Li atoms deposited on single crystalline MgO(001) surface. A combined experimental and theoretical study

• DOI: 10.1016/j.cplett.2007.11.049
• Publication Date: 2007-11-26T12:09:02Z
• Authors: J.C. Lian; E. Finazzi; C. Di Valentin; T. Risse; H.-J. Gao; G. Pacchioni; H.-J. Freund
• Keywords: superfici, ossidi, cluster supportati; 02 engineering and technology; 0210 nano-technology; 01 natural sciences; 0104 chemical sciences

In this Letter the interaction of Li atoms with terrace sites of MgO(0 0 1) surfaces is characterized by combining EPR spectroscopy with theoretical calculations. The Li atoms adsorbed to MgO terrace sites show a reduction of the isotropic hyperfine coupling constant by approximately 50% with respect to Li atoms in the gas phase. In combination with theoretical calculations it can be shown that this reduction of the hyperfine coupling constant is not due to a charge transfer between Li and MgO but can be understood by a polarization of the Li atoms which are essentially neutral.