Auxetic and Ferroelastic Borophane: A Novel 2D Material with Negative Possion’s Ratio and Switchable Dirac Transport Channels

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• 作者：Liangzhi Kou ; Yandong Ma ; Chun Tang ; Ziqi Sun ; Aijun Du ; Changfeng Chen
• 刊名：Nano Letters
• 出版年：2016
• 出版时间：December 14, 2016
• 年：2016
• 卷：16
• 期：12
• 页码：7910-7914
• 全文大小：340K
• ISSN：1530-6992

文摘

Recently synthesized atomically thin boron sheets (that is, borophene) provide a fascinating template for new material property discovery. Here, we report findings of an extraordinary combination of unusual mechanical and electronic properties in hydrogenated borophene, known as borophane, from first-principles calculations. This novel 2D material has been shown to exhibit robust Dirac transport physics. Our study unveils that borophane is auxetic with a surprising negative Poisson’s ratio stemming from its unique puckered triangle hinge structure and the associated hinge dihedral angle variation under a tensile strain in the armchair direction. Our results also identify borophane to be ferroelastic with a stress-driven 90° lattice rotation in the boron layer, accompanied by a remarkable orientation switch of the anisotropic Dirac transport channels. These outstanding strain-engineered properties make borophane a highly versatile and promising 2D material for innovative applications in microelectromechanical and nanoelectronic devices.