原子配位缺欠所致表面和纳米固体深层能级迁移.pdfVIP

Surface and Nanosolid Core-Level Shift: Impact of Atomic Coordination Number Imperfection * Chang Q. Sun School of Electric and Electronic Engineering, Nanyang Technological University, Singapore 639798 Identifying the origin for core-level binding-energy shift induced by surface relaxation or nanosolid formation, and quantifying the crystal binding energy in a bulk solid has been a high challenge. Here we show that a recent bond order-length-strength (BOLS) correlation mechanism allows us to unify the effects of surface relaxation and nanosolid formation on the core-level binding-energy shift into the atomic coordination number (CN) imperfection. A new and simple method has been developed that enables us to elucidate the intra-atomic trapping energy (the core-level position of an isolated atom) and the crystal binding strength (core-level bulk shift) to the core electrons at the energy levels of Si and a number of metals by matching the predictions to the measurements. • E-mail: ecqsun@.sg; Fax: 65 6792 0415; • URL: .sg/home/ecqsun/rtf/PRB-CL.pdf Introduction Unlike the valence density-of-states that provides direct information about charge transportation during reaction,1 the energy shift of a core-level of an isolated atom gives profound information about the crystal binding strength that is dominated by inter-atomic interaction. Spontaneous processes such as alteration of the bond nature and relaxation of t