Low-dimensional materials with definite geometrical and electronic structures have long been pursued to fulfill the requirement of technological devices toward miniaturization, multifunctionality, and precise manufacturing. Inspired by the emerging transition metal halide monolayers with intriguing magnetic behavior, here we systematically explore stable one-dimensional (1D) structures of transition metal halides. By first-principles calculations, a total of 208 TMX2 and TMX3 (TM is 3d, 4d, 5d transition metal elements; X = F, Cl, Br, I) nanowires have been predicted, showing diverse electronic and magnetic properties, such as ferromagnetic semiconductors, half metals, and antiferromagnets. They possess many application-desired characters, including a wide range of bandgaps, small carrier effective masses, outstanding capability for solar energy harvesting, and strong ferromagnetic or antiferromagnetic order. This large family of TMXn nanowires provides a great platform for exploring exotic 1D physics as well as for designing high-performance devices.
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10 January 2022
Research Article|
January 11 2022
Transition metal halide nanowires: A family of one-dimensional multifunctional building blocks
Special Collection:
One-Dimensional van der Waals Materials
Li Fu;
Li Fu
Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education
, Dalian 116024, China
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Chanjuan Shang;
Chanjuan Shang
Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education
, Dalian 116024, China
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Si Zhou
;
Si Zhou
a)
Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education
, Dalian 116024, China
a)Author to whom correspondence should be addressed: [email protected]
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Yu Guo;
Yu Guo
Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education
, Dalian 116024, China
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Jijun Zhao
Jijun Zhao
Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education
, Dalian 116024, China
Search for other works by this author on:
Li Fu
Chanjuan Shang
Si Zhou
a)
Yu Guo
Jijun Zhao
Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education
, Dalian 116024, China
a)Author to whom correspondence should be addressed: [email protected]
Note: This paper is part of the APL Special Collection on One-Dimensional van der Waals Materials.
Appl. Phys. Lett. 120, 023103 (2022)
Article history
Received:
November 15 2021
Accepted:
December 28 2021
Citation
Li Fu, Chanjuan Shang, Si Zhou, Yu Guo, Jijun Zhao; Transition metal halide nanowires: A family of one-dimensional multifunctional building blocks. Appl. Phys. Lett. 10 January 2022; 120 (2): 023103. https://doi.org/10.1063/5.0078819
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