LAUSR.org creates dashboard-style pages of related content for over 1.5 million academic articles. Sign Up to like articles & get recommendations!

The influence of dopants on aW-phase antimonene: theoretical investigations

Photo from academic.microsoft.com

We systemically investigate the effect of dopants on the geometrics, electronic and magnetic properties of asymmetric washboard structure of antimonene (aW-Sb) by using density functional theory (DFT) calculations. The large… Click to show full abstract

We systemically investigate the effect of dopants on the geometrics, electronic and magnetic properties of asymmetric washboard structure of antimonene (aW-Sb) by using density functional theory (DFT) calculations. The large binding energies and short bond lengths indicate the doped systems still maintain high stability. Pristine aW-Sb is a nonmagnetic semiconductor with a narrow band gap, while the doped aW-Sb exhibit metallic by doping. Furthermore, the Ti, V, Cr, Mn and Fe doping induced magnetic states, and the result of spin density indicates that the magnetic moments are mainly localized at dopant and the adjacent Sb atoms.

Keywords: influence dopants; phase antimonene; antimonene theoretical; dopants phase; theoretical investigations

Journal Title: RSC Advances
Year Published: 2020

Link to full text (if available)


Share on Social Media:                               Sign Up to like & get
recommendations!

Related content

More Information              News              Social Media              Video              Recommended



                Click one of the above tabs to view related content.