Electronic and magnetic properties of silicene monolayer under bi-axial mechanical strain: a first-principles study

Abstract

Mechanical control of electronic and magnetic properties of 2D Van-der-Waals heterostructures gives new possibilities for further development of spintronics and information-related technologies. Using the density functional theory, we investigate the structural, electronic, and magnetic properties of silicene monolayer with substituted Chromium atoms and under a small biaxial strain ($-6\%<\epsilon <8\%$). Our results indicate that the Cr-doped silicene nanosheets without strain have magnetic metallic, half-metallic or semiconducting properties depending on the type of substitution. We also show that the magnetic moments associated with the monomer and vertical dimer substitutions change very weakly with strain. However, the magnetic moment associated with the horizontal dimer substitution decreases when either compressive or tensile strain is applied to the system. Additionally, we show that the largest semiconductor band-gap is approximately 0.13 eV under zero strain for the vertical Cr-doped silicene. Finally, biaxial compressive strain leads to irregular changes in the magnetic moment for Cr vertical dimer substitution.

This paper is including 11 pages as well as 7 figures

References in corpus (12)

• Uniaxial Strain in Graphene by Raman Spectroscopy: G peak splitting, Gruneisen Parameters and Sample Orientation
• A tight-binding approach to uniaxial strain in graphene
• Valley-Polarized Metals and Quantum Anomalous Hall Effect in Silicene
• Strain engineered direct-indirect band gap transition and its mechanism in 2D phosphorene
• Subjecting a graphene monolayer to tension and compression
• Dirac-point engineering and topological phase transitions in honeycomb optical lattices
• Comment on "Band structure engineering of graphene by strain: First-principles calculations"
• Testing several recent van der Waals density functionals for layered structures
• Gaps tunable by electrostatic gates in strained graphene
• Intrinsic spin Hall effect in silicene: transition from spin Hall to normal insulator
• Edge magnetism impact on electrical conductance and thermoelectric properties of graphenelike nanoribbons
• Spectral properties and the Kondo effect of cobalt adatoms on silicene