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

机译:Li原子沉积在MgO(001)单晶表面上。实验与理论相结合的研究

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In this Letter the interaction of Li atoms with terrace sites of MgO(001) 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. (C) 2007 Elsevier B.V. All rights reserved.
机译:在这封信中,通过结合EPR光谱和理论计算来表征Li原子与MgO(001)表面平台部位的相互作用。相对于气相中的Li原子,吸附到MgO平台部位的Li原子表现出各向同性的超精细偶合常数降低了约50%。结合理论计算可以看出,这种超精细耦合常数的降低不是由于Li和MgO之间的电荷转移,而是可以通过基本上为中性的Li原子的极化来理解的。 (C)2007 Elsevier B.V.保留所有权利。

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