Magnetic properties of quasi one-dimensional vanadium-benzene nanowire affected by gas molecules: a first-principle study

TL;DR

This study uses first-principles calculations to explore how gas molecules NO and NO2 influence the magnetic and electronic properties of vanadium-benzene nanowires, revealing potential for spintronic sensor applications.

Contribution

It provides a detailed theoretical analysis of gas molecule effects on VBNW's magnetic phases, highlighting their sensitivity and selectivity for sensor development.

Findings

NO adsorption induces phase transitions in VBNW from half metal to paramagnetic semiconductor.

NO2 initially enhances half-metallicity before decreasing it at higher adsorption levels.

VBNW's electronic and magnetic properties are highly sensitive to NO and NO2, enabling potential sensor applications.

Abstract

Magnetic properties of quasi one-dimensional vanadium-benzene nanowires (VBNW) are investigated theoretically with the absorption of gas molecules-NO and NO2. With the increase adsorption of NO on VBNW, the phase transition from half metal to ferromagnetic metal and last to paramagnetic semiconductor can be observed. With the increase of NO2 on VBNW, half metallic property can be enhanced at first and decreased later. Thus, the electronic and magnetic properties of VBNW can be sensitive and selective to NO and NO2, revealing the potential applications in spintronic sensors of these two kinds of molecules.