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arXiv 1407.4697cond-mat.str-elcond-mat.mtrl-sci
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Na2IrO3表面的非常规重构和电子性质研究

Investigation of unconventional reconstruction and electronic properties on the Na2IrO3 surface

F. Lupke, S. Manni, S. C. Erwin, I. I. Mazin, P. Gegenwart, M. Wenderoth

摘要:

Na2IrO3是一种有趣的材料,其中自旋轨道耦合起着关键作用。理论预测,迄今未经证实,已作出的Na 2 IrO 3的表面应表现出明确的签名的量子自旋霍尔效应。我们用扫描隧道显微镜和密度泛函理论计算研究了Na2IrO3的表面。我们观察到原子级分辨率的表面和两种类型的终端具有不同的表面周期性和钠含量。通过比较偏置依赖的实验地形图像模拟图像,我们确定了详细的原子结构的两个观察到的表面。其中之一揭示了一个强烈的弛豫表面的Na原子从次表面区域两个原子层以下。这种戏剧性的结构变化在表面投下怀疑任何预测的表面性质的基础上,散装电子结构。事实上,使用空间分辨隧穿光谱,我们没有发现预测的量子自旋霍尔行为的迹象。

英文摘要:

Na2IrO3 is an intriguing material for which spin-orbit coupling plays a key role. Theoretical predictions, so far unverified, have been made that the surface of Na2IrO3 should exhibit a clear signature of the quantum spin Hall effect. We studied the surface of Na2IrO3 using scanning tunneling microscopy and density-functional theory calculations. We observed atomic level resolution of the surface and two types of terminations with different surface periodicity and Na content. By comparing bias-dependent experimental topographic images to simulated images, we determined the detailed atomistic structure of both observed surfaces. One of these reveals a strong relaxation to the surface of Na atoms from the subsurface region two atomic layers below. Such dramatic structural changes at the surface cast doubt on any prediction of surface properties based on bulk electronic structure. Indeed, using spatially resolved tunneling spectroscopy we found no indication of the predicted quantum spin Hall behavior.

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