Theoretical studies of Sm/Si(111 )-n x 1 (n = 5, 7) and Sm/Si(111 )-(8 x 2) structures

• Published in: Surface science Vol. 603; no. 17; pp. 2771 - 2776
• Main Authors: PALMINO, F, DUVERGER, E
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier 01.09.2009
• Subjects: Chemical Physics; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Cross-disciplinary physics: materials science; rheology; Electronics; Engineering Sciences; Exact sciences and technology; Physics; Density of states; Silicon surface; Theoretical study; Rare-earth (RE); STM; Density functional theory (DFT); Scanning tunneling microscopy; Simulation; Rare earths; Density functional method; Silicon; Samarium; VASP simulations; Interface; Local density of states (LDOS)

In this study we employ a state-of-the-art pseudopotential method to perform local density of states (LDOS) calculations of n x 1 (n = 5, 7) and (8 x 2) reconstructions induced by the adsorption of rare-earth samarium (RE) in the submonolayer range. We conducted a full comparison between images from...