A tight binding and [Formula: see text] study of monolayer stanene

Area of Science:

• Condensed Matter Physics
• Materials Science

Background:

• Stanene, a single atomic layer of tin, is an emerging material with potential for quantum spin Hall effect applications.
• Accurate theoretical models are essential for understanding and utilizing novel 2D materials like stanene.

Purpose of the Study:

• To develop an accurate tight-binding model for single-layer stanene near the Fermi level.
• To investigate the electronic properties of stanene, including the effects of spin-orbit coupling and atomic buckling.

Main Methods:

• Parameterization of onsite and hopping energies for nearest, second, and third nearest neighbors in a tight-binding model.
• Analytical derivation of electronic band structures at the Gamma and M points.
• Numerical investigation of buckling effects and fitting to ab-initio dispersion relations.

Main Results:

• An accurate tight-binding model for stanene was established, considering spin-orbit coupling.
• The electronic band structures at key reciprocal space points were derived analytically and numerically.
• The impact of atomic buckling on stanene's electronic properties was investigated.

Conclusions:

• The developed tight-binding model provides a robust foundation for atomistic device transport calculations in stanene.
• This work facilitates further research into stanene-based quantum spin Hall devices.