Spin-orbit coupling in buckled monolayer nitrogene

Area of Science:

• Materials Science
• Condensed Matter Physics
• Quantum Chemistry

Background:

• Buckled monolayer nitrogen is a recently predicted 2D material.
• Its low atomic number suggests weak spin-orbit coupling (SOC), similar to graphene and silicene.

Purpose of the Study:

• To systematically study intrinsic and extrinsic spin-orbit coupling in buckled monolayer nitrogen.
• To quantify the spin mixing parameter and electric-field-induced SOC effects.

Main Methods:

• First-principles calculations.
• Calculation of the spin mixing parameter (eta).
• Application of transverse electric fields to induce extrinsic SOC.

Main Results:

• Intrinsic SOC is weak, with eta on the order of 10^-3 and weak anisotropy.
• Extrinsic SOC fields (gamma) are on the order of meV in the valence band and tens to hundreds of meV in the conduction band.
• Extrinsic SOC exhibits anisotropy, especially for conduction electrons.

Conclusions:

• Buckled monolayer nitrogen possesses weak intrinsic SOC.
• Tunable extrinsic SOC can be achieved via electric fields, with anisotropic behavior observed.
• These findings are crucial for spintronic applications of 2D materials.