Real-space representation of electron localization and shell structure in jelliumlike clusters

Q. Sun, Q. Wang, J. Z. Yu, V. Kumar, Y. Kawazoe

Research output: Contribution to journalArticlepeer-review

28 Citations (Scopus)

Abstract

Results of first-principles calculations on pure and doped aluminum clusters are analyzed using the electron localization function (ELF) to obtain a real-space representation of the electronic shell structure. Our results provide a quantitative analysis of the bonding nature and localization of charge in jelliumlike metal clusters and show that similar to atoms, ELF reproduces the electronic shell structure of clusters in real space.

Original languageEnglish
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume63
Issue number19
DOIs
Publication statusPublished - 2001 Apr 26

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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