What can we exactly learn from the XPS measurement of the orientation-resolved surface core level shift?

• 1、School of Electrical and Electronic Engineering ,Nanyang Technological University

Abstract：We demonstrated that theoretical reproduction of the Ru(0001) and Ru(10 0) surface X-ray photoelectron emission, for example, can elucidate the following information: (i) the 3d5/2 energy level of an isolated Ru atom = 275.883刡0.002 eV; (ii) the positive shift of = 3.661 eV from upon bulk formation; (iii) the functional expression for the coordination z resolved energy shift: with being the z-dependant bond contraction coefficient of different layers and orientations; (iv) the effective atomic coordination numbers of the surface layers; (v) the z-dependence of the lattice strain, binding energy density gain, and atomic cohesive energy remnant in the surfaces up to skin depth; and importantly, (vi) the physical origin for the positive core level shift as arise from the perturbation of the Hamiltonian by the shorter and stronger bonds between under-coordinated atoms.

keywords： XPS core level shift surface Ru binding energy

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