Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 25, Issue 35, Pages 24155-24162Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d3cp01319g
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In this study, the stability and various characteristics of chromium phosphorus nanoribbons (CrPNRs) were examined. The results indicate that the nanoribbon is stable and has an indirect band gap and metallic properties. The nanoribbon also exhibits magnetic properties and shows potential for nanoelectronic and spintronic applications at room temperature.
In this work, the stability, and electronic, magnetic, and transport characteristics of chromium phosphorus nanoribbons (CrPNRs) have been investigated. The results, obtained from the non-equilibrium Green's function and density functional theory, indicate that the nanoribbon is stable in terms of binding energies as well as dynamically. The calculated electronic structure shows that this nanoribbon has an indirect band gap of about 1.67 eV for the spin-down channel and is metallic for the spin-up channel. The metallicity of the spin-up channel originates from the P-3p orbitals and the magnetic properties are due to the Cr-3d orbitals. The obtained transport properties indicate the value of the current for the spin-up state is about 50 & mu;A. The negative differential resistance (NDR) phenomenon and also a 100% spin filtering effect are seen between voltages of 0.4 and 0.5 V. The results showed that CrPNRs have a high Curie temperature of more than 690 K, indicating that this nanoribbon is a useful ferromagnetic material for nanoelectronic devices and spintronic applications at ambient temperature. It is revealed that CrPNRs had a high Curie temperature of more than 690 K, indicating that this nanoribbon is a useful ferromagnetic material for nanoelectronic devices and spintronic applications at room temperature.
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