Phys. Rev. Lett. 89, 213402 (2002) [4 pages]Electron Binding Energies of Anionic Magnesium Clusters and the Nonmetal-to-Metal TransitionSee Also: Erratum Received 2 January 2002; published 1 November 2002 The binding energies of the two most external electrons in Mgn-, n=2–22, clusters are computed using the gradient-corrected density functional theory and a new scheme for converting the Kohn-Sham eigenenergies into electron removal energies. The computations are performed for the anionic clusters considered in the most stable configurations of both Mgn- and Mgn. The results are compared with photoelectron spectroscopy data [ O. C. Thomas et al. Phys. Rev. Lett. 89 213403 (2002)], and their implications for the finite-size analog of the nonmetal-to-metal transition are analyzed. © 2002 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.89.213402
DOI:
10.1103/PhysRevLett.89.213402
PACS:
36.40.–c, 31.15.Ew, 33.60.–q, 71.30.+h
See AlsoErratum: Owen C. Thomas, Weijun Zheng, Shoujun Xu, and Kit H. Bowen, Erratum: Onset of Metallic Behavior in Magnesium Clusters [Phys. Rev. Lett. 89, 213403 (2002)], Phys. Rev. Lett. 97, 139905 (2006). |
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