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Updated: Sep 23, 2025
11:10
Atomic Layer Deposition of Vanadium Dioxide and a Temperature-dependent Optical Model
Published on: May 23, 2018
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Stability of the V and Co atomic wires: a first-principles study
Shu-Lan Liu1,2, Bao-Ru Wang3, Qing-Min Ma2
1Department of Physics, Tangshan Normal University Tangshan 063000 Hebei China.
RSC Advances
|May 13, 2022
Summary
Density-functional theory reveals stable vanadium and cobalt atomic wires. While vanadium wires exhibit metallic or semiconducting properties without magnetism, cobalt wires are metallic, with one showing ferromagnetism.
Area of Science:
- Condensed matter physics
- Materials science
- Computational materials science
Background:
- Atomic wires offer unique electronic and magnetic properties.
- Understanding the stability and characteristics of one-dimensional nanostructures is crucial for future electronic applications.
Purpose of the Study:
- To investigate the structural stability and electromagnetic properties of infinite vanadium (V) and cobalt (Co) atomic wires.
- To identify stable atomic wire structures and their electronic and magnetic behaviors.
Main Methods:
- Density-functional theory (DFT) calculations.
- Projector-augmented wave (PAW) method with pseudopotentials.
Main Results:
- Identified five stable vanadium atomic wire structures and four stable cobalt atomic wire structures.
- Vanadium atomic wires: one semiconductor (H structure), four metallic, none magnetic.
- Cobalt atomic wires: all metallic, with the dimerized chain exhibiting ferromagnetism and a significant spin magnetic moment.
Conclusions:
- Specific atomic arrangements dictate the electronic and magnetic properties of V and Co atomic wires.
- Cobalt atomic wires, particularly the dimerized ferromagnetic chain, show potential for spintronic applications.
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