TY - JOUR
T1 - The Piezoelectricity and Doping-Induced Ferromagnetism of Janus XYP2 (X/Y = Si, Ge, Sn, and Pb; X ≠ Y) Monolayers
AU - Jiang, Shujuan
AU - Zheng, Guangping
N1 - Funding Information:
This work was supported by a grant from the Research Grants Council of the Hong Kong Special Administrative Region, China (no. 152190/18E).
Publisher Copyright:
© 2022 Wiley-VCH GmbH.
PY - 2023/5
Y1 - 2023/5
N2 - 2D materials that possess multifunctional properties are of great interest for applications in semiconducting devices. Herein, a series of novel Janus XYP 2 (X/Y = Si, Ge, Sn, and Pb; X ≠ Y) monolayers with good stability, electronic, mechanical, piezoelectric properties, as well as ferromagnetic properties are predicted based on density functional theory. They are all indirect-bandgap semiconductors with bandgaps varying from 0.56 to 2.18 eV. The monolayers exhibit in-plane and out-of-plane piezoelectricity with large piezoelectric coefficients, suggesting that they are promising piezoelectric materials for nanoelectromechanical systems. In SiGeP 2, GeSnP 2, and SnPbP 2 monolayers, hole doping is found to be an effective approach in inducing or tuning different ferromagnetic states resulting from electronic instability as reflected by van Hove singularity of band structures in the 2D systems. The results suggest that Janus XYP 2 monolayers can be promising 2D materials for applications in nanoelectronic, spintronic, and nanoelectromechanical devices.
AB - 2D materials that possess multifunctional properties are of great interest for applications in semiconducting devices. Herein, a series of novel Janus XYP 2 (X/Y = Si, Ge, Sn, and Pb; X ≠ Y) monolayers with good stability, electronic, mechanical, piezoelectric properties, as well as ferromagnetic properties are predicted based on density functional theory. They are all indirect-bandgap semiconductors with bandgaps varying from 0.56 to 2.18 eV. The monolayers exhibit in-plane and out-of-plane piezoelectricity with large piezoelectric coefficients, suggesting that they are promising piezoelectric materials for nanoelectromechanical systems. In SiGeP 2, GeSnP 2, and SnPbP 2 monolayers, hole doping is found to be an effective approach in inducing or tuning different ferromagnetic states resulting from electronic instability as reflected by van Hove singularity of band structures in the 2D systems. The results suggest that Janus XYP 2 monolayers can be promising 2D materials for applications in nanoelectronic, spintronic, and nanoelectromechanical devices.
KW - 2D materials
KW - Janus monolayers
KW - bandgaps
KW - ferromagnetism
KW - piezoelectricity
UR - http://www.scopus.com/inward/record.url?scp=85136569242&partnerID=8YFLogxK
U2 - 10.1002/pssb.202200269
DO - 10.1002/pssb.202200269
M3 - Journal article
SN - 0370-1972
VL - 260
JO - Physica Status Solidi (B): Basic Research
JF - Physica Status Solidi (B): Basic Research
IS - 5
M1 - 2200269
ER -