TY - JOUR
T1 - Volume-matched piezoelectric LaN/REN superlattices from first-principles
AU - Yang, Xiaoqing
AU - Su, Tianhao
AU - Hu, Minglang
AU - Li, Yongchang
AU - Gao, Heng
AU - Jia, Fanhao
AU - Fang, Le
AU - Chen, Yangyang
AU - Zhou, Bin
AU - Su, Haijun
AU - Bellaiche, L.
AU - Ren, Wei
N1 - Publisher Copyright:
© 2022 Author(s).
PY - 2022/10/24
Y1 - 2022/10/24
N2 - LaN/rare earth nitride (REN) superlattices, having magnetic REN as one of the parent components, are constructed and studied by first-principles calculations. In particular, they are found to be mechanically and dynamically stable with (anti-)ferromagnetic and ferroelectric orderings. We reveal that the volume matching condition is applicable to these superlattices, which results in the elastic constant C33 softening and, when combined with a small c/a value, induces a huge piezoelectric response near the unstrained state. We also show that in-plane biaxial strain can precisely control the nature (indirect or direct) and value of the electronic bandgap. Moreover, the unpaired magnetically active 4f-electrons reduce the c-direction off-centric distortion of the wurtzite structure, making possible the switching of the ferroelectric polarization. This work, therefore, reveals that the volume matching condition also applies to magnetic materials and provides guidance for the design of multiferroic rare-earth nitride superlattices in piezoelectric devices.
AB - LaN/rare earth nitride (REN) superlattices, having magnetic REN as one of the parent components, are constructed and studied by first-principles calculations. In particular, they are found to be mechanically and dynamically stable with (anti-)ferromagnetic and ferroelectric orderings. We reveal that the volume matching condition is applicable to these superlattices, which results in the elastic constant C33 softening and, when combined with a small c/a value, induces a huge piezoelectric response near the unstrained state. We also show that in-plane biaxial strain can precisely control the nature (indirect or direct) and value of the electronic bandgap. Moreover, the unpaired magnetically active 4f-electrons reduce the c-direction off-centric distortion of the wurtzite structure, making possible the switching of the ferroelectric polarization. This work, therefore, reveals that the volume matching condition also applies to magnetic materials and provides guidance for the design of multiferroic rare-earth nitride superlattices in piezoelectric devices.
UR - http://www.scopus.com/inward/record.url?scp=85141071107&partnerID=8YFLogxK
U2 - 10.1063/5.0116230
DO - 10.1063/5.0116230
M3 - 文章
AN - SCOPUS:85141071107
SN - 0003-6951
VL - 121
JO - Applied Physics Letters
JF - Applied Physics Letters
IS - 17
M1 - 172104
ER -