Chlorine adsorption on Cu(111) revisited: LT-STM and DFT study

Boris V. Andryushechkin (1) , Victor V. Zheltov (1) , Vladimir V. Cherkez (1, 2) , Georgy M. Zhidomirov (1, 3) , Andrey N. Klimov (1) , Bertrand Kierren (2) , Yannick Fagot-Révurat (2) , Daniel Malterre (2) , Konstantin N. Eltsov (1, 4)

1 GPI - A. M. Prokhorov General Physics Institute
2 IJL - Institut Jean Lamour
3 Boreskov Institute of Catalysis
4 MIPT - Moscow Institute of Physics and Technology [Moscow]

Adsorption of chlorine atoms on the Cu(111) surface has been studied with low-temperature scanning tunneling microscopy (LT-STM) in a combination with density functional theory (DFT) calculations. At submonolayer coverage range (theta <= 0.10 ML), chlorine forms quasi-one dimensional chains. Atoms in the chains alternately occupy fcc and hcp positions, with nearest-neighbor distance of approximate to 3.9 angstrom. At coverage of 0.10-0.33 ML, a simple (root 3 x root 3)R30 degrees structure is formed, in which all chlorine atoms occupy fcc positions with nearest neighbor distances of 4.4 angstrom

Mots clés: Chlorine; Copper (111); Lateral interactions; Scanning tunneling microscopy; Density functional theory

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Boris V. Andryushechkin, Victor V. Zheltov, Vladimir V. Cherkez, Georgy M. Zhidomirov, Andrey N. Klimov, et al.. Chlorine adsorption on Cu(111) revisited: LT-STM and DFT study. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2015, 639, pp.7-12. ⟨10.1016/j.susc.2015.03.030⟩. ⟨hal-01271642⟩