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arXiv 2005.06687cond-mat.mes-hallcond-mat.mtrl-sci
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氧化铝隧道结制作的模拟

Simulating the fabrication of aluminium oxide tunnel junctions

M. J. Cyster, J. S. Smith, N. Vogt, G. Opletal, S. P. Russo, J. H. Cole

摘要:

氧化铝(AlO $_\mathrm{x}$)隧道结是包括超导量子位在内的一系列纳米电子器件中的重要组件,其中它们可以用作约瑟夫森结。虽然通过新的电路设计,量子比特的可重复性和可靠性得到了许多改善,但在相关的材料科学方面仍然存在知识空白。更好地理解制造条件如何影响氧化物阻挡层的密度、均匀性和元素组成,可能会导致更低噪声和更可靠的纳米电子学和量子计算机的发展。在本文中,我们使用分子动力学建立模型的Al-AlO $_\mathrm{x}$ -Al结的迭代生长的结构与顺序计算。通过这种方法,我们可以看到在氧化模拟过程中表面氧化物的生长和变化。动态过程,如整个氧化物的电荷梯度的演变,在氧化物层中的孔的形成,以及非晶和半晶相之间的变化进行观察。我们的结果是广泛的协议与以前的工作,包括报道的氧化物密度,自限制的氧化,并增加结晶度的模拟温度升高。还研究了金属蒸发对氧化物的包覆。在金属-氧化物界面处的低密度区域是最终结结构中的共同特征,其对于铝基板的不同氧化参数、经验电势和晶体取向而持续存在。

英文摘要:

Aluminium oxide (AlO$_\mathrm{x}$) tunnel junctions are important components in a range of nanoelectric devices including superconducting qubits where they can be used as Josephson junctions. While many improvements in the reproducibility and reliability of qubits have been made possible through new circuit designs, there are still knowledge gaps in the relevant materials science. A better understanding of how fabrication conditions affect the density, uniformity, and elemental composition of the oxide barrier may lead to the development of lower noise and more reliable nanoelectronics and quantum computers. In this paper we use molecular dynamics to develop models of Al-AlO$_\mathrm{x}$-Al junctions by iteratively growing the structures with sequential calculations. With this approach we can see how the surface oxide grows and changes during the oxidation simulation. Dynamic processes such as the evolution of a charge gradient across the oxide, the formation of holes in the oxide layer, and changes between amorphous and semi-crystalline phases are observed. Our results are widely in agreement with previous work including reported oxide densities, self-limiting of the oxidation, and increased crystallinity as the simulation temperature is raised. The encapsulation of the oxide with metal evaporation is also studied atom by atom. Low density regions at the metal-oxide interfaces are a common feature in the final junction structures which persists for different oxidation parameters, empirical potentials, and crystal orientations of the aluminium substrate.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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