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Prediction of quasi-one-dimensional superconductivity in metastable two-dimensional boron

机译:亚稳二维硼中准一维超导性的预测

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Two-dimensional (2D) boron has been predicted to exhibit various structural polymorphs and interesting physics, including superconductivity, ideal strength, negative Possion's ratio, and a higher thermal conductivity than graphene, etc. However, the difficulty in experimental synthesis of 2D boron has further reduced its exploration and applications. In this work we have used a crystal structure search method and first-principles calculations. We have proposed a scheme of "synthesize under high pressure and peel off at ambient conditions" to first predict a bulk phase of KB4, and then peel off free standing 2D boron from it. Based on electron-phonon coupling calculations, we estimated that 2D boron is an intrinsic superconductor with T-c = 17.9 K. In addition we found a strong anisotropy of the electron-phonon coupling strength in 2D boron, thus the superconductivity in 2D boron possesses a quasi-1D feature. Our proposed scheme for the synthesis of free standing 2D boron will stimulate further studies of superconductivity in low dimensional materials, both theoretically and experimentally.
机译:预计二维(2D)硼表现出各种结构多晶型物和有趣的物理学,包括超导,理想的强度,负可能性的比率,并且比石墨烯等更高的导热率为。然而,2D硼的实验合成难度进一步减少了其勘探和应用。在这项工作中,我们使用了晶体结构搜索方法和第一原理计算。我们已经提出了“在高压下合成并在环境条件下剥离”的方案,以首先预测KB4的体积,然后从中剥离自由稳定的2D硼。基于电子 - 声子耦合计算,我们估计2D硼是具有Tc = 17.9k的内在超导体。此外,我们发现了2D硼的电子 - 声子耦合强度的强烈各向异性,因此2D硼的超导性具有拟有量-1d功能。我们所提出的用于合成自由2D硼的方案将刺激理论上和实验的低尺寸材料中超导性的进一步研究。

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