2014/09/03 by Zhun-Yong Ong, Yongqing Cai, Gang Zhang +1
Materials Science · Physics and Astronomy · #2D Materials and Applications #Advanced Thermoelectric Materials and Devices #Anisotropy #Conductance #Monolayer #Phosphorene #Thermal #Thermal conductivity #Thermal properties of materials #Work (physics) #Zigzag #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · doi:10.1021/jp5079357
19 pages, 6 figures
arxiv created 2014/09/03 · openalex publication_date 2014/10/10 · openalex created_date 2016/06/24 · arxiv updated 2017/04/18 · openalex updated_date 2026/08/05
Using first-principles calculations and the nonequilibrium Green’s 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.