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Frontiers of Physics

ISSN 2095-0462

ISSN 2095-0470(Online)

CN 11-5994/O4

邮发代号 80-965

2019 Impact Factor: 2.502

Frontiers of Physics  2024, Vol. 19 Issue (6): 63210   https://doi.org/10.1007/s11467-024-1434-3
  本期目录
Strong ferroelectricity in one-dimensional materials self-assembled by superatomic metal halide clusters
Yu Guo1, Yang Zhao1, Qiao Ling1, Si Zhou1,2,3(), Jijun Zhao1,2,3()
1. Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024, China
2. Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, School of Physics, South China Normal University, Guangzhou 510006, China
3. Guangdong-Hong Kong Joint Laboratory of Quantum Matter, Frontier Research Institute for Physics, South China Normal University, Guangzhou 510006, China
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Abstract

Cluster-assembled materials have long been pursued as they can create some unprecedented and desirable properties. Herein, we assemble a class of one-dimensional (1D) ReNX4 (X = F, Cl, Br and I) and MF5 (M = V, Nb and Ta) nanowires by covalently linking their superatomic clusters. These assembled 1D nanowires exhibit outstanding energetic and dynamic stabilities, and hold sizable spontaneous polarization, low ferroelectric switching barriers and high critical temperature. Their superior ferroelectricity is originated from d0-configuration transition metal ions generated by the hybridization of empty d orbitals of metal atoms and p orbitals of non-metal atoms. These critical insights pave a new avenue to fabricate 1D ferroelectrics toward the development of miniaturized and high-density electronic devices using building blocks as cluster with precise structures and functionalities.

Key wordsferroelectricity    superatom    cluster-assembled materials    electronic properties    first-principles calculations
收稿日期: 2023-12-19      出版日期: 2024-08-22
Corresponding Author(s): Si Zhou,Jijun Zhao   
 引用本文:   
. [J]. Frontiers of Physics, 2024, 19(6): 63210.
Yu Guo, Yang Zhao, Qiao Ling, Si Zhou, Jijun Zhao. Strong ferroelectricity in one-dimensional materials self-assembled by superatomic metal halide clusters. Front. Phys. , 2024, 19(6): 63210.
 链接本文:  
https://academic.hep.com.cn/fop/CN/10.1007/s11467-024-1434-3
https://academic.hep.com.cn/fop/CN/Y2024/V19/I6/63210
Fig.1  
Materials ReNF4 ReNCl4 ReNBr4 ReNI4 VF5 NbF5 TaF5
a (Å) 4.10 4.08 4.04 3.88 4.63 4.23 4.11
d2?d1 (Å) 0.74 0.70 0.63 0.41 0.82 0.40 0.20
d3 (Å) 0.32 0.36 0.35 0.28 0.43 0.34 0.21
Ef (eV) −0.28 −0.22 −0.28 −0.43 −0.10 −0.12 −0.18
Eg (eV) 4.25 (d) 2.25 1.43 4.94 (d) 6.97 6.60
EB (eV) 0.74 0.81 0.85 0.50 0.10 0.09
PFE (10−10 C/m) 52.03 25.64 28.58 55.5 24.64 36.96
TC (K) 224 280 321 95 86 72
e11 (10−10 C/m) 30.29 22.86 22.21 35.47 31.47 61.28
p (10−10 C/(K·m−2)) 0.06 0.02 0.02 0.13 0.07 0.12
Tab.1  
Fig.2  
Fig.3  
Fig.4  
Fig.5  
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