TY - JOUR
T1 - Ferroelectricity in novel one-dimensional P42-InSeI nanowires
AU - Jiang, Shujuan
AU - Liu, Siyuan
AU - Wang, Yi
AU - Chen, Weizhen
AU - Yin, Huabing
AU - Wang, Bing
AU - Liu, Chang
AU - Feng, Zhenzhen
AU - Zheng, Guang Ping
N1 - Funding Information:
This work was supported by the National Natural Science Foundation of China (Nos. 21603056, 12047517, 11904079, 12047518, and 12104130), the Natural Science Foundation of Henan Province (No. 202300410069), the China Postdoctoral Science Foundation (Nos. 2019M652303, 2020TQ0088, 2020TQ0089, 2020M682274, and 2021M690906), and Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory. We thank Dr. Shan Guan for the useful discussions. H. B. Y. acknowledges support from the Young Talents Program of Henan University.
Publisher Copyright:
© 2021 The Author(s)
PY - 2021/12
Y1 - 2021/12
N2 - 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 P42 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 P42-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.
AB - 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 P42 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 P42-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.
KW - Ferroelectricity
KW - First-principles calculations
KW - InSeI nanowires
KW - One-dimensional material
KW - Polarization reversal
UR - http://www.scopus.com/inward/record.url?scp=85118482952&partnerID=8YFLogxK
U2 - 10.1016/j.rinp.2021.104960
DO - 10.1016/j.rinp.2021.104960
M3 - Journal article
AN - SCOPUS:85118482952
SN - 2211-3797
VL - 31
JO - Results in Physics
JF - Results in Physics
M1 - 104960
ER -