화학공학소재연구정보센터
Chemical Physics Letters, Vol.475, No.4-6, 227-231, 2009
Multiple K-shell excitation of lithium clusters: Implications for hollow-atom solids
Systematic molecular-orbital calculations are performed for Li-9(z+) clusters in which N-exc (=0-9) core electrons are excited to valence orbitals. For neutral (z = 0) clusters, the magnitudes of work functions, cohesive energies, and average core-electron excitation energies increase with Nexc, owing to relaxation of valence electrons around localized core holes. Total energy of a multiply charge ion, produced by a series of Auger decay, remains lower than the corresponding dissociation limit as far as z <= 3. We thereby discuss a possibility of realizing a hollow-atom solid, multiply core-excited state with temporal crystalline order, by utilizing intense free-electron lasers. (C) 2009 Elsevier B. V. All rights reserved.