epitaxy-grown LaCrO(3)/SrTiO(3)(001) yield band offsets and potential gradients within the LaCrO(3) sufficient to trigger an electronic reconstruction to alleviate the polarity mismatch. Yet, the interface is insulating. Based on first principles calculations, we attribute this unexpected result to interfacial cation mixing combined with charge redistribution within CrO(2) layers, enabled by low-lying d states within LaCrO(3), which suppresses an electronic reconstruction.
采用分子束外延生长的 LaCrO(3)/SrTiO(3)(001),其芯能级和价带光电子能谱表明,LaCrO(3)中的带隙和位势梯度足以引发电子重组以缓解极性失配。然而,界面是绝缘的。基于第一性原理计算,我们认为这种出乎意料的结果是由界面阳离子混合以及 CrO(2)层内的电荷重新分布引起的,这是由 LaCrO(3)中较低的 d 态允许的,这抑制了电子重组。