Strong Thermal Transport Anisotropy and Strain Modulation in Single-Layer Phosphorene

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• 作者：Zhun-Yong Ong ; Yongqing Cai ; Gang Zhang ; Yong-Wei Zhang
• 刊名：Journal of Physical Chemistry C
• 出版年：2014
• 出版时间：October 30, 2014
• 年：2014
• 卷：118
• 期：43
• 页码：25272-25277
• 全文大小：386K
• ISSN：1932-7455

文摘

Using first-principles calculations and the nonequilibrium Green鈥檚 function method, we investigate ballistic thermal transport in two-dimensional monolayer phosphorene sheet. A significant crystallographic orientation dependence of thermal conductance is observed, with room temperature thermal conductance along zigzag direction being 40% higher than that along armchair direction. Furthermore, we find that the thermal conductance anisotropy with the orientation can be tuned by applying strain. In particular, the zigzag-oriented thermal conductance is enhanced when a zigzag-oriented strain is applied but decreases when an armchair-oriented strain is applied; whereas the armchair-oriented thermal conductance always decreases when either a zigzag- or an armchair-oriented strain is applied. The present work suggests that the remarkable thermal transport anisotropy and its strain-modulated effect in single-layer phosphorene may be used for thermal management in phosphorene-based electronics and optoelectronic devices.