1MOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter, Xi'an Jiaotong University, Xi'an 710049 2Functional Materials Laboratory, School of Materials and Mineral Resources, Xi'an University of Architecture and Technology, Xi'an 710055
Abstract：Electronic, elastic and piezoelectric properties of two-dimensional (2D) group-IV buckled monolayers (GeSi, SnSi and SnGe) are studied by first principle calculations. According to our calculations, SnSi and SnGe are good 2D piezoelectric materials with large piezoelectric coefficients. The values of $d_{11}$ of SnSi and SnGe are 5.04 pm/V and 5.42 pm/V, respectively, which are much larger than 2D MoS$_{2}$ (3.6 pm/V) and are comparable with some frequently used bulk materials (e.g., wurtzite AlN 5.1 pm/V). Charge transfer is calculated by the Löwdin analysis and we find that the piezoelectric coefficients ($d_{11}$ and $d_{31}$) are highly dependent on the polarizabilities of the anions and cations in group-IV monolayers.
Paolo G, Stefano B, Nicola B, Matteo C, Roberto C, Carlo C, Davide C, Guido L C, Matteo C, Ismaila D, Andrea Dal C, Stefano de G, Stefano F, Guido F, Ralph G, Uwe G, Christos G, Anton K, Michele L, Layla M S, Nicola M, Francesco M, Riccardo M, Stefano P, Alfredo P, Lorenzo P, Carlo S, Sandro S, Gabriele S, Ari P S, Alexander S, Paolo U and Renata M W 2009 J. Phys.: Condens. Matter21 395502
2017, Vol. 34 
