Ferroelectricity in novel one-dimensional P42-InSeI nanowires

With the increasing demands for the miniaturization of ferroelectricity-enabled electronic devices, it is highly desirable that the ferroelectricity would exist in low-dimensional materials. However, those ferroelectrics, especially one-dimensional (1D) ones, are still limited. Herein, based on the first-principles calculations, 1D ferroelectricity in novel InSeI nanowires with noncentrosymmetric P4(2) space group is explored, which could possess three different paths for the reversal of electric polarization. The minimum energy barrier of 97 meV/f.u. for the polarization reversal, comparable with those of other low-dimensional ferroelectrics, could be achieved through a unique four-step concerted process. According to ab initio molecular dynamics simulations, the Curie temperature of the proposed P4(2)-InSeI nanowires is estimated to about 866 K, above room temperature. The electronic structure and carrier mobility of the nanowires are also studied, demonstrating that they could be promising materials in nanoelectronics such as high-density nonvolatile memories due to their stable array structures formed by van der Waals interactions.

Automated summary

Based on first-principles calculations, 1D ferroelectricity in novel InSeI nanowires with noncentrosymmetric P4(2) space group is explored, which could possess three different paths for the reversal of electric polarization and achieve a minimum energy barrier of 97 meV/f.u. The Curie temperature of the proposed P4(2)-InSeI nanowires is estimated to about 866 K, above room temperature, making them promising materials for high-density nonvolatile memories.