An interesting question is whether chalcogen atoms can emulate the role of carbon or boron elements stabilized between two transition metal layers, as observed in MXenes or MBenes. Here, we predict a new family of two-dimensional ternary compounds M 4 XY 2 (where M = Pd, Y, Zr, etc.; X = S, Se, Te; and Y = Cl, Br, I), named M-chalcogene. Through first-principles calculations, we reveal diverse physical properties in these compounds, including superconducting, topological, and magnetic characteristics, where the bilayer transition metals play crucial roles. Moreover, the expected helical edge states and superconducting transition temperatures in Pd 4 SCl 2 can be finely tuned by strains. Additionally, the Ti 4 SCl 2 is predicted to be a topological insulator and shows promise as a gas sensor candidate for certain exotic gases. Our findings expand two-dimensional material families and provide promising platforms for diverse physical phenomena with efficient tunability by external stimuli for various applications.
Keyphrases
- transition metal
- physical activity
- molecularly imprinted
- mental health
- escherichia coli
- genome wide
- molecular dynamics simulations
- density functional theory
- room temperature
- pet imaging
- health risk
- dna methylation
- risk assessment
- gold nanoparticles
- health risk assessment
- climate change
- energy transfer
- positron emission tomography