A First‐Principles Pseudopotential Model for the Strong Intrasite Interaction Applied to the 4f<sup>13</sup> Configuration (Yb<inf>2</inf>O<inf>3</inf>)

Research output: Contribution to journalArticleResearchpeer-review

7 Citations (Scopus)

Abstract

The intrasite e—e interaction is included within the band structure model by means of a first principles pseudopotential method which is valid for integral and non integral configuration. The pseudopotential is applied to Yb2O3, appearing in the semiconducting phase when one takes into account the screened 4f—4f interaction. The conduction band after the metal—semiconductor transition corresponds to the fulfilled 4f shell and this seems clearly mixed with the p, d bands. Moreover, the mechanism is analyzed for the delocalization and spread of the 4f excited states. Copyright © 1984 WILEY‐VCH Verlag GmbH & Co. KGaA
Original languageEnglish
Pages (from-to)219-228
Journalphysica status solidi (b)
Volume123
DOIs
Publication statusPublished - 1 Jan 1984

Fingerprint Dive into the research topics of 'A First‐Principles Pseudopotential Model for the Strong Intrasite Interaction Applied to the 4f<sup>13</sup> Configuration (Yb<inf>2</inf>O<inf>3</inf>)'. Together they form a unique fingerprint.

  • Cite this